#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggy n GLY 9 N 0.00 2.99 5.00 7.13 0.00 -1.26 -4.06 105.19 114.99 1ggy n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ggy n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggy n GLY 10 N -2.00 0.84 0.13 -0.02 0.00 -1.26 -4.05 105.19 98.84 1ggy n GLY 10 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1ggy n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ggy h ARG 11 N 0.00 0.42 -4.84 1.61 9.65 -2.02 -3.47 114.38 115.73 1ggy h ARG 11 Ca 0.00 -0.72 -0.28 0.00 -1.10 0.00 0.00 59.98 57.89 1ggy h ARG 11 Cb 0.00 0.27 -0.16 0.00 -1.39 0.00 0.00 29.97 28.69 1ggy h ARG 11 CO 0.00 1.34 -0.71 1.03 2.80 0.00 0.00 179.97 184.43 1ggy s ARG 12 N -2.52 0.88 -0.01 0.20 0.52 -1.26 -5.06 118.95 111.70 1ggy s ARG 12 Ca -0.12 -1.29 -0.21 0.00 -0.52 0.00 0.00 55.73 53.59 1ggy s ARG 12 Cb 0.03 -0.40 -0.24 0.00 0.52 0.00 0.00 34.95 34.86 1ggy s ARG 12 CO 0.88 0.04 1.07 0.00 0.02 0.00 0.00 175.30 177.30 1ggy h ALA 13 N 3.15 0.05 -4.29 2.13 0.00 -1.92 -3.35 119.26 115.02 1ggy h ALA 13 Ca -0.36 -0.57 -0.57 0.00 0.00 0.00 0.00 54.91 53.41 1ggy h ALA 13 Cb 1.18 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 1ggy h ALA 13 CO 0.60 0.31 -0.84 0.14 0.00 0.00 0.00 179.25 179.46 1ggy s VAL 14 N -3.11 1.48 0.68 0.00 -7.23 -1.26 -4.21 120.40 106.75 1ggy s VAL 14 Ca -0.14 -0.79 -0.17 0.00 -1.81 0.00 0.00 61.98 59.07 1ggy s VAL 14 Cb 0.03 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.73 1ggy s VAL 14 CO 0.81 0.42 1.17 -2.65 -0.31 0.00 0.00 175.10 174.54 1ggy n PRO 15 N 2.70 0.82 -1.85 4.82 -0.02 -1.26 -4.92 135.00 135.30 1ggy n PRO 15 Ca -0.15 0.34 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 1ggy n PRO 15 Cb 0.53 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1ggy n PRO 15 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ggy s PRO 16 N -3.40 3.14 -0.89 0.52 0.04 -1.26 -4.89 135.00 128.27 1ggy s PRO 16 Ca 0.79 2.14 -0.10 0.00 0.04 0.00 0.00 61.00 63.86 1ggy s PRO 16 Cb -0.36 -2.21 0.23 0.00 0.04 0.00 0.00 34.50 32.19 1ggy s PRO 16 CO 0.44 -1.16 0.82 1.21 0.04 0.00 0.00 177.00 178.36 1ggy s ASN 17 N -1.08 6.68 -0.08 6.66 2.47 -1.26 -4.82 114.94 123.51 1ggy s ASN 17 Ca 0.72 -3.04 0.11 0.00 0.42 0.00 0.00 52.86 51.08 1ggy s ASN 17 Cb -0.38 -2.15 0.18 0.00 -1.45 0.00 0.00 41.25 37.45 1ggy s ASN 17 CO 0.44 -0.44 1.09 -0.46 -3.72 0.00 0.00 177.10 174.01 1ggy n ASN 18 N 3.44 1.35 -3.83 -4.21 0.23 -1.26 -0.99 115.26 109.99 1ggy n ASN 18 Ca 0.16 -2.64 -0.25 0.00 -0.53 0.00 0.00 54.58 51.32 1ggy n ASN 18 Cb 0.43 -0.34 -0.17 0.00 -2.08 0.00 0.00 39.78 37.62 1ggy n ASN 18 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ggy s SER 19 N -2.10 1.96 0.47 0.53 0.15 -1.26 -3.66 113.70 109.78 1ggy s SER 19 Ca 0.19 -0.24 0.26 0.00 0.70 0.00 0.00 55.95 56.86 1ggy s SER 19 Cb 0.17 -0.63 0.62 0.00 -1.71 0.00 0.00 66.02 64.47 1ggy s SER 19 CO 0.01 -0.17 1.71 -1.13 1.20 0.00 0.00 173.24 174.87 1ggy h ASN 20 N 8.25 0.00 0.37 5.45 -0.00 -1.92 -3.19 115.58 124.54 1ggy h ASN 20 Ca -0.24 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 55.82 1ggy h ASN 20 Cb 1.13 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.45 1ggy h ASN 20 CO 0.33 0.01 -1.02 0.00 -0.00 0.00 0.00 177.43 176.75 1ggy h ALA 21 N 1.99 0.29 -2.82 1.57 0.00 -1.95 -3.41 119.26 114.93 1ggy h ALA 21 Ca -0.00 -0.74 -0.52 0.00 0.00 0.00 0.00 54.91 53.65 1ggy h ALA 21 Cb 0.87 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ggy h ALA 21 CO 0.00 0.83 0.58 0.00 0.00 0.00 0.00 179.25 180.66 1ggy s ALA 22 N -3.14 3.47 0.03 0.00 0.00 -1.21 -5.01 121.76 115.90 1ggy s ALA 22 Ca -0.06 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1ggy s ALA 22 Cb 0.08 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1ggy s ALA 22 CO 0.88 -0.45 -0.04 -1.83 0.00 0.00 0.00 175.76 174.31 1ggy s GLU 23 N -1.35 0.39 -0.05 0.00 -1.05 -1.26 -3.02 118.70 112.36 1ggy s GLU 23 Ca 0.49 -0.68 -0.00 0.00 -0.15 0.00 0.00 54.97 54.62 1ggy s GLU 23 Cb -0.36 -0.01 -0.03 0.00 -0.44 0.00 0.00 34.13 33.29 1ggy s GLU 23 CO 0.46 -0.02 -0.00 0.16 0.95 0.00 0.00 175.26 176.81 1ggy s ASP 24 N -1.57 5.16 -0.34 0.83 -4.77 -1.23 -4.75 116.67 110.01 1ggy s ASP 24 Ca -0.13 0.07 -0.27 0.00 -3.30 0.00 0.00 52.55 48.92 1ggy s ASP 24 Cb -0.09 -1.40 0.01 0.00 -1.09 0.00 0.00 42.92 40.35 1ggy s ASP 24 CO -0.01 0.33 0.96 -0.62 0.70 0.00 0.00 175.17 176.53 1ggy s ASP 25 N -1.18 6.78 0.23 2.11 -1.08 -1.26 -5.02 116.67 117.23 1ggy s ASP 25 Ca 0.16 0.79 -0.30 0.00 -0.52 0.00 0.00 52.55 52.68 1ggy s ASP 25 Cb -0.11 -2.48 -0.09 0.00 -1.46 0.00 0.00 42.92 38.77 1ggy s ASP 25 CO 0.06 -0.82 0.94 -0.76 0.52 0.00 0.00 175.17 175.11 1ggy s LEU 26 N 3.44 4.63 0.42 -1.34 1.43 -1.26 -5.03 118.68 120.97 1ggy s LEU 26 Ca 0.40 1.94 -0.24 0.00 -1.03 0.00 0.00 54.13 55.19 1ggy s LEU 26 Cb -0.12 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 1ggy s LEU 26 CO 0.16 0.14 1.12 -2.16 0.23 0.00 0.00 176.35 175.83 1ggy s PRO 27 N -1.06 4.02 0.16 1.29 0.04 -1.26 -4.90 135.00 133.29 1ggy s PRO 27 Ca 0.42 1.68 0.13 0.00 0.04 0.00 0.00 61.00 63.26 1ggy s PRO 27 Cb -0.26 -2.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.66 1ggy s PRO 27 CO 0.32 -0.31 1.19 1.79 0.04 0.00 0.00 177.00 180.03 1ggy h THR 28 N 2.14 1.00 -2.56 1.26 1.35 -1.88 -3.43 112.91 110.79 1ggy h THR 28 Ca -0.49 -2.53 -0.52 0.00 -0.55 0.00 0.00 66.41 62.33 1ggy h THR 28 Cb 1.23 2.45 -0.38 0.00 -1.73 0.00 0.00 68.15 69.72 1ggy h THR 28 CO 0.62 0.57 -0.79 0.54 -0.25 0.00 0.00 175.52 176.21 1ggy s VAL 29 N -2.85 -0.05 -0.41 6.82 0.11 -1.26 -0.10 120.40 122.66 1ggy s VAL 29 Ca 0.01 -1.15 -0.11 0.00 -2.93 0.00 0.00 61.98 57.81 1ggy s VAL 29 Cb 0.08 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.99 1ggy s VAL 29 CO 0.79 -0.80 0.26 -1.83 -3.33 0.00 0.00 175.10 170.19 1ggy s GLU 30 N 1.64 2.73 0.00 1.54 -1.05 -0.90 -5.00 118.70 117.66 1ggy s GLU 30 Ca 0.14 -1.33 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 1ggy s GLU 30 Cb -0.19 -3.82 0.00 0.00 -0.44 0.00 0.00 34.13 29.68 1ggy s GLU 30 CO -0.18 -0.89 0.00 1.47 0.95 0.00 0.00 175.26 176.61 1ggy n LEU 31 N 4.99 0.00 -2.43 1.83 -0.00 -1.26 -1.73 117.00 118.40 1ggy n LEU 31 Ca -0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.87 1ggy n LEU 31 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1ggy n LEU 31 CO 0.40 0.00 0.55 -1.84 -0.00 0.00 0.00 177.39 176.50 1ggy n GLU 43 N 0.00 0.23 -4.47 1.47 0.28 -1.26 -5.04 120.64 111.85 1ggy n GLU 43 Ca 0.00 -0.62 -0.22 0.00 -0.16 0.00 0.00 57.16 56.16 1ggy n GLU 43 Cb 0.00 0.01 -0.14 0.00 1.43 0.00 0.00 31.44 32.75 1ggy n GLU 43 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1ggy s PHE 44 N 0.03 1.44 0.00 -1.84 0.40 -1.26 -5.01 117.98 111.75 1ggy s PHE 44 Ca 0.04 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1ggy s PHE 44 Cb 0.08 -0.86 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1ggy s PHE 44 CO -0.02 0.05 0.00 -0.11 0.70 0.00 0.00 175.22 175.85 1ggy n LEU 45 N 1.92 0.00 -3.86 -0.37 7.94 -1.26 -4.89 117.00 116.48 1ggy n LEU 45 Ca -0.17 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.49 1ggy n LEU 45 Cb 0.54 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.32 1ggy n LEU 45 CO 0.23 0.00 -0.41 0.20 -1.11 0.00 0.00 177.39 176.30 1ggy s ASN 46 N 0.00 1.56 0.04 1.96 0.02 -1.26 -4.97 114.94 112.29 1ggy s ASN 46 Ca 0.00 -0.17 -0.29 0.00 -1.02 0.00 0.00 52.86 51.38 1ggy s ASN 46 Cb 0.00 -0.57 -0.04 0.00 0.02 0.00 0.00 41.25 40.65 1ggy s ASN 46 CO 0.00 -0.12 0.93 0.54 0.02 0.00 0.00 177.10 178.47 1ggy s VAL 47 N 1.49 4.74 -0.08 1.60 0.11 -1.26 0.11 120.40 127.12 1ggy s VAL 47 Ca -0.01 1.97 0.04 0.00 -2.93 0.00 0.00 61.98 61.04 1ggy s VAL 47 Cb -0.13 -4.28 -0.24 0.00 -1.53 0.00 0.00 36.38 30.20 1ggy s VAL 47 CO -0.04 0.24 0.51 0.35 -3.33 0.00 0.00 175.10 172.84 1ggy n THR 48 N 3.39 1.68 -3.57 5.04 -2.24 0.24 -4.88 114.28 113.95 1ggy n THR 48 Ca 0.03 -0.73 -0.07 0.00 -2.27 0.00 0.00 64.05 61.01 1ggy n THR 48 Cb 0.50 -1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 67.36 1ggy n THR 48 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ggy s SER 49 N -6.50 -0.25 0.06 3.42 1.04 -1.13 -5.00 113.70 105.33 1ggy s SER 49 Ca -0.13 0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.48 1ggy s SER 49 Cb 0.07 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1ggy s SER 49 CO 0.80 -0.35 -0.21 -0.69 0.98 0.00 0.00 173.24 173.77 1ggy s VAL 50 N -2.18 2.62 -0.11 5.02 1.01 -1.26 0.12 120.40 125.62 1ggy s VAL 50 Ca 0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1ggy s VAL 50 Cb -0.01 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1ggy s VAL 50 CO -0.05 0.29 -0.01 -1.00 0.00 0.00 0.00 175.10 174.33 1ggy s HIS 51 N -0.94 0.95 0.26 5.22 3.76 0.17 -4.95 115.29 119.76 1ggy s HIS 51 Ca 0.14 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.65 1ggy s HIS 51 Cb -0.10 -0.96 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 1ggy s HIS 51 CO 0.05 -0.44 0.32 -0.51 -0.85 0.00 0.00 174.74 173.32 1ggy s LEU 52 N 1.88 4.08 -0.89 0.89 1.43 -1.26 0.37 118.68 125.18 1ggy s LEU 52 Ca 0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1ggy s LEU 52 Cb -0.13 -2.65 0.31 0.00 0.03 0.00 0.00 46.19 43.74 1ggy s LEU 52 CO -0.06 -0.12 1.36 0.49 0.23 0.00 0.00 176.35 178.24 1ggy n PHE 53 N -1.37 3.02 0.00 0.29 3.72 -1.26 -4.88 117.46 116.99 1ggy n PHE 53 Ca -0.07 -3.13 0.00 0.00 -0.05 0.00 0.00 57.45 54.20 1ggy n PHE 53 Cb 0.58 -0.96 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 1ggy n PHE 53 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ggy n LYS 54 N 0.48 0.00 0.00 -1.08 5.02 -1.26 -4.06 118.16 117.25 1ggy n LYS 54 Ca 0.34 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1ggy n LYS 54 Cb 0.33 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 1ggy n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ggy n GLU 55 N -0.36 0.00 0.00 1.97 -0.58 -1.26 -4.18 120.64 116.23 1ggy n GLU 55 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ggy n GLU 55 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ggy n GLU 55 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ggy n ARG 56 N 0.00 0.00 0.00 3.49 1.74 -1.26 0.21 116.66 120.84 1ggy n ARG 56 Ca 0.00 0.08 0.10 0.00 -0.77 0.00 0.00 57.85 57.26 1ggy n ARG 56 Cb 0.00 -1.82 -0.09 0.00 -1.02 0.00 0.00 32.46 29.53 1ggy n ARG 56 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1ggy n TRP 57 N -0.99 0.03 -1.57 -1.55 2.14 -1.26 -4.48 117.44 109.75 1ggy n TRP 57 Ca 0.00 0.01 -0.29 0.00 2.07 0.00 0.00 57.50 59.29 1ggy n TRP 57 Cb 0.32 -0.15 0.13 0.00 -0.81 0.00 0.00 31.31 30.80 1ggy n TRP 57 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1ggy s ASP 58 N -3.36 3.63 0.22 -0.67 1.01 0.13 -4.85 116.67 112.78 1ggy s ASP 58 Ca 0.05 0.96 -0.09 0.00 0.71 0.00 0.00 52.55 54.19 1ggy s ASP 58 Cb 0.16 -1.54 0.19 0.00 1.01 0.00 0.00 42.92 42.74 1ggy s ASP 58 CO 0.86 -2.47 1.88 0.74 0.21 0.00 0.00 175.17 176.39 1ggy h THR 59 N -1.44 1.23 0.00 -1.27 2.02 -1.87 -2.17 112.91 109.40 1ggy h THR 59 Ca -0.50 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1ggy h THR 59 Cb 1.33 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1ggy h THR 59 CO 0.62 0.23 0.00 0.59 0.37 0.00 0.00 175.52 177.33 1ggy n ASN 60 N -4.47 0.00 -0.06 4.18 3.02 -1.26 -0.53 115.26 116.14 1ggy n ASN 60 Ca 0.09 0.81 0.01 0.00 -0.03 0.00 0.00 54.58 55.45 1ggy n ASN 60 Cb 0.03 -0.31 0.31 0.00 -0.61 0.00 0.00 39.78 39.20 1ggy n ASN 60 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ggy h LYS 61 N 0.00 0.67 0.74 3.52 1.57 -1.72 -1.66 116.57 119.69 1ggy h LYS 61 Ca 0.00 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1ggy h LYS 61 Cb 0.00 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.19 1ggy h LYS 61 CO 0.00 0.55 -0.35 0.28 -0.57 0.00 0.00 179.45 179.35 1ggy h VAL 62 N 0.67 0.00 -0.76 0.50 2.07 -1.36 -0.89 116.25 116.48 1ggy h VAL 62 Ca 0.17 -0.11 0.15 0.00 0.82 0.00 0.00 66.70 67.72 1ggy h VAL 62 Cb 0.11 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 1ggy h VAL 62 CO -0.02 0.00 0.50 0.44 0.02 0.00 0.00 177.57 178.52 1ggy h ASP 63 N -1.10 0.39 0.37 0.57 5.19 -0.69 0.26 116.42 121.40 1ggy h ASP 63 Ca -0.10 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1ggy h ASP 63 Cb 0.76 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1ggy h ASP 63 CO 0.17 0.20 -0.09 1.41 -3.12 0.00 0.00 179.24 177.81 1ggy n HIS 64 N -4.48 0.00 -3.08 4.55 8.25 -0.63 -4.93 115.22 114.90 1ggy n HIS 64 Ca 0.14 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.41 1ggy n HIS 64 Cb 0.53 -0.18 0.04 0.00 1.12 0.00 0.00 29.99 31.50 1ggy n HIS 64 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ggy n HIS 65 N -0.98 -1.93 -1.45 4.41 8.25 0.08 -4.59 115.22 119.00 1ggy n HIS 65 Ca 0.15 0.59 0.07 0.00 -0.26 0.00 0.00 57.72 58.27 1ggy n HIS 65 Cb 0.27 -4.13 0.13 0.00 1.12 0.00 0.00 29.99 27.38 1ggy n HIS 65 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ggy n THR 66 N -4.43 1.60 1.86 1.59 -2.24 -0.43 -4.75 114.28 107.48 1ggy n THR 66 Ca -0.06 -2.18 0.16 0.00 -2.27 0.00 0.00 64.05 59.70 1ggy n THR 66 Cb 0.58 -0.05 0.86 0.00 -2.10 0.00 0.00 70.33 69.62 1ggy n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ggy n ASP 67 N -1.02 0.25 0.04 3.42 5.75 -1.18 -3.69 116.55 120.13 1ggy n ASP 67 Ca 0.14 -1.00 0.02 0.00 -0.01 0.00 0.00 54.79 53.94 1ggy n ASP 67 Cb 0.70 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.70 1ggy n ASP 67 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ggy n LYS 68 N -0.84 0.62 -1.98 0.11 4.76 -1.26 -4.92 118.16 114.65 1ggy n LYS 68 Ca 0.22 0.20 -0.42 0.00 -2.87 0.00 0.00 58.31 55.44 1ggy n LYS 68 Cb 0.16 -1.80 -0.03 0.00 -1.84 0.00 0.00 35.03 31.52 1ggy n LYS 68 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ggy s TYR 69 N -3.01 3.01 -1.12 2.13 1.51 -1.24 -4.77 117.35 113.87 1ggy s TYR 69 Ca -0.03 0.65 -0.21 0.00 -1.01 0.00 0.00 57.07 56.47 1ggy s TYR 69 Cb 0.09 -3.89 0.04 0.00 -0.11 0.00 0.00 41.96 38.10 1ggy s TYR 69 CO 0.81 -3.28 1.61 -1.21 -1.11 0.00 0.00 175.55 172.37 1ggy s GLU 70 N 1.34 3.59 -0.23 -0.62 0.41 0.76 -4.81 118.70 119.14 1ggy s GLU 70 Ca 0.69 -1.36 -0.19 0.00 -0.41 0.00 0.00 54.97 53.71 1ggy s GLU 70 Cb -0.42 -5.39 0.06 0.00 -1.78 0.00 0.00 34.13 26.60 1ggy s GLU 70 CO 0.31 -2.41 0.59 1.21 -0.49 0.00 0.00 175.26 174.47 1ggy s ASN 71 N 5.04 -0.67 0.06 -0.19 3.84 -1.26 -4.30 114.94 117.46 1ggy s ASN 71 Ca 0.52 1.22 0.24 0.00 0.21 0.00 0.00 52.86 55.05 1ggy s ASN 71 Cb 0.01 1.20 0.25 0.00 -0.55 0.00 0.00 41.25 42.16 1ggy s ASN 71 CO -0.02 -0.21 1.21 -0.46 -2.79 0.00 0.00 177.10 174.83 1ggy n ASN 72 N 3.16 0.63 -4.86 -4.21 6.94 -1.26 -4.94 115.26 110.72 1ggy n ASN 72 Ca -0.16 -0.11 -0.30 0.00 -0.02 0.00 0.00 54.58 53.99 1ggy n ASN 72 Cb 0.56 0.45 0.05 0.00 -2.36 0.00 0.00 39.78 38.49 1ggy n ASN 72 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ggy s LYS 73 N -3.14 2.76 0.36 -3.83 -0.14 -1.26 -4.75 119.74 109.75 1ggy s LYS 73 Ca 0.06 0.59 -0.27 0.00 -1.36 0.00 0.00 55.97 54.99 1ggy s LYS 73 Cb 0.15 -2.00 -0.09 0.00 -1.68 0.00 0.00 37.83 34.20 1ggy s LYS 73 CO 0.75 -1.13 1.23 -1.17 -0.76 0.00 0.00 175.35 174.28 1ggy s LEU 74 N -5.46 4.32 -0.11 3.17 2.96 -1.26 -4.94 118.68 117.36 1ggy s LEU 74 Ca 0.58 2.51 -0.02 0.00 -0.22 0.00 0.00 54.13 56.99 1ggy s LEU 74 Cb -0.12 -3.83 0.04 0.00 0.50 0.00 0.00 46.19 42.78 1ggy s LEU 74 CO 0.53 -0.60 0.01 -0.63 -1.32 0.00 0.00 176.35 174.34 1ggy s ILE 75 N -1.26 0.42 0.07 6.68 1.01 -1.26 -1.78 121.20 125.08 1ggy s ILE 75 Ca 0.53 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.17 1ggy s ILE 75 Cb -0.35 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1ggy s ILE 75 CO 0.46 0.14 -0.17 0.68 0.00 0.00 0.00 174.94 176.04 1ggy s VAL 76 N 1.94 1.35 -0.16 2.92 -7.23 -0.66 -4.70 120.40 113.87 1ggy s VAL 76 Ca 0.03 -1.27 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 1ggy s VAL 76 Cb -0.14 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1ggy s VAL 76 CO -0.06 -0.06 0.46 -0.13 -0.31 0.00 0.00 175.10 175.00 1ggy s ARG 77 N -1.54 4.26 0.69 4.82 0.52 -1.26 -1.24 118.95 125.20 1ggy s ARG 77 Ca 0.03 0.37 -0.17 0.00 -0.52 0.00 0.00 55.73 55.44 1ggy s ARG 77 Cb -0.09 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 1ggy s ARG 77 CO 0.02 0.04 0.65 2.89 0.02 0.00 0.00 175.30 178.93 1ggy n ARG 78 N 4.12 0.43 -1.50 3.54 1.85 -0.38 -3.43 116.66 121.29 1ggy n ARG 78 Ca -0.07 0.19 -0.08 0.00 -1.00 0.00 0.00 57.85 56.89 1ggy n ARG 78 Cb 0.51 -1.91 -0.02 0.00 -1.05 0.00 0.00 32.46 29.98 1ggy n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ggy n GLY 79 N 1.53 0.70 2.96 2.89 0.00 -1.17 -4.62 105.19 107.47 1ggy n GLY 79 Ca 0.11 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1ggy n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ggy s GLN 80 N -3.17 0.22 0.41 1.61 0.74 -1.22 -4.84 119.66 113.41 1ggy s GLN 80 Ca 0.00 -0.39 -0.22 0.00 0.05 0.00 0.00 55.36 54.80 1ggy s GLN 80 Cb 0.00 0.08 -0.10 0.00 1.10 0.00 0.00 33.01 34.09 1ggy s GLN 80 CO 0.00 -0.04 0.97 -1.54 -0.55 0.00 0.00 175.29 174.14 1ggy s SER 81 N -0.96 6.91 0.08 6.67 1.04 -1.26 -4.15 113.70 122.03 1ggy s SER 81 Ca -0.11 1.80 -0.02 0.00 0.48 0.00 0.00 55.95 58.11 1ggy s SER 81 Cb -0.07 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1ggy s SER 81 CO -0.01 -0.38 0.01 0.72 0.98 0.00 0.00 173.24 174.57 1ggy s PHE 82 N -1.96 0.59 0.13 5.02 -0.71 0.48 -4.96 117.98 116.56 1ggy s PHE 82 Ca 0.60 -1.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 1ggy s PHE 82 Cb -0.14 -0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 1ggy s PHE 82 CO 0.18 -0.43 0.20 0.71 -1.34 0.00 0.00 175.22 174.54 1ggy s TYR 83 N -3.95 3.35 0.12 3.49 2.02 -1.26 -0.58 117.35 120.54 1ggy s TYR 83 Ca 0.12 0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.74 1ggy s TYR 83 Cb 0.08 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1ggy s TYR 83 CO -0.07 0.53 0.42 0.14 -1.57 0.00 0.00 175.55 175.01 1ggy s VAL 84 N -1.66 0.06 -0.06 0.71 -7.23 -0.95 -4.07 120.40 107.21 1ggy s VAL 84 Ca 0.33 -0.51 -0.02 0.00 -1.81 0.00 0.00 61.98 59.97 1ggy s VAL 84 Cb -0.11 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.73 1ggy s VAL 84 CO 0.26 -0.28 0.11 -1.58 -0.31 0.00 0.00 175.10 173.30 1ggy s GLN 85 N -3.66 0.00 -0.05 4.82 0.74 0.16 -0.62 119.66 121.05 1ggy s GLN 85 Ca 0.02 0.40 -0.01 0.00 0.05 0.00 0.00 55.36 55.82 1ggy s GLN 85 Cb 0.01 -0.31 -0.04 0.00 1.10 0.00 0.00 33.01 33.78 1ggy s GLN 85 CO -0.11 -0.25 0.04 0.42 -0.55 0.00 0.00 175.29 174.83 1ggy s ILE 86 N 1.76 4.50 -0.18 -2.34 1.09 -0.57 0.45 121.20 125.91 1ggy s ILE 86 Ca -0.02 -0.33 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 1ggy s ILE 86 Cb -0.12 -2.97 0.01 0.00 -1.06 0.00 0.00 42.46 38.31 1ggy s ILE 86 CO -0.05 0.48 -0.16 -1.81 -0.10 0.00 0.00 174.94 173.31 1ggy s ASP 87 N -1.29 3.51 0.23 3.58 1.11 0.12 -1.11 116.67 122.80 1ggy s ASP 87 Ca 0.18 -0.54 0.06 0.00 0.18 0.00 0.00 52.55 52.43 1ggy s ASP 87 Cb -0.12 -1.55 -0.04 0.00 1.07 0.00 0.00 42.92 42.29 1ggy s ASP 87 CO 0.08 0.03 0.20 -0.36 1.18 0.00 0.00 175.17 176.30 1ggy s PHE 88 N 1.13 3.17 0.56 4.23 0.08 -0.81 0.82 117.98 127.16 1ggy s PHE 88 Ca 0.01 -0.07 0.35 0.00 0.12 0.00 0.00 56.93 57.34 1ggy s PHE 88 Cb -0.14 -1.46 1.96 0.00 -0.57 0.00 0.00 43.02 42.81 1ggy s PHE 88 CO -0.06 0.51 2.25 0.66 -0.10 0.00 0.00 175.22 178.48 1ggy h SER 89 N 1.70 0.00 -5.08 1.36 4.64 0.53 -3.43 113.55 113.28 1ggy h SER 89 Ca -0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 1ggy h SER 89 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 1ggy h SER 89 CO 0.62 0.02 -0.20 0.00 -0.87 0.00 0.00 176.83 176.40 1ggy s ARG 90 N -4.32 0.91 0.25 4.77 1.70 -1.26 -5.01 118.95 116.00 1ggy s ARG 90 Ca -0.04 -0.65 -0.31 0.00 -0.47 0.00 0.00 55.73 54.25 1ggy s ARG 90 Cb 0.14 0.39 -0.13 0.00 -0.57 0.00 0.00 34.95 34.78 1ggy s ARG 90 CO 0.50 -0.32 1.51 -0.35 -1.08 0.00 0.00 175.30 175.56 1ggy n PRO 91 N 0.17 2.32 -2.01 3.89 -0.04 -1.26 -4.80 135.00 133.28 1ggy n PRO 91 Ca -0.17 0.83 -0.41 0.00 -0.04 0.00 0.00 63.50 63.70 1ggy n PRO 91 Cb 0.61 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 1ggy n PRO 91 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ggy s TYR 92 N 0.11 3.03 -0.21 0.54 5.04 -1.26 -4.99 117.35 119.60 1ggy s TYR 92 Ca 0.68 0.99 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1ggy s TYR 92 Cb -0.59 -3.83 0.04 0.00 0.35 0.00 0.00 41.96 37.94 1ggy s TYR 92 CO 0.47 -2.72 -0.12 0.34 -1.34 0.00 0.00 175.55 172.18 1ggy s ASP 93 N 0.44 3.65 0.00 4.32 2.15 -1.26 -4.99 116.67 120.98 1ggy s ASP 93 Ca 0.60 -0.99 0.01 0.00 0.43 0.00 0.00 52.55 52.60 1ggy s ASP 93 Cb -0.42 -1.37 0.08 0.00 -0.30 0.00 0.00 42.92 40.92 1ggy s ASP 93 CO 0.42 -0.13 0.33 -0.81 -0.17 0.00 0.00 175.17 174.81 1ggy n PRO 94 N 4.60 0.19 -0.03 4.34 -0.04 -1.26 -1.93 135.00 140.87 1ggy n PRO 94 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 1ggy n PRO 94 Cb 0.46 -1.11 -0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1ggy n PRO 94 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ggy h ARG 95 N 0.00 0.00 -0.16 0.54 2.43 -2.01 -3.41 114.38 111.78 1ggy h ARG 95 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1ggy h ARG 95 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1ggy h ARG 95 CO 0.00 0.00 -0.15 2.89 -1.51 0.00 0.00 179.97 181.20 1ggy n ARG 96 N -3.62 1.84 -5.13 0.20 -4.01 -1.19 -5.01 116.66 99.74 1ggy n ARG 96 Ca -0.01 -2.99 -0.32 0.00 -1.04 0.00 0.00 57.85 53.49 1ggy n ARG 96 Cb 0.03 -1.69 -0.16 0.00 -3.04 0.00 0.00 32.46 27.60 1ggy n ARG 96 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1ggy s ASP 97 N -2.68 3.35 -0.04 2.89 1.01 -0.81 -4.96 116.67 115.43 1ggy s ASP 97 Ca 0.39 -0.45 -0.01 0.00 0.71 0.00 0.00 52.55 53.20 1ggy s ASP 97 Cb 0.35 -1.04 0.03 0.00 1.01 0.00 0.00 42.92 43.27 1ggy s ASP 97 CO 0.01 0.24 0.02 -0.22 0.21 0.00 0.00 175.17 175.42 1ggy s LEU 98 N -0.09 0.81 0.15 1.23 2.96 -1.26 -4.78 118.68 117.69 1ggy s LEU 98 Ca -0.05 0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.67 1ggy s LEU 98 Cb -0.14 -0.20 0.05 0.00 0.50 0.00 0.00 46.19 46.40 1ggy s LEU 98 CO 0.04 -0.16 0.50 0.72 -1.32 0.00 0.00 176.35 176.14 1ggy s PHE 99 N 1.45 -0.35 -0.02 5.38 -0.71 -1.26 -2.44 117.98 120.03 1ggy s PHE 99 Ca -0.04 0.08 -0.23 0.00 -1.04 0.00 0.00 56.93 55.70 1ggy s PHE 99 Cb -0.13 0.41 0.05 0.00 -1.21 0.00 0.00 43.02 42.14 1ggy s PHE 99 CO -0.03 -0.79 0.50 -0.98 -1.34 0.00 0.00 175.22 172.59 1ggy s ARG 100 N -3.78 0.89 -0.06 1.99 1.70 -0.23 -4.45 118.95 115.01 1ggy s ARG 100 Ca 0.02 0.01 -0.22 0.00 -0.47 0.00 0.00 55.73 55.07 1ggy s ARG 100 Cb 0.00 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1ggy s ARG 100 CO -0.12 -0.27 0.66 0.08 -1.08 0.00 0.00 175.30 174.57 1ggy s VAL 101 N -1.40 5.03 -0.08 4.99 1.01 -0.98 -0.88 120.40 128.10 1ggy s VAL 101 Ca -0.11 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.26 1ggy s VAL 101 Cb -0.02 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1ggy s VAL 101 CO 0.06 0.29 -0.15 -1.61 0.00 0.00 0.00 175.10 173.69 1ggy s GLU 102 N 0.61 2.84 -0.18 2.72 2.02 -0.99 0.12 118.70 125.85 1ggy s GLU 102 Ca 0.35 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.63 1ggy s GLU 102 Cb -0.18 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1ggy s GLU 102 CO 0.17 0.45 -0.15 0.71 0.02 0.00 0.00 175.26 176.47 1ggy s TYR 103 N -0.28 2.81 0.08 1.61 2.02 0.78 -1.01 117.35 123.36 1ggy s TYR 103 Ca 0.02 -1.23 0.07 0.00 -0.37 0.00 0.00 57.07 55.56 1ggy s TYR 103 Cb -0.13 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1ggy s TYR 103 CO 0.03 -0.61 -0.18 0.14 -1.57 0.00 0.00 175.55 173.36 1ggy s VAL 104 N 1.10 1.47 -0.01 0.71 -7.23 -0.54 -0.68 120.40 115.23 1ggy s VAL 104 Ca 0.00 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1ggy s VAL 104 Cb -0.14 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.45 1ggy s VAL 104 CO -0.05 -0.10 -0.01 -0.51 -0.31 0.00 0.00 175.10 174.12 1ggy s ILE 105 N -1.16 0.15 0.00 -0.62 2.07 -0.72 -0.67 121.20 120.25 1ggy s ILE 105 Ca 0.03 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ggy s ILE 105 Cb -0.10 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1ggy s ILE 105 CO 0.03 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 1ggy n GLY 106 N 3.33 -2.57 0.09 1.50 0.00 -1.24 -4.37 105.19 101.92 1ggy n GLY 106 Ca -0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 1ggy n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ggy n ARG 107 N -0.40 0.64 -3.48 1.61 0.63 -1.17 -3.51 116.66 110.98 1ggy n ARG 107 Ca 0.00 0.14 -0.27 0.00 -0.92 0.00 0.00 57.85 56.79 1ggy n ARG 107 Cb 0.00 -1.72 -0.08 0.00 0.45 0.00 0.00 32.46 31.10 1ggy n ARG 107 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ggy n TYR 108 N -2.80 3.61 -2.15 -0.14 4.01 -1.26 -4.39 117.16 114.03 1ggy n TYR 108 Ca -0.13 -4.17 -0.37 0.00 -0.16 0.00 0.00 57.90 53.07 1ggy n TYR 108 Cb 0.87 -0.58 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1ggy n TYR 108 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1ggy s PRO 109 N -2.36 3.52 -0.19 -0.72 0.02 -1.26 -4.80 135.00 129.21 1ggy s PRO 109 Ca 0.38 1.84 -0.06 0.00 0.02 0.00 0.00 61.00 63.18 1ggy s PRO 109 Cb 0.12 -2.28 0.09 0.00 0.02 0.00 0.00 34.50 32.45 1ggy s PRO 109 CO -0.03 -0.77 0.38 -0.65 -0.33 0.00 0.00 177.00 175.60 1ggy s GLN 110 N -2.87 0.28 0.50 5.54 -0.21 -1.26 -4.90 119.66 116.74 1ggy s GLN 110 Ca 0.68 0.94 0.20 0.00 0.02 0.00 0.00 55.36 57.20 1ggy s GLN 110 Cb -0.30 0.19 1.28 0.00 1.00 0.00 0.00 33.01 35.17 1ggy s GLN 110 CO 0.36 -0.29 2.02 1.49 -2.12 0.00 0.00 175.29 176.75 1ggy h GLU 111 N 8.20 0.10 -0.62 2.91 4.81 -1.90 0.13 114.58 128.20 1ggy h GLU 111 Ca -0.16 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1ggy h GLU 111 Cb 1.11 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 1ggy h GLU 111 CO 0.13 0.07 0.36 -0.97 -0.73 0.00 0.00 179.01 177.88 1ggy h ASN 112 N 0.11 0.57 -0.20 1.04 -0.73 -1.94 -2.94 115.58 111.49 1ggy h ASN 112 Ca 0.21 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1ggy h ASN 112 Cb 0.70 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1ggy h ASN 112 CO -0.02 0.39 0.00 0.29 -0.37 0.00 0.00 177.43 177.71 1ggy n LYS 113 N -4.76 1.82 -0.99 6.67 4.76 0.39 -4.93 118.16 121.12 1ggy n LYS 113 Ca 0.07 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.27 1ggy n LYS 113 Cb 0.12 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1ggy n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ggy n GLY 114 N 1.17 0.86 0.91 0.72 0.00 -0.90 -4.61 105.19 103.34 1ggy n GLY 114 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1ggy n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ggy n THR 115 N -2.20 0.43 -3.64 2.61 -2.24 -1.03 -4.65 114.28 103.56 1ggy n THR 115 Ca 0.00 -0.59 -0.27 0.00 -2.27 0.00 0.00 64.05 60.92 1ggy n THR 115 Cb 0.00 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 68.72 1ggy n THR 115 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ggy s TYR 116 N -1.57 0.43 -0.33 4.78 6.14 -1.20 -1.75 117.35 123.85 1ggy s TYR 116 Ca 0.36 -0.51 0.00 0.00 0.64 0.00 0.00 57.07 57.56 1ggy s TYR 116 Cb 0.20 -0.81 0.08 0.00 0.42 0.00 0.00 41.96 41.85 1ggy s TYR 116 CO 0.28 -0.56 0.04 0.42 0.64 0.00 0.00 175.55 176.37 1ggy s ILE 117 N 2.06 2.74 -0.49 3.14 1.09 0.14 -4.06 121.20 125.83 1ggy s ILE 117 Ca 0.02 -1.82 -0.20 0.00 -1.10 0.00 0.00 60.65 57.55 1ggy s ILE 117 Cb -0.16 -2.76 0.05 0.00 -1.06 0.00 0.00 42.46 38.52 1ggy s ILE 117 CO -0.11 -0.35 0.63 -2.16 -0.10 0.00 0.00 174.94 172.85 1ggy s PRO 118 N 1.11 3.17 -0.44 2.79 0.04 -1.26 -0.16 135.00 140.26 1ggy s PRO 118 Ca 0.01 -0.71 -0.26 0.00 0.04 0.00 0.00 61.00 60.08 1ggy s PRO 118 Cb -0.20 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.31 1ggy s PRO 118 CO -0.04 -1.15 0.96 0.08 0.04 0.00 0.00 177.00 176.89 1ggy s VAL 119 N 2.72 4.46 0.32 -0.36 1.01 0.32 -4.96 120.40 123.91 1ggy s VAL 119 Ca 0.18 0.95 -0.08 0.00 0.00 0.00 0.00 61.98 63.03 1ggy s VAL 119 Cb -0.17 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.71 1ggy s VAL 119 CO 0.14 -0.78 0.64 -2.16 0.00 0.00 0.00 175.10 172.95 1ggy s PRO 120 N 3.79 3.74 0.09 2.72 0.04 -1.26 -2.31 135.00 141.80 1ggy s PRO 120 Ca 0.39 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 1ggy s PRO 120 Cb -0.10 -2.54 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1ggy s PRO 120 CO 0.25 0.14 1.13 0.42 0.04 0.00 0.00 177.00 178.98 1ggy s ILE 121 N -2.14 4.13 0.10 0.56 -1.09 -1.26 -2.07 121.20 119.43 1ggy s ILE 121 Ca 0.48 1.61 0.07 0.00 -2.23 0.00 0.00 60.65 60.58 1ggy s ILE 121 Cb -0.11 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1ggy s ILE 121 CO 0.28 0.17 -0.17 0.68 -1.23 0.00 0.00 174.94 174.67 1ggy s VAL 122 N 0.66 1.48 0.13 2.92 -7.23 -0.58 -4.91 120.40 112.88 1ggy s VAL 122 Ca 0.55 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 1ggy s VAL 122 Cb -0.28 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1ggy s VAL 122 CO 0.31 -0.20 1.46 0.28 -0.31 0.00 0.00 175.10 176.64 1ggy h SER 123 N 3.93 0.94 -4.67 4.85 0.02 -1.95 -3.37 113.55 113.29 1ggy h SER 123 Ca -0.43 -0.46 -0.23 0.00 -0.84 0.00 0.00 61.79 59.83 1ggy h SER 123 Cb 1.19 -0.26 -0.16 0.00 0.14 0.00 0.00 62.40 63.30 1ggy h SER 123 CO 0.43 1.21 -0.70 -0.70 -1.14 0.00 0.00 176.83 175.92 1ggy s GLU 124 N -4.41 0.76 -0.24 3.45 2.56 -1.26 -4.81 118.70 114.74 1ggy s GLU 124 Ca -0.11 -1.21 -0.15 0.00 0.00 0.00 0.00 54.97 53.50 1ggy s GLU 124 Cb 0.11 -0.20 -0.04 0.00 2.00 0.00 0.00 34.13 36.00 1ggy s GLU 124 CO 0.87 -0.01 0.36 -0.51 -0.56 0.00 0.00 175.26 175.41 1ggy s LEU 125 N -2.72 4.09 0.51 2.70 1.43 -1.26 -4.94 118.68 118.48 1ggy s LEU 125 Ca 0.07 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.43 1ggy s LEU 125 Cb 0.02 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1ggy s LEU 125 CO -0.04 -0.12 0.88 -1.10 0.23 0.00 0.00 176.35 176.20 1ggy s GLN 126 N 1.70 3.65 -0.06 1.70 1.11 -1.26 -5.02 119.66 121.48 1ggy s GLN 126 Ca 0.16 0.51 -0.30 0.00 0.01 0.00 0.00 55.36 55.74 1ggy s GLN 126 Cb -0.15 -2.26 -0.02 0.00 -1.01 0.00 0.00 33.01 29.57 1ggy s GLN 126 CO 0.09 -0.29 1.08 -1.12 0.01 0.00 0.00 175.29 175.06 1ggy s SER 127 N -3.82 7.18 0.00 5.90 0.01 -1.26 -3.70 113.70 118.02 1ggy s SER 127 Ca 0.52 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1ggy s SER 127 Cb -0.10 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1ggy s SER 127 CO 0.43 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1ggy n GLY 128 N 3.17 0.62 3.20 3.44 0.00 -1.26 -5.05 105.19 109.30 1ggy n GLY 128 Ca 0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1ggy n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ggy s LYS 129 N -0.28 0.89 0.58 1.61 1.02 -1.24 -4.52 119.74 117.80 1ggy s LYS 129 Ca 0.00 -1.02 -0.18 0.00 0.02 0.00 0.00 55.97 54.79 1ggy s LYS 129 Cb 0.00 -0.93 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 1ggy s LYS 129 CO 0.00 0.20 1.12 -1.58 -0.92 0.00 0.00 175.35 174.17 1ggy s TRP 130 N -1.37 2.68 0.00 3.18 0.52 -1.26 -4.41 118.94 118.28 1ggy s TRP 130 Ca 0.01 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.67 1ggy s TRP 130 Cb -0.09 -3.23 0.00 0.00 -1.15 0.00 0.00 33.47 29.00 1ggy s TRP 130 CO 0.03 -1.56 0.00 0.41 0.02 0.00 0.00 176.95 175.85 1ggy n GLY 131 N -0.14 2.55 3.02 0.98 0.00 -1.01 -4.79 105.19 105.80 1ggy n GLY 131 Ca 0.11 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1ggy n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggy s ALA 132 N -1.91 1.89 -0.06 4.61 0.00 -0.88 -1.30 121.76 124.11 1ggy s ALA 132 Ca 0.00 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 1ggy s ALA 132 Cb 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1ggy s ALA 132 CO 0.00 -0.45 0.49 0.21 0.00 0.00 0.00 175.76 176.01 1ggy s LYS 133 N 1.47 4.25 -0.27 0.00 2.20 -0.67 -1.53 119.74 125.19 1ggy s LYS 133 Ca 0.04 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 55.87 1ggy s LYS 133 Cb -0.13 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1ggy s LYS 133 CO -0.10 0.32 1.26 0.42 -0.36 0.00 0.00 175.35 176.88 1ggy s ILE 134 N 0.07 4.23 -0.94 5.43 1.01 -1.26 -1.68 121.20 128.07 1ggy s ILE 134 Ca 0.27 1.42 0.22 0.00 0.00 0.00 0.00 60.65 62.56 1ggy s ILE 134 Cb -0.16 -4.16 -0.19 0.00 0.01 0.00 0.00 42.46 37.96 1ggy s ILE 134 CO 0.13 -0.40 0.98 0.55 0.00 0.00 0.00 174.94 176.20 1ggy n VAL 135 N 5.97 0.01 0.00 2.92 3.14 0.28 -4.97 118.33 125.67 1ggy n VAL 135 Ca 0.14 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1ggy n VAL 135 Cb 0.46 0.78 0.00 0.00 -1.06 0.00 0.00 33.84 34.02 1ggy n VAL 135 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1ggy n MET 136 N -1.56 0.00 -3.84 1.45 0.00 -1.08 -4.99 117.12 107.10 1ggy n MET 136 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.70 57.61 1ggy n MET 136 Cb 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.43 1ggy n MET 136 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1ggy s ARG 137 N -1.57 0.07 0.00 2.12 1.70 -1.26 0.40 118.95 120.41 1ggy s ARG 137 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 1ggy s ARG 137 Cb 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 1ggy s ARG 137 CO 0.00 -0.02 0.00 0.39 -1.08 0.00 0.00 175.30 174.59 1ggy n GLU 138 N 3.14 0.12 -1.53 3.89 1.02 -0.38 -5.00 120.64 121.90 1ggy n GLU 138 Ca -0.13 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.83 1ggy n GLU 138 Cb 0.59 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.87 1ggy n GLU 138 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ggy n ASP 139 N 0.00 0.44 -3.61 1.62 2.03 -1.26 -2.65 116.55 113.12 1ggy n ASP 139 Ca 0.00 -1.06 -0.26 0.00 0.52 0.00 0.00 54.79 54.00 1ggy n ASP 139 Cb 0.00 -1.18 0.06 0.00 -0.72 0.00 0.00 41.12 39.27 1ggy n ASP 139 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ggy n ARG 140 N 7.45 -6.78 -3.73 -0.67 1.85 -1.26 -4.97 116.66 108.55 1ggy n ARG 140 Ca 0.56 0.76 -0.12 0.00 -1.00 0.00 0.00 57.85 58.05 1ggy n ARG 140 Cb 0.31 -5.74 -0.11 0.00 -1.05 0.00 0.00 32.46 25.86 1ggy n ARG 140 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1ggy s SER 141 N -3.22 -0.40 -0.09 2.89 0.01 -1.08 -1.92 113.70 109.90 1ggy s SER 141 Ca 0.57 0.73 0.02 0.00 1.31 0.00 0.00 55.95 58.58 1ggy s SER 141 Cb -0.26 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 1ggy s SER 141 CO 0.71 -0.16 -0.13 -0.69 0.41 0.00 0.00 173.24 173.38 1ggy s VAL 142 N 0.90 3.16 -0.32 3.43 1.01 -0.27 -1.25 120.40 127.05 1ggy s VAL 142 Ca -0.06 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1ggy s VAL 142 Cb -0.07 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ggy s VAL 142 CO -0.07 0.56 0.10 -0.60 0.00 0.00 0.00 175.10 175.09 1ggy s ARG 143 N -0.27 2.79 0.19 2.72 6.06 0.16 -1.52 118.95 129.09 1ggy s ARG 143 Ca 0.02 -1.06 0.00 0.00 -2.50 0.00 0.00 55.73 52.19 1ggy s ARG 143 Cb -0.13 -3.43 -0.04 0.00 0.06 0.00 0.00 34.95 31.42 1ggy s ARG 143 CO 0.03 -0.58 0.36 -0.51 -2.50 0.00 0.00 175.30 172.09 1ggy s LEU 144 N 1.44 4.26 -0.36 -0.88 1.43 0.21 -0.56 118.68 124.22 1ggy s LEU 144 Ca -0.00 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1ggy s LEU 144 Cb -0.19 -3.09 0.11 0.00 0.03 0.00 0.00 46.19 43.06 1ggy s LEU 144 CO 0.03 -0.02 0.14 -0.55 0.23 0.00 0.00 176.35 176.18 1ggy s SER 145 N -3.21 4.04 0.20 2.29 0.15 -0.68 -2.25 113.70 114.25 1ggy s SER 145 Ca 0.37 -2.08 -0.16 0.00 0.70 0.00 0.00 55.95 54.78 1ggy s SER 145 Cb -0.11 -1.07 -0.08 0.00 -1.71 0.00 0.00 66.02 63.06 1ggy s SER 145 CO 0.29 -0.36 0.63 -0.63 1.20 0.00 0.00 173.24 174.38 1ggy s ILE 146 N 1.04 4.74 0.09 6.45 1.01 0.26 -1.66 121.20 133.12 1ggy s ILE 146 Ca 0.13 0.97 0.03 0.00 0.00 0.00 0.00 60.65 61.78 1ggy s ILE 146 Cb -0.20 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1ggy s ILE 146 CO -0.13 0.15 -0.10 -1.58 0.00 0.00 0.00 174.94 173.28 1ggy s GLN 147 N -2.16 0.82 0.24 2.79 0.74 -0.42 -0.39 119.66 121.29 1ggy s GLN 147 Ca 0.42 -1.14 0.08 0.00 0.05 0.00 0.00 55.36 54.78 1ggy s GLN 147 Cb -0.15 -0.49 -0.05 0.00 1.10 0.00 0.00 33.01 33.42 1ggy s GLN 147 CO 0.20 0.07 -0.13 -1.54 -0.55 0.00 0.00 175.29 173.34 1ggy s SER 148 N -2.41 2.81 0.28 6.67 1.04 -1.26 -2.41 113.70 118.42 1ggy s SER 148 Ca 0.05 -1.07 -0.29 0.00 0.48 0.00 0.00 55.95 55.11 1ggy s SER 148 Cb -0.03 -0.18 -0.10 0.00 0.10 0.00 0.00 66.02 65.82 1ggy s SER 148 CO -0.00 -0.19 1.30 -0.55 0.98 0.00 0.00 173.24 174.78 1ggy s SER 149 N -3.39 6.84 0.00 7.02 0.15 -1.26 -3.06 113.70 120.00 1ggy s SER 149 Ca 0.26 2.57 0.20 0.00 0.70 0.00 0.00 55.95 59.68 1ggy s SER 149 Cb -0.00 -2.63 1.18 0.00 -1.71 0.00 0.00 66.02 62.86 1ggy s SER 149 CO 0.10 -0.51 1.60 -0.81 1.20 0.00 0.00 173.24 174.82 1ggy n PRO 150 N 1.51 0.58 -0.87 5.44 -0.04 -1.26 -1.93 135.00 138.43 1ggy n PRO 150 Ca 0.02 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1ggy n PRO 150 Cb 0.42 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.58 1ggy n PRO 150 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ggy n LYS 151 N -1.04 1.95 -2.63 0.54 4.76 -1.26 -4.61 118.16 115.87 1ggy n LYS 151 Ca 0.14 -3.15 -0.40 0.00 -2.87 0.00 0.00 58.31 52.03 1ggy n LYS 151 Cb 0.08 -1.88 -0.05 0.00 -1.84 0.00 0.00 35.03 31.34 1ggy n LYS 151 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ggy n ILE 153 N 1.58 0.76 -3.33 0.00 5.41 -1.26 -4.47 119.36 118.05 1ggy n ILE 153 Ca -0.01 -0.19 -0.38 0.00 1.00 0.00 0.00 62.75 63.17 1ggy n ILE 153 Cb 0.46 -1.23 -0.06 0.00 -0.71 0.00 0.00 39.64 38.10 1ggy n ILE 153 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ggy s VAL 154 N 0.04 5.16 -3.97 1.39 1.01 -1.22 -4.85 120.40 117.97 1ggy s VAL 154 Ca 0.72 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1ggy s VAL 154 Cb -0.74 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1ggy s VAL 154 CO 0.49 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1ggy n GLY 155 N 3.12 -1.49 3.27 4.51 0.00 -0.79 -4.79 105.19 109.02 1ggy n GLY 155 Ca -0.08 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 1ggy n GLY 155 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggy s LYS 156 N -1.63 2.87 0.36 1.61 2.20 -1.26 -1.41 119.74 122.48 1ggy s LYS 156 Ca 0.00 -1.83 -0.20 0.00 -0.36 0.00 0.00 55.97 53.58 1ggy s LYS 156 Cb 0.00 -4.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.04 1ggy s LYS 156 CO 0.00 -1.28 0.87 -0.06 -0.36 0.00 0.00 175.35 174.52 1ggy s PHE 157 N 1.33 3.43 0.15 4.03 0.40 0.95 -4.86 117.98 123.41 1ggy s PHE 157 Ca 0.06 1.52 -0.06 0.00 -0.60 0.00 0.00 56.93 57.85 1ggy s PHE 157 Cb -0.26 -2.76 -0.06 0.00 0.51 0.00 0.00 43.02 40.45 1ggy s PHE 157 CO 0.00 0.05 0.41 1.03 0.70 0.00 0.00 175.22 177.41 1ggy s ARG 158 N -2.80 3.67 -0.05 0.44 0.52 0.16 -0.48 118.95 120.40 1ggy s ARG 158 Ca 0.56 0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.83 1ggy s ARG 158 Cb -0.12 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1ggy s ARG 158 CO 0.17 0.45 -0.21 1.41 0.02 0.00 0.00 175.30 177.14 1ggy s MET 159 N -2.60 2.50 0.25 3.54 -2.45 -1.26 -1.46 119.30 117.82 1ggy s MET 159 Ca 0.41 -0.83 0.01 0.00 -1.25 0.00 0.00 55.69 54.03 1ggy s MET 159 Cb -0.12 -2.24 -0.04 0.00 1.25 0.00 0.00 34.83 33.68 1ggy s MET 159 CO 0.23 0.48 0.14 0.71 1.05 0.00 0.00 175.02 177.63 1ggy s TYR 160 N -0.39 1.39 -0.12 4.11 2.02 -0.18 -4.77 117.35 119.40 1ggy s TYR 160 Ca 0.04 -1.35 -0.03 0.00 -0.37 0.00 0.00 57.07 55.36 1ggy s TYR 160 Cb -0.12 -0.72 0.05 0.00 -0.40 0.00 0.00 41.96 40.77 1ggy s TYR 160 CO 0.02 -0.56 0.05 0.08 -1.57 0.00 0.00 175.55 173.57 1ggy s VAL 161 N -3.89 0.18 -0.20 0.71 1.01 -1.26 -2.33 120.40 114.62 1ggy s VAL 161 Ca 0.38 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1ggy s VAL 161 Cb 0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1ggy s VAL 161 CO 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 175.10 175.26 1ggy s ALA 162 N 2.03 3.24 -0.30 5.51 0.00 -0.06 -1.44 121.76 130.74 1ggy s ALA 162 Ca 0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1ggy s ALA 162 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1ggy s ALA 162 CO -0.07 -0.02 0.15 0.08 0.00 0.00 0.00 175.76 175.91 1ggy s VAL 163 N 0.76 4.73 -0.69 0.00 1.01 0.16 -1.07 120.40 125.29 1ggy s VAL 163 Ca 0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 1ggy s VAL 163 Cb -0.14 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.00 1ggy s VAL 163 CO 0.02 0.14 0.88 0.26 0.00 0.00 0.00 175.10 176.40 1ggy s TRP 164 N 1.65 2.95 0.41 5.22 0.52 -1.02 0.22 118.94 128.89 1ggy s TRP 164 Ca 0.05 -0.96 0.02 0.00 0.02 0.00 0.00 56.10 55.23 1ggy s TRP 164 Cb -0.17 -4.15 -0.01 0.00 -1.15 0.00 0.00 33.47 28.00 1ggy s TRP 164 CO 0.07 -1.44 0.60 0.95 0.02 0.00 0.00 176.95 177.15 1ggy s THR 165 N 3.01 4.12 -1.27 2.01 -4.23 0.13 -4.63 115.64 114.78 1ggy s THR 165 Ca 0.19 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1ggy s THR 165 Cb -0.17 -3.49 0.04 0.00 1.34 0.00 0.00 72.50 70.21 1ggy s THR 165 CO 0.04 -0.30 0.97 -0.81 -0.54 0.00 0.00 174.62 173.97 1ggy n PRO 166 N -1.93 0.02 -2.57 3.99 -0.04 -1.26 -1.65 135.00 131.56 1ggy n PRO 166 Ca 0.00 0.33 -0.20 0.00 -0.04 0.00 0.00 63.50 63.59 1ggy n PRO 166 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1ggy n PRO 166 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggy n TYR 167 N -1.36 2.54 0.00 0.54 4.01 -1.26 -5.10 117.16 116.52 1ggy n TYR 167 Ca 0.01 -3.03 0.00 0.00 -0.16 0.00 0.00 57.90 54.72 1ggy n TYR 167 Cb 0.02 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 1ggy n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ggy n GLY 168 N -0.30 -0.54 3.82 2.72 0.00 -0.66 -4.56 105.19 105.67 1ggy n GLY 168 Ca 0.27 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 1ggy n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggy s VAL 169 N -1.19 4.74 0.01 1.61 1.01 -0.71 -0.69 120.40 125.19 1ggy s VAL 169 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.11 1ggy s VAL 169 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ggy s VAL 169 CO 0.00 0.37 -0.09 -0.76 0.00 0.00 0.00 175.10 174.62 1ggy s LEU 170 N -1.61 3.06 -0.01 3.92 1.43 0.13 -2.11 118.68 123.50 1ggy s LEU 170 Ca 0.35 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1ggy s LEU 170 Cb -0.17 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1ggy s LEU 170 CO 0.20 0.28 0.17 -0.60 0.23 0.00 0.00 176.35 176.63 1ggy s ARG 171 N -1.42 0.50 0.87 1.70 3.52 0.86 0.39 118.95 125.37 1ggy s ARG 171 Ca 0.17 -0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 55.35 1ggy s ARG 171 Cb -0.11 0.21 0.12 0.00 -1.56 0.00 0.00 34.95 33.61 1ggy s ARG 171 CO 0.07 -0.12 1.12 0.95 -0.81 0.00 0.00 175.30 176.51 1ggy s THR 172 N -1.27 2.56 0.63 4.11 -4.23 -0.52 -4.65 115.64 112.27 1ggy s THR 172 Ca -0.13 0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.62 1ggy s THR 172 Cb -0.07 -2.40 0.10 0.00 1.34 0.00 0.00 72.50 71.47 1ggy s THR 172 CO 0.02 -0.24 0.86 -0.94 -0.54 0.00 0.00 174.62 173.79 1ggy s SER 173 N -2.98 4.82 -0.24 3.99 1.04 -1.26 -4.77 113.70 114.31 1ggy s SER 173 Ca 0.65 -0.66 -0.28 0.00 0.48 0.00 0.00 55.95 56.13 1ggy s SER 173 Cb -0.20 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 1ggy s SER 173 CO 0.57 -1.53 2.19 -0.60 0.98 0.00 0.00 173.24 174.85 1ggy s ARG 174 N -4.84 3.11 -0.26 4.02 6.06 -1.26 -4.95 118.95 120.82 1ggy s ARG 174 Ca 0.63 1.95 -0.02 0.00 -2.50 0.00 0.00 55.73 55.80 1ggy s ARG 174 Cb -0.06 -4.37 0.08 0.00 0.06 0.00 0.00 34.95 30.67 1ggy s ARG 174 CO 0.41 -2.13 0.07 1.21 -2.50 0.00 0.00 175.30 172.36 1ggy s ASN 175 N 8.24 3.60 0.36 -2.12 2.47 -1.26 -5.03 114.94 121.20 1ggy s ASN 175 Ca 0.99 -1.30 0.10 0.00 0.42 0.00 0.00 52.86 53.07 1ggy s ASN 175 Cb -0.32 -0.74 0.87 0.00 -1.45 0.00 0.00 41.25 39.61 1ggy s ASN 175 CO 0.35 -0.37 1.84 -0.65 -3.72 0.00 0.00 177.10 174.55 1ggy h PRO 176 N 8.17 0.62 0.00 0.43 0.11 -1.97 -3.01 132.00 136.35 1ggy h PRO 176 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1ggy h PRO 176 Cb 1.05 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ggy h PRO 176 CO 0.42 0.41 0.05 0.39 -0.21 0.00 0.00 178.00 179.06 1ggy n GLU 177 N -4.59 0.00 -0.00 1.05 -0.58 -1.26 -1.58 120.64 113.67 1ggy n GLU 177 Ca 0.19 0.37 0.07 0.00 -0.42 0.00 0.00 57.16 57.38 1ggy n GLU 177 Cb 0.56 -1.55 -0.09 0.00 -0.57 0.00 0.00 31.44 29.78 1ggy n GLU 177 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ggy n THR 178 N -1.37 0.00 -1.69 2.62 -2.24 -1.14 -4.78 114.28 105.69 1ggy n THR 178 Ca 0.00 -0.23 -0.63 0.00 -2.27 0.00 0.00 64.05 60.92 1ggy n THR 178 Cb 0.05 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 68.86 1ggy n THR 178 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ggy n ASP 179 N -1.61 1.36 -4.48 3.42 9.92 -0.62 -4.55 116.55 119.99 1ggy n ASP 179 Ca 0.01 1.15 -0.33 0.00 -0.53 0.00 0.00 54.79 55.08 1ggy n ASP 179 Cb 0.29 -0.98 -0.13 0.00 -0.64 0.00 0.00 41.12 39.67 1ggy n ASP 179 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ggy s THR 180 N 2.51 3.59 0.04 -3.53 2.01 0.37 -4.02 115.64 116.61 1ggy s THR 180 Ca 1.00 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 62.37 1ggy s THR 180 Cb -1.32 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1ggy s THR 180 CO 0.72 0.53 0.44 -0.31 -0.69 0.00 0.00 174.62 175.30 1ggy s TYR 181 N 0.07 3.70 -0.08 4.92 2.02 -0.73 -0.03 117.35 127.21 1ggy s TYR 181 Ca -0.02 0.99 0.01 0.00 -0.37 0.00 0.00 57.07 57.68 1ggy s TYR 181 Cb -0.14 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 1ggy s TYR 181 CO 0.03 0.59 -0.10 0.42 -1.57 0.00 0.00 175.55 174.93 1ggy s ILE 182 N -1.18 1.02 0.45 2.71 1.01 -0.50 -1.65 121.20 123.05 1ggy s ILE 182 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1ggy s ILE 182 Cb -0.16 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1ggy s ILE 182 CO 0.15 0.34 0.02 0.18 0.00 0.00 0.00 174.94 175.64 1ggy n LEU 183 N 4.25 0.00 -4.72 2.97 4.77 -0.37 -1.88 117.00 122.02 1ggy n LEU 183 Ca -0.19 -2.77 -0.30 0.00 -0.03 0.00 0.00 56.01 52.71 1ggy n LEU 183 Cb 0.51 0.29 0.13 0.00 -2.33 0.00 0.00 43.42 42.02 1ggy n LEU 183 CO 0.22 -0.40 0.68 -0.36 -1.33 0.00 0.00 177.39 176.19 1ggy s PHE 184 N -2.59 2.29 -0.36 -1.77 0.08 -0.51 -1.25 117.98 113.87 1ggy s PHE 184 Ca 0.02 1.45 0.02 0.00 0.12 0.00 0.00 56.93 58.54 1ggy s PHE 184 Cb -0.00 -3.13 0.15 0.00 -0.57 0.00 0.00 43.02 39.47 1ggy s PHE 184 CO 0.01 -2.27 0.35 1.21 -0.10 0.00 0.00 175.22 174.42 1ggy s ASN 185 N -3.27 1.41 0.00 1.36 3.84 -1.26 -4.54 114.94 112.48 1ggy s ASN 185 Ca 0.63 -1.59 0.17 0.00 0.21 0.00 0.00 52.86 52.28 1ggy s ASN 185 Cb -0.19 0.45 1.00 0.00 -0.55 0.00 0.00 41.25 41.96 1ggy s ASN 185 CO 0.57 -0.27 1.41 -0.81 -2.79 0.00 0.00 177.10 175.20 1ggy n PRO 186 N 4.30 0.56 0.11 0.43 -0.04 -1.26 -2.41 135.00 136.69 1ggy n PRO 186 Ca 0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1ggy n PRO 186 Cb 0.44 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1ggy n PRO 186 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1ggy h TRP 187 N 0.00 0.00 -3.52 0.54 6.55 -1.88 0.13 115.95 117.78 1ggy h TRP 187 Ca 0.00 0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.23 1ggy h TRP 187 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 28.18 1ggy h TRP 187 CO 0.00 0.13 0.08 0.00 -1.05 0.00 0.00 178.44 177.60 1ggy n GLU 189 N 5.58 0.28 -0.06 0.00 0.28 -1.26 -1.96 120.64 123.50 1ggy n GLU 189 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.01 1ggy n GLU 189 Cb 0.49 -1.42 0.06 0.00 1.43 0.00 0.00 31.44 32.01 1ggy n GLU 189 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ggy n ASP 190 N -0.92 2.13 -4.89 -1.84 8.00 -1.26 -4.97 116.55 112.80 1ggy n ASP 190 Ca 0.06 -1.71 -0.33 0.00 0.71 0.00 0.00 54.79 53.51 1ggy n ASP 190 Cb 0.03 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 1ggy n ASP 190 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ggy s ASP 191 N -0.81 6.49 0.39 -2.24 -1.08 -0.83 -4.79 116.67 113.80 1ggy s ASP 191 Ca 0.11 0.55 0.06 0.00 -0.52 0.00 0.00 52.55 52.75 1ggy s ASP 191 Cb 0.06 -2.08 0.81 0.00 -1.46 0.00 0.00 42.92 40.24 1ggy s ASP 191 CO 0.08 0.18 2.04 0.00 0.52 0.00 0.00 175.17 177.99 1ggy h ALA 192 N 3.53 1.69 0.00 3.66 0.00 -1.88 -2.63 119.26 123.63 1ggy h ALA 192 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ggy h ALA 192 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ggy h ALA 192 CO 0.69 0.28 0.00 0.28 0.00 0.00 0.00 179.25 180.50 1ggy n VAL 193 N -4.47 0.12 -1.61 0.00 0.31 -1.26 -2.89 118.33 108.54 1ggy n VAL 193 Ca 0.05 0.03 -0.51 0.00 -0.01 0.00 0.00 64.34 63.90 1ggy n VAL 193 Cb 0.09 -0.63 -0.06 0.00 -0.91 0.00 0.00 33.84 32.33 1ggy n VAL 193 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ggy n TYR 194 N -1.16 1.69 -4.05 3.52 9.36 -0.99 -4.34 117.16 121.19 1ggy n TYR 194 Ca 0.15 0.55 -0.34 0.00 3.32 0.00 0.00 57.90 61.59 1ggy n TYR 194 Cb 0.15 -2.38 -0.15 0.00 -0.63 0.00 0.00 39.34 36.32 1ggy n TYR 194 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1ggy s LEU 195 N 0.65 2.43 -0.14 2.98 0.20 0.46 -4.97 118.68 120.29 1ggy s LEU 195 Ca 0.84 -0.61 -0.02 0.00 0.69 0.00 0.00 54.13 55.02 1ggy s LEU 195 Cb -0.90 -1.56 -0.00 0.00 -0.43 0.00 0.00 46.19 43.30 1ggy s LEU 195 CO 0.45 -0.02 2.49 -0.90 -0.29 0.00 0.00 176.35 178.09 1ggy n ASP 196 N 4.67 5.76 -3.58 3.68 5.75 -1.26 -4.74 116.55 126.83 1ggy n ASP 196 Ca -0.20 -2.70 -0.01 0.00 -0.01 0.00 0.00 54.79 51.87 1ggy n ASP 196 Cb 0.50 -1.19 -0.04 0.00 -1.03 0.00 0.00 41.12 39.35 1ggy n ASP 196 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ggy s ASN 197 N 1.31 -0.96 0.39 -1.12 3.84 -1.26 -5.07 114.94 112.07 1ggy s ASN 197 Ca 0.32 1.34 0.10 0.00 0.21 0.00 0.00 52.86 54.83 1ggy s ASN 197 Cb 0.19 2.04 0.81 0.00 -0.55 0.00 0.00 41.25 43.74 1ggy s ASN 197 CO -0.03 -0.19 1.93 -0.08 -2.79 0.00 0.00 177.10 175.94 1ggy h GLU 198 N 7.74 0.22 -0.16 0.43 4.57 -1.99 -1.73 114.58 123.65 1ggy h GLU 198 Ca -0.19 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1ggy h GLU 198 Cb 1.12 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1ggy h GLU 198 CO 0.10 0.35 0.00 0.87 -1.18 0.00 0.00 179.01 179.16 1ggy h LYS 199 N 0.21 0.29 -0.21 1.92 1.57 -1.98 -0.02 116.57 118.35 1ggy h LYS 199 Ca 0.04 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1ggy h LYS 199 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1ggy h LYS 199 CO 0.02 0.51 -0.10 0.93 -0.57 0.00 0.00 179.45 180.24 1ggy h GLU 200 N 0.04 0.33 -0.43 3.15 5.08 -1.94 0.41 114.58 121.22 1ggy h GLU 200 Ca 0.05 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1ggy h GLU 200 Cb 0.38 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ggy h GLU 200 CO 0.01 0.44 -0.23 0.00 -1.00 0.00 0.00 179.01 178.22 1ggy h ARG 201 N 0.31 0.92 0.56 2.33 3.08 -1.04 0.45 114.38 120.99 1ggy h ARG 201 Ca 0.06 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1ggy h ARG 201 Cb 0.37 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1ggy h ARG 201 CO 0.02 1.07 -0.27 0.93 -1.07 0.00 0.00 179.97 180.65 1ggy h GLU 202 N 0.75 -0.73 0.62 0.04 5.08 0.20 0.11 114.58 120.65 1ggy h GLU 202 Ca 0.09 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1ggy h GLU 202 Cb 0.81 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ggy h GLU 202 CO 0.07 -0.43 -0.34 1.49 -1.00 0.00 0.00 179.01 178.79 1ggy h GLU 203 N -0.92 -0.86 0.00 2.33 4.57 -0.21 0.34 114.58 119.84 1ggy h GLU 203 Ca -0.08 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1ggy h GLU 203 Cb 0.64 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1ggy h GLU 203 CO 0.13 -0.57 0.00 1.88 -1.18 0.00 0.00 179.01 179.27 1ggy h TYR 204 N -0.89 0.00 0.00 0.92 0.05 -0.19 -3.19 116.97 113.67 1ggy h TYR 204 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1ggy h TYR 204 Cb 0.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1ggy h TYR 204 CO 0.01 0.00 -0.77 0.28 -1.05 0.00 0.00 178.16 176.63 1ggy n VAL 205 N -2.98 0.00 0.21 -2.88 0.31 0.34 -2.99 118.33 110.35 1ggy n VAL 205 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.43 1ggy n VAL 205 Cb 0.21 -0.94 0.26 0.00 -0.91 0.00 0.00 33.84 32.46 1ggy n VAL 205 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ggy h LEU 206 N 0.00 0.00 -9.23 7.52 -0.00 -0.09 -3.45 115.31 110.05 1ggy h LEU 206 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.32 1ggy h LEU 206 Cb 0.77 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 1ggy h LEU 206 CO 0.00 0.12 0.97 0.21 -0.00 0.00 0.00 178.44 179.74 1ggy s ASN 207 N -6.17 6.81 -0.09 -0.43 3.84 0.34 -4.88 114.94 114.37 1ggy s ASN 207 Ca 0.05 1.99 0.16 0.00 0.21 0.00 0.00 52.86 55.26 1ggy s ASN 207 Cb 0.07 -2.54 0.54 0.00 -0.55 0.00 0.00 41.25 38.77 1ggy s ASN 207 CO 0.66 -0.82 1.46 -0.90 -2.79 0.00 0.00 177.10 174.71 1ggy n ASP 208 N 6.62 3.96 -3.95 -4.21 5.75 -1.26 -4.89 116.55 118.57 1ggy n ASP 208 Ca 0.15 -2.42 -0.20 0.00 -0.01 0.00 0.00 54.79 52.31 1ggy n ASP 208 Cb 0.44 -0.46 -0.16 0.00 -1.03 0.00 0.00 41.12 39.91 1ggy n ASP 208 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ggy s ILE 209 N -1.77 0.68 0.16 2.12 1.01 -1.26 -1.32 121.20 120.82 1ggy s ILE 209 Ca 0.40 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1ggy s ILE 209 Cb 0.26 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1ggy s ILE 209 CO 0.19 0.24 0.02 -0.83 0.00 0.00 0.00 174.94 174.55 1ggy s GLY 210 N 0.62 1.16 -0.10 6.18 0.00 0.74 -4.91 107.32 111.00 1ggy s GLY 210 Ca -0.09 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.10 1ggy s GLY 210 CO 0.01 -1.49 -0.23 -1.34 0.00 0.00 0.00 173.10 170.05 1ggy s VAL 211 N -3.75 2.03 -0.18 1.40 -7.23 -1.26 0.11 120.40 111.52 1ggy s VAL 211 Ca 0.24 -1.00 -0.07 0.00 -1.81 0.00 0.00 61.98 59.33 1ggy s VAL 211 Cb 0.06 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1ggy s VAL 211 CO 0.03 0.55 0.06 -0.63 -0.31 0.00 0.00 175.10 174.81 1ggy s ILE 212 N 0.39 4.77 -0.02 -0.62 1.01 0.13 -4.66 121.20 122.21 1ggy s ILE 212 Ca -0.18 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 1ggy s ILE 212 Cb -0.18 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 1ggy s ILE 212 CO 0.08 0.46 0.44 -0.36 0.00 0.00 0.00 174.94 175.56 1ggy s PHE 213 N 0.35 3.69 0.00 3.97 0.40 -1.26 -0.07 117.98 125.06 1ggy s PHE 213 Ca 0.03 1.00 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 1ggy s PHE 213 Cb -0.12 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.04 1ggy s PHE 213 CO 0.00 0.54 0.00 2.48 0.70 0.00 0.00 175.22 178.94 1ggy n TYR 214 N 2.19 0.00 0.00 0.36 4.11 0.12 -4.89 117.16 119.06 1ggy n TYR 214 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.78 1ggy n TYR 214 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1ggy n TYR 214 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ggy n GLY 215 N 0.00 1.67 3.55 -7.48 0.00 -1.26 -0.59 105.19 101.08 1ggy n GLY 215 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1ggy n GLY 215 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggy s GLU 216 N 0.00 0.87 0.31 1.61 4.04 -0.98 -4.70 118.70 119.85 1ggy s GLU 216 Ca 0.00 0.27 0.24 0.00 0.04 0.00 0.00 54.97 55.52 1ggy s GLU 216 Cb 0.00 0.41 1.02 0.00 0.02 0.00 0.00 34.13 35.58 1ggy s GLU 216 CO 0.00 -0.26 1.04 1.55 -1.84 0.00 0.00 175.26 175.75 1ggy n VAL 217 N 0.99 -0.14 0.06 1.83 3.14 -1.26 0.26 118.33 123.21 1ggy n VAL 217 Ca -0.16 1.16 0.11 0.00 -2.96 0.00 0.00 64.34 62.49 1ggy n VAL 217 Cb 0.57 -1.91 -0.07 0.00 -1.06 0.00 0.00 33.84 31.38 1ggy n VAL 217 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ggy n ASN 218 N -3.88 0.53 -3.33 6.55 5.03 -1.26 -4.49 115.26 114.41 1ggy n ASN 218 Ca 0.27 0.21 -0.26 0.00 0.87 0.00 0.00 54.58 55.67 1ggy n ASN 218 Cb 1.09 1.02 -0.08 0.00 -1.02 0.00 0.00 39.78 40.79 1ggy n ASN 218 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1ggy n ASP 219 N -2.53 1.52 -4.65 6.41 2.03 0.14 -5.09 116.55 114.37 1ggy n ASP 219 Ca -0.02 -2.95 -0.42 0.00 0.52 0.00 0.00 54.79 51.91 1ggy n ASP 219 Cb 0.57 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1ggy n ASP 219 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ggy s ILE 220 N -1.52 3.61 0.08 5.18 1.09 -1.08 -2.31 121.20 126.24 1ggy s ILE 220 Ca 0.36 0.72 -0.01 0.00 -1.10 0.00 0.00 60.65 60.63 1ggy s ILE 220 Cb 0.14 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 1ggy s ILE 220 CO -0.09 -0.12 0.24 -0.54 -0.10 0.00 0.00 174.94 174.33 1ggy s LYS 221 N 4.26 3.47 0.27 2.79 -0.14 0.25 -4.93 119.74 125.70 1ggy s LYS 221 Ca 0.73 -0.39 0.11 0.00 -1.36 0.00 0.00 55.97 55.06 1ggy s LYS 221 Cb -0.31 -3.01 -0.05 0.00 -1.68 0.00 0.00 37.83 32.78 1ggy s LYS 221 CO 0.29 0.58 -0.18 0.95 -0.76 0.00 0.00 175.35 176.24 1ggy s THR 222 N -1.55 2.29 0.10 2.17 -4.23 -1.26 0.16 115.64 113.32 1ggy s THR 222 Ca 0.36 -2.35 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 1ggy s THR 222 Cb -0.13 -2.27 -0.00 0.00 1.34 0.00 0.00 72.50 71.44 1ggy s THR 222 CO 0.28 -0.43 0.20 -0.60 -0.54 0.00 0.00 174.62 173.53 1ggy s ARG 223 N -3.55 0.88 -0.09 3.99 3.00 0.90 -4.93 118.95 119.14 1ggy s ARG 223 Ca 0.29 -0.97 -0.00 0.00 -1.00 0.00 0.00 55.73 54.04 1ggy s ARG 223 Cb -0.03 0.35 -0.03 0.00 0.00 0.00 0.00 34.95 35.23 1ggy s ARG 223 CO 0.13 -0.28 -0.06 -1.12 0.00 0.00 0.00 175.30 173.97 1ggy s SER 224 N -2.87 4.73 -0.07 -2.12 0.01 -1.26 -0.69 113.70 111.43 1ggy s SER 224 Ca 0.06 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.31 1ggy s SER 224 Cb 0.05 -1.32 0.01 0.00 0.21 0.00 0.00 66.02 64.97 1ggy s SER 224 CO -0.10 0.33 -0.12 0.86 0.41 0.00 0.00 173.24 174.62 1ggy s TRP 225 N -0.59 1.42 -0.56 2.43 -0.11 0.31 -4.84 118.94 117.00 1ggy s TRP 225 Ca 0.09 -0.53 -0.23 0.00 1.22 0.00 0.00 56.10 56.64 1ggy s TRP 225 Cb -0.12 -1.06 0.05 0.00 -1.50 0.00 0.00 33.47 30.84 1ggy s TRP 225 CO 0.02 -0.29 0.91 0.45 -4.62 0.00 0.00 176.95 173.42 1ggy s SER 226 N 0.74 6.31 0.06 5.86 0.15 -0.43 -0.19 113.70 126.20 1ggy s SER 226 Ca -0.13 -0.47 -0.19 0.00 0.70 0.00 0.00 55.95 55.86 1ggy s SER 226 Cb -0.16 -2.42 -0.12 0.00 -1.71 0.00 0.00 66.02 61.62 1ggy s SER 226 CO 0.03 -1.21 1.41 1.88 1.20 0.00 0.00 173.24 176.54 1ggy h TYR 227 N 9.30 0.48 -6.00 3.44 0.05 -1.55 0.81 116.97 123.51 1ggy h TYR 227 Ca -0.27 -0.13 -0.43 0.00 0.05 0.00 0.00 58.73 57.96 1ggy h TYR 227 Cb 1.08 -0.11 0.07 0.00 1.01 0.00 0.00 36.73 38.77 1ggy h TYR 227 CO 0.90 0.73 -0.71 0.41 -1.05 0.00 0.00 178.16 178.44 1ggy n GLY 228 N 0.03 -0.53 0.25 3.88 0.00 -0.90 -4.25 105.19 103.67 1ggy n GLY 228 Ca -0.05 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1ggy n GLY 228 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ggy h GLN 229 N -2.44 0.00 -0.01 1.61 -0.00 -1.91 -2.74 115.11 109.62 1ggy h GLN 229 Ca -0.57 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.08 1ggy h GLN 229 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.85 1ggy h GLN 229 CO 0.60 0.17 -0.22 1.19 -0.00 0.00 0.00 178.83 180.57 1ggy n PHE 230 N -3.72 0.00 -1.84 0.06 3.72 -1.26 -4.27 117.46 110.15 1ggy n PHE 230 Ca -0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 1ggy n PHE 230 Cb 0.28 -0.06 0.04 0.00 -0.94 0.00 0.00 39.48 38.80 1ggy n PHE 230 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1ggy s GLU 231 N -2.34 2.93 -0.44 -1.08 0.41 -1.04 -0.17 118.70 116.97 1ggy s GLU 231 Ca 0.26 1.36 -0.37 0.00 -0.41 0.00 0.00 54.97 55.81 1ggy s GLU 231 Cb 0.19 -1.97 -0.14 0.00 -1.78 0.00 0.00 34.13 30.44 1ggy s GLU 231 CO 0.47 -1.14 2.22 -3.47 -0.49 0.00 0.00 175.26 172.85 1ggy n ASP 232 N -2.29 1.64 0.00 -0.19 2.03 -1.26 -1.99 116.55 114.49 1ggy n ASP 232 Ca 0.10 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1ggy n ASP 232 Cb 0.52 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1ggy n ASP 232 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggy n GLY 233 N 6.78 0.28 0.14 0.27 0.00 -1.26 -4.99 105.19 106.41 1ggy n GLY 233 Ca 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.30 1ggy n GLY 233 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ggy h ILE 234 N 0.00 1.44 -0.47 -0.61 1.08 -1.67 -2.29 117.51 114.99 1ggy h ILE 234 Ca 0.00 -2.19 0.07 0.00 -0.39 0.00 0.00 64.86 62.34 1ggy h ILE 234 Cb 0.00 2.73 -0.06 0.00 -3.07 0.00 0.00 36.82 36.43 1ggy h ILE 234 CO 0.00 0.64 0.14 0.25 -0.69 0.00 0.00 178.15 178.48 1ggy h LEU 235 N -0.15 0.10 -1.50 1.44 5.85 -1.80 0.05 115.31 119.30 1ggy h LEU 235 Ca -0.09 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1ggy h LEU 235 Cb 1.41 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1ggy h LEU 235 CO 0.13 0.09 -0.23 0.44 -0.34 0.00 0.00 178.44 178.53 1ggy h ASP 236 N 0.29 0.00 0.57 1.25 5.19 -1.95 -2.46 116.42 119.31 1ggy h ASP 236 Ca 0.23 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.39 1ggy h ASP 236 Cb 0.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 1ggy h ASP 236 CO -0.26 0.23 -1.08 0.71 -3.12 0.00 0.00 179.24 175.73 1ggy h THR 237 N 0.00 1.49 -0.76 0.35 1.35 -0.51 -2.71 112.91 112.12 1ggy h THR 237 Ca -0.00 -2.85 0.01 0.00 -0.55 0.00 0.00 66.41 63.02 1ggy h THR 237 Cb 0.54 2.71 -0.04 0.00 -1.73 0.00 0.00 68.15 69.63 1ggy h THR 237 CO 0.03 0.83 0.50 0.00 -0.25 0.00 0.00 175.52 176.63 1ggy h LEU 239 N 1.01 1.04 -1.19 0.00 3.38 -1.58 -2.76 115.31 115.21 1ggy h LEU 239 Ca 0.28 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1ggy h LEU 239 Cb -0.10 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.31 1ggy h LEU 239 CO -0.07 1.10 0.58 0.22 0.09 0.00 0.00 178.44 180.36 1ggy h TYR 240 N 0.95 0.97 0.15 1.13 3.20 -0.74 0.15 116.97 122.78 1ggy h TYR 240 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1ggy h TYR 240 Cb 0.58 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1ggy h TYR 240 CO 0.04 0.46 -0.08 0.28 -1.64 0.00 0.00 178.16 177.22 1ggy h VAL 241 N 0.91 0.83 -0.55 1.81 2.07 -0.60 0.43 116.25 121.14 1ggy h VAL 241 Ca 0.41 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.94 1ggy h VAL 241 Cb 0.37 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1ggy h VAL 241 CO -0.17 0.00 0.36 0.24 0.02 0.00 0.00 177.57 178.02 1ggy h MET 242 N -0.22 0.72 -0.70 1.57 2.86 -1.00 0.26 114.93 118.41 1ggy h MET 242 Ca -0.02 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1ggy h MET 242 Cb 0.18 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1ggy h MET 242 CO 0.03 0.48 0.46 -0.44 1.06 0.00 0.00 176.91 178.49 1ggy h ASP 243 N 0.74 0.80 -0.40 1.22 3.32 -0.61 0.44 116.42 121.93 1ggy h ASP 243 Ca 0.21 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1ggy h ASP 243 Cb -0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1ggy h ASP 243 CO -0.05 0.58 0.03 0.03 -1.72 0.00 0.00 179.24 178.11 1ggy h ARG 244 N 0.95 0.76 0.00 3.56 2.47 0.85 -1.21 114.38 121.76 1ggy h ARG 244 Ca 0.26 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1ggy h ARG 244 Cb -0.11 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.11 1ggy h ARG 244 CO -0.06 0.75 0.00 0.00 0.56 0.00 0.00 179.97 181.23 1ggy n ALA 245 N -2.47 2.49 -3.96 0.04 0.00 0.06 -4.86 120.51 111.80 1ggy n ALA 245 Ca 0.03 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1ggy n ALA 245 Cb 0.27 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.43 1ggy n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ggy n GLN 246 N -0.83 -4.71 -2.49 0.00 6.02 -0.46 -4.91 117.38 110.00 1ggy n GLN 246 Ca 0.14 0.53 -0.42 0.00 -0.01 0.00 0.00 57.00 57.24 1ggy n GLN 246 Cb 0.06 -5.27 -0.03 0.00 1.02 0.00 0.00 30.24 26.02 1ggy n GLN 246 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1ggy s MET 247 N -6.61 4.41 0.15 -1.09 1.75 -0.96 -4.86 119.30 112.09 1ggy s MET 247 Ca 0.54 1.66 -0.31 0.00 -1.25 0.00 0.00 55.69 56.33 1ggy s MET 247 Cb -0.28 -3.47 -0.11 0.00 2.84 0.00 0.00 34.83 33.82 1ggy s MET 247 CO 0.86 -0.32 1.81 -3.47 -0.65 0.00 0.00 175.02 173.25 1ggy n ASP 248 N 4.56 4.05 -0.26 1.11 2.03 -1.26 -4.36 116.55 122.43 1ggy n ASP 248 Ca 0.09 1.00 0.06 0.00 0.52 0.00 0.00 54.79 56.47 1ggy n ASP 248 Cb 0.47 -1.56 0.19 0.00 -0.72 0.00 0.00 41.12 39.51 1ggy n ASP 248 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ggy h LEU 249 N 8.13 0.18 -2.07 -2.67 3.38 -1.37 0.14 115.31 121.02 1ggy h LEU 249 Ca -0.46 0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1ggy h LEU 249 Cb 1.22 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1ggy h LEU 249 CO 0.95 0.04 0.35 0.28 0.09 0.00 0.00 178.44 180.15 1ggy h SER 250 N 0.37 0.00 1.35 -0.43 0.02 -1.81 0.16 113.55 113.21 1ggy h SER 250 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1ggy h SER 250 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1ggy h SER 250 CO -0.45 0.00 -0.17 1.23 -1.14 0.00 0.00 176.83 176.30 1ggy h GLY 251 N 0.00 0.00 1.78 -3.77 0.00 -1.07 -3.33 103.07 96.67 1ggy h GLY 251 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ggy h GLY 251 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1ggy n ARG 252 N -2.29 0.11 0.00 4.80 1.74 0.57 -1.70 116.66 119.88 1ggy n ARG 252 Ca 0.05 0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1ggy n ARG 252 Cb 0.44 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.65 1ggy n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ggy n GLY 253 N -0.06 -0.26 3.46 -0.13 0.00 -1.25 -3.39 105.19 103.55 1ggy n GLY 253 Ca 0.05 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 1ggy n GLY 253 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ggy s ASN 254 N -2.40 6.12 0.16 1.61 3.84 -0.69 -4.82 114.94 118.75 1ggy s ASN 254 Ca 0.25 -0.92 -0.16 0.00 0.21 0.00 0.00 52.86 52.23 1ggy s ASN 254 Cb 0.19 -2.17 0.09 0.00 -0.55 0.00 0.00 41.25 38.81 1ggy s ASN 254 CO 0.50 -0.47 1.71 1.55 -2.79 0.00 0.00 177.10 177.59 1ggy h PRO 255 N 8.65 0.12 -0.21 0.43 0.13 -1.86 -0.35 132.00 138.90 1ggy h PRO 255 Ca -0.27 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.88 1ggy h PRO 255 Cb 1.12 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 1ggy h PRO 255 CO 0.74 0.08 -0.42 0.82 -0.23 0.00 0.00 178.00 178.99 1ggy h ILE 256 N 0.12 0.00 0.00 -3.56 2.04 -1.93 0.19 117.51 114.38 1ggy h ILE 256 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1ggy h ILE 256 Cb 0.24 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1ggy h ILE 256 CO -0.29 0.00 -0.03 0.50 0.00 0.00 0.00 178.15 178.33 1ggy h LYS 257 N -0.37 0.00 -0.18 2.37 3.64 -1.80 0.45 116.57 120.67 1ggy h LYS 257 Ca 0.04 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1ggy h LYS 257 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ggy h LYS 257 CO -0.40 0.03 -0.36 0.28 -2.27 0.00 0.00 179.45 176.73 1ggy h VAL 258 N 0.00 1.34 -0.06 2.00 2.07 0.11 -2.14 116.25 119.57 1ggy h VAL 258 Ca -0.00 -1.60 -0.24 0.00 0.82 0.00 0.00 66.70 65.68 1ggy h VAL 258 Cb 0.32 1.90 0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1ggy h VAL 258 CO 0.00 0.49 -0.89 0.77 0.02 0.00 0.00 177.57 177.97 1ggy h SER 259 N 0.23 0.88 -0.62 0.57 4.64 -0.62 0.25 113.55 118.87 1ggy h SER 259 Ca 0.01 -0.70 0.02 0.00 -0.47 0.00 0.00 61.79 60.64 1ggy h SER 259 Cb 0.96 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.75 1ggy h SER 259 CO 0.08 1.45 0.40 -0.09 -0.87 0.00 0.00 176.83 177.80 1ggy h ARG 260 N 0.38 0.78 0.17 4.77 9.65 -0.97 0.25 114.38 129.41 1ggy h ARG 260 Ca -0.10 -0.05 -0.31 0.00 -1.10 0.00 0.00 59.98 58.43 1ggy h ARG 260 Cb 1.54 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.95 1ggy h ARG 260 CO 0.18 0.52 -1.43 0.28 2.80 0.00 0.00 179.97 182.31 1ggy h VAL 261 N 0.80 1.30 0.05 0.20 2.07 -1.44 -3.30 116.25 115.94 1ggy h VAL 261 Ca 0.24 -2.85 -0.00 0.00 0.82 0.00 0.00 66.70 64.91 1ggy h VAL 261 Cb -0.04 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1ggy h VAL 261 CO -0.07 0.85 -0.03 1.23 0.02 0.00 0.00 177.57 179.57 1ggy h GLY 262 N 1.16 -0.07 1.91 2.17 0.00 -0.16 -2.67 103.07 105.41 1ggy h GLY 262 Ca -0.21 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1ggy h GLY 262 CO 0.21 -0.03 0.03 1.48 0.00 0.00 0.00 176.54 178.23 1ggy h SER 263 N -0.24 0.00 0.81 0.19 4.64 -0.67 0.14 113.55 118.41 1ggy h SER 263 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ggy h SER 263 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ggy h SER 263 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1ggy n ALA 264 N -2.53 1.80 -0.02 5.18 0.00 -1.02 -2.87 120.51 121.05 1ggy n ALA 264 Ca -0.02 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1ggy n ALA 264 Cb 0.13 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 1ggy n ALA 264 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ggy n MET 265 N -2.02 0.63 -0.04 0.00 2.81 0.03 -4.47 117.12 114.06 1ggy n MET 265 Ca 0.03 0.30 -0.08 0.00 -1.81 0.00 0.00 57.70 56.14 1ggy n MET 265 Cb 0.25 -1.80 -0.02 0.00 -0.71 0.00 0.00 33.22 30.95 1ggy n MET 265 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ggy h VAL 266 N 0.00 0.49 -2.77 2.03 2.07 -1.50 1.00 116.25 117.56 1ggy h VAL 266 Ca -0.28 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.57 1ggy h VAL 266 Cb 2.01 0.49 -0.17 0.00 -1.52 0.00 0.00 31.29 32.10 1ggy h VAL 266 CO 0.08 0.00 0.34 0.21 0.02 0.00 0.00 177.57 178.22 1ggy s ASN 267 N -5.07 6.20 -0.32 0.57 2.47 -1.26 -0.31 114.94 117.22 1ggy s ASN 267 Ca -0.14 -1.25 -0.30 0.00 0.42 0.00 0.00 52.86 51.58 1ggy s ASN 267 Cb 0.12 -2.36 -0.08 0.00 -1.45 0.00 0.00 41.25 37.48 1ggy s ASN 267 CO 0.68 -1.27 2.25 0.00 -3.72 0.00 0.00 177.10 175.04 1ggy n ALA 268 N 6.98 1.39 -2.55 1.71 0.00 0.22 -4.66 120.51 123.60 1ggy n ALA 268 Ca -0.06 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1ggy n ALA 268 Cb 0.44 -2.81 -0.05 0.00 0.00 0.00 0.00 19.45 17.03 1ggy n ALA 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ggy s LYS 269 N 6.61 3.38 0.00 0.00 2.20 -1.26 -4.67 119.74 126.00 1ggy s LYS 269 Ca 1.05 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1ggy s LYS 269 Cb -0.53 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 1ggy s LYS 269 CO 0.39 -1.13 0.00 -0.40 -0.36 0.00 0.00 175.35 173.85 1ggy n ASP 270 N 6.71 -5.59 0.00 1.43 5.68 -1.26 -2.65 116.55 120.88 1ggy n ASP 270 Ca 0.02 0.49 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 1ggy n ASP 270 Cb 0.48 -1.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.21 1ggy n ASP 270 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1ggy n ASP 271 N 1.67 -3.29 0.00 -1.12 5.75 -1.26 -4.81 116.55 113.49 1ggy n ASP 271 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ggy n ASP 271 Cb 0.25 -2.79 0.00 0.00 -1.03 0.00 0.00 41.12 37.55 1ggy n ASP 271 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1ggy n GLU 272 N -0.07 0.00 0.00 0.11 4.07 -1.08 -4.56 120.64 119.10 1ggy n GLU 272 Ca 0.00 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1ggy n GLU 272 Cb 0.27 -0.41 0.00 0.00 -0.06 0.00 0.00 31.44 31.24 1ggy n GLU 272 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ggy n GLY 273 N 2.02 -2.43 0.05 8.31 0.00 -1.26 -4.66 105.19 107.22 1ggy n GLY 273 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 1ggy n GLY 273 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ggy h VAL 274 N -0.96 0.00 -3.13 1.61 2.07 -0.78 -3.33 116.25 111.74 1ggy h VAL 274 Ca 0.00 -0.85 -0.65 0.00 0.82 0.00 0.00 66.70 66.01 1ggy h VAL 274 Cb 0.00 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.67 1ggy h VAL 274 CO 0.00 0.00 -0.58 -0.76 0.02 0.00 0.00 177.57 176.25 1ggy s LEU 275 N -7.81 3.87 -0.28 2.57 1.43 0.57 0.57 118.68 119.61 1ggy s LEU 275 Ca -0.05 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1ggy s LEU 275 Cb 0.01 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1ggy s LEU 275 CO 0.07 0.25 0.17 -0.69 0.23 0.00 0.00 176.35 176.39 1ggy s VAL 276 N -1.24 5.19 0.30 -1.59 1.01 -0.19 0.70 120.40 124.57 1ggy s VAL 276 Ca 0.25 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 1ggy s VAL 276 Cb -0.12 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1ggy s VAL 276 CO 0.16 0.26 0.98 -0.83 0.00 0.00 0.00 175.10 175.68 1ggy s GLY 277 N 1.72 2.94 -0.26 4.51 0.00 -1.26 -0.03 107.32 114.94 1ggy s GLY 277 Ca 0.07 0.64 -0.23 0.00 0.00 0.00 0.00 44.72 45.20 1ggy s GLY 277 CO 0.10 1.15 0.68 -0.45 0.00 0.00 0.00 173.10 174.58 1ggy s SER 278 N -1.35 -0.73 0.00 1.64 0.15 -0.57 -4.80 113.70 108.04 1ggy s SER 278 Ca 0.47 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.51 1ggy s SER 278 Cb -0.24 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1ggy s SER 278 CO 0.30 -0.24 0.55 0.79 1.20 0.00 0.00 173.24 175.84 1ggy n TRP 279 N 2.83 0.00 -2.34 3.44 8.01 -1.26 -4.70 117.44 123.41 1ggy n TRP 279 Ca -0.14 -0.15 -0.43 0.00 -1.31 0.00 0.00 57.50 55.46 1ggy n TRP 279 Cb 0.55 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.31 29.82 1ggy n TRP 279 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.69 176.84 1ggy s ASP 280 N -0.31 6.32 0.00 -0.99 -4.77 -1.26 -4.84 116.67 110.82 1ggy s ASP 280 Ca 0.00 0.83 0.00 0.00 -3.30 0.00 0.00 52.55 50.08 1ggy s ASP 280 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1ggy s ASP 280 CO 0.00 -1.45 0.48 -3.20 0.70 0.00 0.00 175.17 171.71 1ggy n ASN 281 N 8.87 0.00 0.02 2.11 4.05 -1.26 -2.88 115.26 126.16 1ggy n ASN 281 Ca 0.17 0.04 -0.01 0.00 0.45 0.00 0.00 54.58 55.22 1ggy n ASN 281 Cb 0.48 -0.04 -0.00 0.00 1.23 0.00 0.00 39.78 41.45 1ggy n ASN 281 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1ggy h ILE 282 N 0.00 0.00 -2.99 -1.44 2.04 -2.00 -3.49 117.51 109.62 1ggy h ILE 282 Ca 0.00 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1ggy h ILE 282 Cb 0.81 0.00 0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1ggy h ILE 282 CO 0.00 0.00 -0.26 -1.22 0.00 0.00 0.00 178.15 176.67 1ggy n TYR 283 N -2.67 -0.94 -0.30 1.37 4.01 -1.14 -4.93 117.16 112.56 1ggy n TYR 283 Ca -0.01 0.36 0.26 0.00 -0.16 0.00 0.00 57.90 58.35 1ggy n TYR 283 Cb 0.03 -2.74 0.44 0.00 -0.31 0.00 0.00 39.34 36.76 1ggy n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ggy n ALA 284 N -2.87 0.87 -2.57 -0.72 0.00 -1.26 -2.59 120.51 111.37 1ggy n ALA 284 Ca -0.04 0.60 0.01 0.00 0.00 0.00 0.00 53.44 54.01 1ggy n ALA 284 Cb 0.54 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.32 1ggy n ALA 284 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ggy n TYR 285 N -4.11 0.59 -2.64 0.00 4.01 -1.26 -5.11 117.16 108.64 1ggy n TYR 285 Ca 0.27 -1.25 0.00 0.00 -0.16 0.00 0.00 57.90 56.76 1ggy n TYR 285 Cb 1.02 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 1ggy n TYR 285 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ggy n GLY 286 N -0.06 2.12 3.71 2.72 0.00 -1.07 -4.94 105.19 107.67 1ggy n GLY 286 Ca 0.09 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1ggy n GLY 286 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggy s VAL 287 N -2.76 5.06 0.16 1.61 1.01 -0.63 -4.84 120.40 120.02 1ggy s VAL 287 Ca 0.00 1.35 -0.31 0.00 0.00 0.00 0.00 61.98 63.02 1ggy s VAL 287 Cb 0.00 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 1ggy s VAL 287 CO 0.00 0.24 1.77 -2.84 0.00 0.00 0.00 175.10 174.28 1ggy s PRO 288 N 0.92 4.14 0.48 2.72 0.02 -1.26 -1.96 135.00 140.05 1ggy s PRO 288 Ca 0.35 2.59 0.34 0.00 0.02 0.00 0.00 61.00 64.29 1ggy s PRO 288 Cb -0.17 -3.37 1.47 0.00 0.02 0.00 0.00 34.50 32.45 1ggy s PRO 288 CO 0.16 -0.80 1.68 -1.35 -0.33 0.00 0.00 177.00 176.36 1ggy h PRO 289 N 7.81 0.10 0.00 5.54 0.11 -1.91 0.54 132.00 144.18 1ggy h PRO 289 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ggy h PRO 289 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ggy h PRO 289 CO 0.95 0.06 0.00 0.43 -0.21 0.00 0.00 178.00 179.23 1ggy n SER 290 N -4.42 0.54 0.07 -2.05 7.64 -1.26 -3.39 113.62 110.74 1ggy n SER 290 Ca 0.34 0.65 -0.12 0.00 1.01 0.00 0.00 58.87 60.76 1ggy n SER 290 Cb 1.43 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 63.79 1ggy n SER 290 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ggy h ALA 291 N 2.25 -0.23 -1.19 -0.43 0.00 -0.25 -3.43 119.26 115.98 1ggy h ALA 291 Ca 0.00 -0.22 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 1ggy h ALA 291 Cb 0.28 0.09 0.11 0.00 0.00 0.00 0.00 17.79 18.26 1ggy h ALA 291 CO 0.00 -0.36 -0.36 0.91 0.00 0.00 0.00 179.25 179.44 1ggy n TRP 292 N -4.97 -0.07 0.42 0.00 7.02 -1.22 -4.75 117.44 113.88 1ggy n TRP 292 Ca -0.08 0.92 0.06 0.00 -1.02 0.00 0.00 57.50 57.38 1ggy n TRP 292 Cb 0.26 -2.03 -0.08 0.00 -2.42 0.00 0.00 31.31 27.04 1ggy n TRP 292 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ggy n THR 293 N 0.17 0.00 -3.90 -0.99 -2.24 -1.26 -5.03 114.28 101.04 1ggy n THR 293 Ca 0.17 -0.23 0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1ggy n THR 293 Cb 0.25 0.75 0.01 0.00 -2.10 0.00 0.00 70.33 69.24 1ggy n THR 293 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ggy s GLY 294 N -2.64 -0.11 0.20 3.38 0.00 -1.26 -1.31 107.32 105.58 1ggy s GLY 294 Ca 0.02 0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.81 1ggy s GLY 294 CO 0.54 3.84 1.48 1.76 0.00 0.00 0.00 173.10 180.72 1ggy h SER 295 N 2.00 0.25 0.00 1.64 0.02 -1.02 -3.42 113.55 113.02 1ggy h SER 295 Ca -0.25 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ggy h SER 295 Cb 1.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1ggy h SER 295 CO 0.32 0.89 0.00 0.52 -1.14 0.00 0.00 176.83 177.42 1ggy n VAL 296 N -3.76 0.00 0.18 2.27 0.31 -1.26 -1.99 118.33 114.08 1ggy n VAL 296 Ca -0.03 1.09 0.15 0.00 -0.01 0.00 0.00 64.34 65.54 1ggy n VAL 296 Cb 0.71 -1.55 0.76 0.00 -0.91 0.00 0.00 33.84 32.84 1ggy n VAL 296 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1ggy h ASP 297 N 0.00 0.00 0.56 4.52 2.03 -1.97 -0.98 116.42 120.58 1ggy h ASP 297 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1ggy h ASP 297 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1ggy h ASP 297 CO 0.00 0.00 -0.27 0.40 -1.03 0.00 0.00 179.24 178.34 1ggy h ILE 298 N 0.00 0.40 -0.63 4.15 2.04 -1.69 0.63 117.51 122.40 1ggy h ILE 298 Ca 0.09 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1ggy h ILE 298 Cb 0.42 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1ggy h ILE 298 CO -0.00 0.03 0.40 -0.07 0.00 0.00 0.00 178.15 178.51 1ggy h LEU 299 N -0.90 0.66 -0.78 1.44 3.38 -0.94 0.25 115.31 118.42 1ggy h LEU 299 Ca -0.08 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1ggy h LEU 299 Cb 0.63 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1ggy h LEU 299 CO 0.13 0.46 -0.19 -0.07 0.09 0.00 0.00 178.44 178.86 1ggy h LEU 300 N 0.79 0.73 -0.83 1.67 3.38 -1.06 0.34 115.31 120.32 1ggy h LEU 300 Ca 0.25 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1ggy h LEU 300 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1ggy h LEU 300 CO -0.09 0.91 -0.03 -0.08 0.09 0.00 0.00 178.44 179.24 1ggy h GLU 301 N 0.64 0.84 0.18 1.13 4.22 0.81 -2.00 114.58 120.40 1ggy h GLU 301 Ca 0.10 -0.25 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 1ggy h GLU 301 Cb 0.67 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ggy h GLU 301 CO 0.05 0.86 -0.09 -0.92 -2.18 0.00 0.00 179.01 176.73 1ggy h TYR 302 N 0.77 -0.23 -0.40 0.92 3.20 0.17 0.46 116.97 121.87 1ggy h TYR 302 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1ggy h TYR 302 Cb 0.51 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1ggy h TYR 302 CO 0.03 -0.04 0.19 -0.09 -1.64 0.00 0.00 178.16 176.61 1ggy h ARG 303 N -0.38 0.55 0.14 1.82 2.43 -0.82 0.13 114.38 118.25 1ggy h ARG 303 Ca -0.03 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 58.80 1ggy h ARG 303 Cb 0.29 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1ggy h ARG 303 CO 0.04 0.43 -1.25 0.77 -1.51 0.00 0.00 179.97 178.45 1ggy h SER 304 N 0.55 0.59 1.09 -3.80 0.02 -1.20 -3.29 113.55 107.51 1ggy h SER 304 Ca 0.14 -0.59 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 1ggy h SER 304 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1ggy h SER 304 CO -0.02 1.44 -0.96 0.77 -1.14 0.00 0.00 176.83 176.92 1ggy h SER 305 N 0.14 0.00 -0.68 3.07 4.64 -0.82 -3.47 113.55 116.43 1ggy h SER 305 Ca -0.16 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.87 1ggy h SER 305 Cb 1.95 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.93 1ggy h SER 305 CO 0.22 0.48 -0.27 -0.62 -0.87 0.00 0.00 176.83 175.77 1ggy n GLU 306 N -3.01 -1.53 -4.31 4.77 1.02 0.46 -4.94 120.64 113.09 1ggy n GLU 306 Ca -0.04 1.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.94 1ggy n GLU 306 Cb 0.76 -5.36 -0.10 0.00 -0.02 0.00 0.00 31.44 26.72 1ggy n GLU 306 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ggy s ASN 307 N -2.57 1.51 0.32 1.62 -0.87 -1.25 -5.07 114.94 108.63 1ggy s ASN 307 Ca 0.00 -1.27 -0.29 0.00 -1.57 0.00 0.00 52.86 49.73 1ggy s ASN 307 Cb 0.00 0.08 -0.10 0.00 -0.02 0.00 0.00 41.25 41.21 1ggy s ASN 307 CO 0.00 -0.61 1.32 -2.84 -2.57 0.00 0.00 177.10 172.41 1ggy s PRO 308 N -3.93 4.34 0.02 -0.60 0.02 -1.25 -4.67 135.00 128.94 1ggy s PRO 308 Ca 0.31 2.22 -0.24 0.00 0.02 0.00 0.00 61.00 63.31 1ggy s PRO 308 Cb 0.07 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.46 1ggy s PRO 308 CO 0.10 -0.22 0.72 0.08 -0.33 0.00 0.00 177.00 177.35 1ggy s VAL 309 N -0.96 4.80 -0.14 3.83 1.01 0.19 -4.84 120.40 124.28 1ggy s VAL 309 Ca 0.50 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.97 1ggy s VAL 309 Cb -0.40 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1ggy s VAL 309 CO 0.51 0.37 0.01 -0.13 0.00 0.00 0.00 175.10 175.86 1ggy s ARG 310 N -0.01 3.56 0.25 2.72 0.52 -1.26 -1.03 118.95 123.70 1ggy s ARG 310 Ca 0.37 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1ggy s ARG 310 Cb -0.20 -2.98 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1ggy s ARG 310 CO 0.21 0.40 0.11 0.71 0.02 0.00 0.00 175.30 176.76 1ggy s TYR 311 N -0.04 1.47 0.20 -0.53 2.02 -0.83 -1.60 117.35 118.04 1ggy s TYR 311 Ca 0.04 -1.24 -0.00 0.00 -0.37 0.00 0.00 57.07 55.49 1ggy s TYR 311 Cb -0.13 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1ggy s TYR 311 CO 0.02 -0.42 0.10 0.20 -1.57 0.00 0.00 175.55 173.88 1ggy s GLY 312 N -3.29 1.44 0.16 0.71 0.00 0.96 -3.95 107.32 103.35 1ggy s GLY 312 Ca 0.38 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.42 1ggy s GLY 312 CO 0.14 -1.46 0.15 -1.06 0.00 0.00 0.00 173.10 170.86 1ggy n GLN 313 N -0.30 0.21 0.04 2.90 6.02 -1.26 -1.52 117.38 123.47 1ggy n GLN 313 Ca -0.00 -1.53 -0.12 0.00 -0.01 0.00 0.00 57.00 55.34 1ggy n GLN 313 Cb 0.65 1.29 -0.05 0.00 1.02 0.00 0.00 30.24 33.15 1ggy n GLN 313 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ggy h TRP 315 N -0.45 0.04 -0.07 0.00 0.09 -1.99 -0.86 115.95 112.72 1ggy h TRP 315 Ca 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 58.89 59.03 1ggy h TRP 315 Cb 0.57 -0.01 -0.00 0.00 0.08 0.00 0.00 29.16 29.79 1ggy h TRP 315 CO -0.38 0.20 -0.03 0.28 0.09 0.00 0.00 178.44 178.60 1ggy h VAL 316 N 0.04 1.33 -0.35 0.12 2.07 -1.51 -0.96 116.25 116.98 1ggy h VAL 316 Ca 0.01 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1ggy h VAL 316 Cb 0.31 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1ggy h VAL 316 CO 0.02 0.29 0.04 -0.26 0.02 0.00 0.00 177.57 177.68 1ggy h PHE 317 N -0.24 0.05 -0.79 1.57 0.04 -0.66 -2.08 116.94 114.83 1ggy h PHE 317 Ca 0.01 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.91 1ggy h PHE 317 Cb 0.48 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 1ggy h PHE 317 CO 0.07 -0.02 0.52 0.00 -0.60 0.00 0.00 178.31 178.28 1ggy h ALA 318 N 1.28 1.79 -0.09 2.45 0.00 -0.96 -0.43 119.26 123.30 1ggy h ALA 318 Ca 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1ggy h ALA 318 Cb 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ggy h ALA 318 CO -0.25 0.04 -0.50 0.78 0.00 0.00 0.00 179.25 179.32 1ggy h GLY 319 N 0.70 0.55 1.00 0.00 0.00 -0.73 -0.65 103.07 103.94 1ggy h GLY 319 Ca 0.37 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1ggy h GLY 319 CO -0.14 0.70 0.29 -2.08 0.00 0.00 0.00 176.54 175.31 1ggy h VAL 320 N 0.08 1.22 -0.29 4.60 2.07 -0.94 -2.10 116.25 120.89 1ggy h VAL 320 Ca -0.04 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1ggy h VAL 320 Cb 1.15 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ggy h VAL 320 CO 0.10 0.26 0.04 0.15 0.02 0.00 0.00 177.57 178.14 1ggy h PHE 321 N 0.87 0.52 -0.00 1.57 3.57 -1.12 -1.72 116.94 120.63 1ggy h PHE 321 Ca 0.21 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ggy h PHE 321 Cb 0.14 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1ggy h PHE 321 CO 0.00 0.59 0.07 -0.97 -2.23 0.00 0.00 178.31 175.77 1ggy h ASN 322 N 0.31 0.00 0.00 0.41 -1.24 -0.90 0.19 115.58 114.35 1ggy h ASN 322 Ca 0.09 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1ggy h ASN 322 Cb 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1ggy h ASN 322 CO 0.01 0.00 -0.00 0.74 -1.29 0.00 0.00 177.43 176.89 1ggy h THR 323 N 0.00 1.71 -0.97 -3.57 2.02 -0.67 -3.13 112.91 108.31 1ggy h THR 323 Ca 0.00 -2.23 0.18 0.00 0.77 0.00 0.00 66.41 65.13 1ggy h THR 323 Cb 0.14 3.21 -0.10 0.00 -1.74 0.00 0.00 68.15 69.65 1ggy h THR 323 CO -0.00 0.57 0.57 0.15 0.37 0.00 0.00 175.52 177.18 1ggy h PHE 324 N -0.97 1.00 0.08 3.16 3.57 0.18 0.27 116.94 124.23 1ggy h PHE 324 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ggy h PHE 324 Cb 0.94 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1ggy h PHE 324 CO 0.26 0.23 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.47 1ggy h LEU 325 N 0.75 -0.09 -0.70 0.59 3.38 -1.34 -3.25 115.31 114.65 1ggy h LEU 325 Ca 0.55 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ggy h LEU 325 Cb 0.82 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1ggy h LEU 325 CO -0.37 0.54 0.46 0.03 0.09 0.00 0.00 178.44 179.19 1ggy h ARG 326 N -0.79 0.89 -0.95 1.13 3.08 -1.43 0.46 114.38 116.78 1ggy h ARG 326 Ca -0.01 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.09 1ggy h ARG 326 Cb 0.60 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 1ggy h ARG 326 CO 0.02 0.59 0.58 0.00 -1.07 0.00 0.00 179.97 180.09 1ggy n LEU 328 N -4.65 0.39 0.00 0.00 4.77 -0.99 -4.95 117.00 111.58 1ggy n LEU 328 Ca 0.17 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ggy n LEU 328 Cb 0.31 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ggy n LEU 328 CO 0.28 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ggy n GLY 329 N 1.47 0.78 3.66 -0.72 0.00 -0.47 -1.42 105.19 108.49 1ggy n GLY 329 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1ggy n GLY 329 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggy s ILE 330 N -2.00 5.10 -0.39 -0.61 1.01 0.03 -4.35 121.20 119.98 1ggy s ILE 330 Ca 0.00 0.99 -0.27 0.00 0.00 0.00 0.00 60.65 61.36 1ggy s ILE 330 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1ggy s ILE 330 CO 0.00 0.18 2.08 -2.16 0.00 0.00 0.00 174.94 175.03 1ggy s PRO 331 N 1.62 2.83 0.36 2.79 0.04 -1.26 -3.29 135.00 138.09 1ggy s PRO 331 Ca 0.25 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.80 1ggy s PRO 331 Cb -0.15 -4.38 -0.06 0.00 0.04 0.00 0.00 34.50 29.95 1ggy s PRO 331 CO 0.10 -2.45 0.06 0.00 0.04 0.00 0.00 177.00 174.75 1ggy s ALA 332 N 9.04 3.31 -0.14 8.56 0.00 -1.16 -0.63 121.76 140.75 1ggy s ALA 332 Ca 0.87 -2.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1ggy s ALA 332 Cb -0.22 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.66 1ggy s ALA 332 CO 0.30 -0.01 0.89 -0.98 0.00 0.00 0.00 175.76 175.96 1ggy s ARG 333 N -3.77 0.74 -0.09 0.00 1.70 0.19 -4.71 118.95 113.02 1ggy s ARG 333 Ca 0.37 0.23 -0.18 0.00 -0.47 0.00 0.00 55.73 55.68 1ggy s ARG 333 Cb 0.02 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1ggy s ARG 333 CO 0.20 -0.22 0.48 0.42 -1.08 0.00 0.00 175.30 175.10 1ggy s ILE 334 N -1.00 5.13 -0.01 4.99 1.01 -1.26 0.22 121.20 130.28 1ggy s ILE 334 Ca -0.04 0.97 0.05 0.00 0.00 0.00 0.00 60.65 61.63 1ggy s ILE 334 Cb -0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1ggy s ILE 334 CO 0.04 0.37 -0.16 -0.69 0.00 0.00 0.00 174.94 174.50 1ggy s VAL 335 N 0.28 2.92 -0.13 2.92 1.01 0.31 -4.57 120.40 123.15 1ggy s VAL 335 Ca 0.26 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ggy s VAL 335 Cb -0.16 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1ggy s VAL 335 CO 0.11 0.48 -0.20 -0.89 0.00 0.00 0.00 175.10 174.60 1ggy s THR 336 N -0.82 1.89 -0.16 3.92 2.01 -0.78 -0.57 115.64 121.13 1ggy s THR 336 Ca 0.13 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 1ggy s THR 336 Cb -0.11 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1ggy s THR 336 CO 0.03 0.52 -0.02 0.21 -0.69 0.00 0.00 174.62 174.67 1ggy s ASN 337 N 0.81 4.96 -0.12 3.53 3.04 0.13 -1.77 114.94 125.52 1ggy s ASN 337 Ca -0.08 -0.09 -0.15 0.00 0.04 0.00 0.00 52.86 52.57 1ggy s ASN 337 Cb -0.16 -1.82 -0.05 0.00 -1.54 0.00 0.00 41.25 37.69 1ggy s ASN 337 CO -0.01 0.16 0.38 -0.31 -3.04 0.00 0.00 177.10 174.28 1ggy s TYR 338 N 0.40 3.52 -0.66 0.43 2.02 -0.67 -0.43 117.35 121.96 1ggy s TYR 338 Ca -0.02 0.76 -0.00 0.00 -0.37 0.00 0.00 57.07 57.44 1ggy s TYR 338 Cb -0.14 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.02 1ggy s TYR 338 CO 0.02 0.28 0.63 1.19 -1.57 0.00 0.00 175.55 176.11 1ggy n PHE 339 N 3.32 -2.72 -3.74 2.71 3.72 -0.84 -1.42 117.46 118.48 1ggy n PHE 339 Ca -0.10 1.04 -0.37 0.00 -0.05 0.00 0.00 57.45 57.96 1ggy n PHE 339 Cb 0.52 -3.87 -0.12 0.00 -0.94 0.00 0.00 39.48 35.06 1ggy n PHE 339 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ggy s SER 340 N -2.90 5.18 -0.89 4.37 1.04 -0.53 0.14 113.70 120.12 1ggy s SER 340 Ca 0.01 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.57 1ggy s SER 340 Cb -0.00 -1.90 -0.17 0.00 0.10 0.00 0.00 66.02 64.04 1ggy s SER 340 CO 0.68 -0.17 1.91 0.00 0.98 0.00 0.00 173.24 176.64 1ggy n ALA 341 N 4.89 1.83 -1.74 5.32 0.00 -1.04 -2.68 120.51 127.10 1ggy n ALA 341 Ca -0.15 -2.93 -0.32 0.00 0.00 0.00 0.00 53.44 50.04 1ggy n ALA 341 Cb 0.49 -3.54 -0.01 0.00 0.00 0.00 0.00 19.45 16.39 1ggy n ALA 341 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ggy s HIS 342 N 9.87 3.21 -1.40 0.00 5.04 -1.26 -3.77 115.29 126.98 1ggy s HIS 342 Ca 0.68 1.48 0.00 0.00 -1.54 0.00 0.00 55.06 55.67 1ggy s HIS 342 Cb 0.05 -2.90 0.00 0.00 0.04 0.00 0.00 32.58 29.77 1ggy s HIS 342 CO 0.17 -0.80 0.00 -0.25 -2.34 0.00 0.00 174.74 171.52 1ggy n ASP 343 N -1.94 -4.70 0.29 9.88 8.00 -1.26 -4.91 116.55 121.91 1ggy n ASP 343 Ca 0.08 0.33 0.14 0.00 0.71 0.00 0.00 54.79 56.04 1ggy n ASP 343 Cb 0.53 -3.36 0.74 0.00 -0.02 0.00 0.00 41.12 39.02 1ggy n ASP 343 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ggy h ASN 344 N 0.00 0.00 -4.64 -2.24 7.08 -1.90 -3.46 115.58 110.42 1ggy h ASN 344 Ca -0.27 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 52.68 1ggy h ASN 344 Cb 0.90 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.10 1ggy h ASN 344 CO 0.40 0.00 -0.38 -0.67 -2.08 0.00 0.00 177.43 174.70 1ggy n ASP 345 N -2.69 -3.45 0.00 6.14 -0.08 -1.26 -0.03 116.55 115.17 1ggy n ASP 345 Ca -0.02 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1ggy n ASP 345 Cb 0.32 -2.92 0.00 0.00 2.34 0.00 0.00 41.12 40.86 1ggy n ASP 345 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ggy n ALA 346 N -2.78 0.00 -2.13 -1.67 0.00 -1.26 -4.89 120.51 107.78 1ggy n ALA 346 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1ggy n ALA 346 Cb 0.57 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 1ggy n ALA 346 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ggy s ASN 347 N -2.23 7.54 -0.17 0.00 0.01 0.95 -0.74 114.94 120.30 1ggy s ASN 347 Ca 0.00 1.84 0.09 0.00 -0.71 0.00 0.00 52.86 54.07 1ggy s ASN 347 Cb 0.00 -2.59 0.54 0.00 0.41 0.00 0.00 41.25 39.61 1ggy s ASN 347 CO 0.00 -0.00 1.36 0.18 -1.51 0.00 0.00 177.10 177.13 1ggy n LEU 348 N 2.43 4.30 -3.85 0.60 4.77 0.18 -4.86 117.00 120.58 1ggy n LEU 348 Ca 0.01 -2.19 -0.15 0.00 -0.03 0.00 0.00 56.01 53.65 1ggy n LEU 348 Cb 0.49 -0.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.79 1ggy n LEU 348 CO 0.51 0.54 -0.37 -1.10 -1.33 0.00 0.00 177.39 175.63 1ggy s GLN 349 N -2.18 0.18 -0.20 3.23 -0.21 -1.26 -1.02 119.66 118.20 1ggy s GLN 349 Ca 0.37 0.02 -0.08 0.00 0.02 0.00 0.00 55.36 55.69 1ggy s GLN 349 Cb 0.28 -0.29 -0.04 0.00 1.00 0.00 0.00 33.01 33.96 1ggy s GLN 349 CO 0.10 -0.06 0.08 -1.64 -2.12 0.00 0.00 175.29 171.66 1ggy s MET 350 N 0.52 3.98 -0.33 2.91 -1.94 0.62 -4.90 119.30 120.16 1ggy s MET 350 Ca -0.05 -0.33 -0.16 0.00 -1.71 0.00 0.00 55.69 53.44 1ggy s MET 350 Cb -0.07 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.47 1ggy s MET 350 CO -0.01 0.21 0.40 -0.51 -0.01 0.00 0.00 175.02 175.10 1ggy s ASP 351 N 0.56 6.23 -0.28 3.03 1.01 -1.26 -0.55 116.67 125.41 1ggy s ASP 351 Ca 0.04 -0.06 -0.05 0.00 0.71 0.00 0.00 52.55 53.19 1ggy s ASP 351 Cb -0.13 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.60 1ggy s ASP 351 CO 0.01 -0.34 0.03 -0.63 0.21 0.00 0.00 175.17 174.45 1ggy s ILE 352 N 2.12 3.55 -0.34 0.77 -1.09 -0.75 -4.63 121.20 120.82 1ggy s ILE 352 Ca 0.14 -0.83 -0.18 0.00 -2.23 0.00 0.00 60.65 57.55 1ggy s ILE 352 Cb -0.16 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 1ggy s ILE 352 CO 0.12 0.12 0.50 -0.36 -1.23 0.00 0.00 174.94 174.08 1ggy s PHE 353 N 1.43 3.19 0.34 3.97 0.08 -1.26 -1.31 117.98 124.43 1ggy s PHE 353 Ca 0.01 0.22 -0.09 0.00 0.12 0.00 0.00 56.93 57.19 1ggy s PHE 353 Cb -0.17 -2.88 -0.06 0.00 -0.57 0.00 0.00 43.02 39.34 1ggy s PHE 353 CO -0.00 -0.50 0.68 -0.51 -0.10 0.00 0.00 175.22 174.80 1ggy s LEU 354 N 2.35 3.96 0.62 -0.37 1.02 0.21 0.32 118.68 126.79 1ggy s LEU 354 Ca 0.18 1.02 0.02 0.00 0.02 0.00 0.00 54.13 55.37 1ggy s LEU 354 Cb -0.16 -3.86 0.08 0.00 0.02 0.00 0.00 46.19 42.28 1ggy s LEU 354 CO 0.13 -0.29 0.86 -0.70 0.02 0.00 0.00 176.35 176.37 1ggy s GLU 355 N -3.55 2.16 0.31 1.70 2.12 0.44 -2.08 118.70 119.81 1ggy s GLU 355 Ca 0.49 -1.08 0.01 0.00 0.36 0.00 0.00 54.97 54.76 1ggy s GLU 355 Cb -0.10 -2.46 0.56 0.00 0.26 0.00 0.00 34.13 32.38 1ggy s GLU 355 CO 0.28 -1.01 1.92 0.93 -0.54 0.00 0.00 175.26 176.84 1ggy h GLU 356 N -0.13 0.96 0.00 4.30 4.39 -1.87 -2.36 114.58 119.87 1ggy h GLU 356 Ca -0.38 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1ggy h GLU 356 Cb 1.28 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1ggy h GLU 356 CO 0.45 0.64 -0.25 -0.40 -1.16 0.00 0.00 179.01 178.28 1ggy n ASP 357 N -4.48 0.31 0.00 1.42 5.68 -1.26 -4.89 116.55 113.33 1ggy n ASP 357 Ca 0.13 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 1ggy n ASP 357 Cb 0.19 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1ggy n ASP 357 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ggy n GLY 358 N 1.48 1.45 3.76 6.12 0.00 -0.89 -4.72 105.19 112.39 1ggy n GLY 358 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1ggy n GLY 358 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ggy s ASN 359 N -1.93 6.99 -0.16 1.61 0.01 -1.25 -4.60 114.94 115.61 1ggy s ASN 359 Ca 0.00 1.18 -0.29 0.00 -0.71 0.00 0.00 52.86 53.04 1ggy s ASN 359 Cb 0.00 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 1ggy s ASN 359 CO 0.00 0.09 1.93 -0.69 -1.51 0.00 0.00 177.10 176.92 1ggy s VAL 360 N -0.17 3.27 -0.72 1.60 1.01 -1.26 0.17 120.40 124.30 1ggy s VAL 360 Ca 0.32 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 1ggy s VAL 360 Cb -0.18 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1ggy s VAL 360 CO 0.18 -0.13 1.12 0.21 0.00 0.00 0.00 175.10 176.48 1ggy s ASN 361 N 5.86 6.20 0.00 3.32 3.84 0.15 -4.88 114.94 129.44 1ggy s ASN 361 Ca 0.87 -0.82 0.17 0.00 0.21 0.00 0.00 52.86 53.28 1ggy s ASN 361 Cb -0.32 -2.48 0.72 0.00 -0.55 0.00 0.00 41.25 38.61 1ggy s ASN 361 CO 0.35 -1.60 1.53 -1.54 -2.79 0.00 0.00 177.10 173.05 1ggy n SER 362 N 8.42 0.00 -0.00 -4.21 3.41 -1.26 -1.41 113.62 118.56 1ggy n SER 362 Ca 0.02 0.49 -0.18 0.00 -0.26 0.00 0.00 58.87 58.94 1ggy n SER 362 Cb 0.47 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1ggy n SER 362 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ggy h LYS 363 N 0.00 0.65 0.05 4.33 1.63 -1.96 -3.38 116.57 117.89 1ggy h LYS 363 Ca 0.00 -0.60 -0.36 0.00 -0.85 0.00 0.00 60.65 58.84 1ggy h LYS 363 Cb 0.29 0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 1ggy h LYS 363 CO 0.00 1.21 -2.03 1.28 -3.45 0.00 0.00 179.45 176.45 1ggy n LEU 364 N -4.03 2.42 -4.56 5.20 4.32 -1.12 -4.74 117.00 114.49 1ggy n LEU 364 Ca -0.09 0.20 -0.17 0.00 -0.02 0.00 0.00 56.01 55.93 1ggy n LEU 364 Cb 0.74 -0.99 -0.07 0.00 -1.62 0.00 0.00 43.42 41.48 1ggy n LEU 364 CO 0.51 0.69 1.23 -0.89 -1.22 0.00 0.00 177.39 177.72 1ggy s THR 365 N -2.50 3.12 -0.39 -5.08 2.01 -0.50 -4.65 115.64 107.66 1ggy s THR 365 Ca -0.30 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 61.65 1ggy s THR 365 Cb 0.08 -3.42 0.18 0.00 0.01 0.00 0.00 72.50 69.35 1ggy s THR 365 CO 0.64 -0.25 1.14 0.29 -0.69 0.00 0.00 174.62 175.76 1ggy n LYS 366 N 8.71 2.82 -4.18 4.92 4.76 -1.26 -4.78 118.16 129.14 1ggy n LYS 366 Ca 0.45 -1.89 -0.35 0.00 -2.87 0.00 0.00 58.31 53.64 1ggy n LYS 366 Cb 0.45 -1.20 -0.08 0.00 -1.84 0.00 0.00 35.03 32.35 1ggy n LYS 366 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ggy s ASP 367 N -1.20 5.67 0.01 4.39 1.01 -1.26 -5.10 116.67 120.18 1ggy s ASP 367 Ca 0.14 0.26 0.04 0.00 0.71 0.00 0.00 52.55 53.71 1ggy s ASP 367 Cb 0.09 -1.69 -0.01 0.00 1.01 0.00 0.00 42.92 42.31 1ggy s ASP 367 CO 0.07 0.38 -0.13 -0.94 0.21 0.00 0.00 175.17 174.76 1ggy s SER 368 N -1.00 1.58 -0.19 0.27 1.04 -1.26 -4.94 113.70 109.20 1ggy s SER 368 Ca 0.15 -0.31 -0.09 0.00 0.48 0.00 0.00 55.95 56.17 1ggy s SER 368 Cb -0.12 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1ggy s SER 368 CO 0.04 0.12 0.12 0.68 0.98 0.00 0.00 173.24 175.18 1ggy s VAL 369 N -0.49 5.32 0.15 5.02 -7.23 -1.25 -4.67 120.40 117.25 1ggy s VAL 369 Ca 0.04 0.16 -0.31 0.00 -1.81 0.00 0.00 61.98 60.06 1ggy s VAL 369 Cb -0.06 -3.41 -0.09 0.00 0.56 0.00 0.00 36.38 33.38 1ggy s VAL 369 CO 0.00 0.47 1.41 0.26 -0.31 0.00 0.00 175.10 176.93 1ggy s TRP 370 N 0.18 3.20 0.33 2.82 0.52 -0.89 -3.83 118.94 121.27 1ggy s TRP 370 Ca 0.08 0.95 0.06 0.00 0.02 0.00 0.00 56.10 57.21 1ggy s TRP 370 Cb -0.11 -3.72 0.71 0.00 -1.15 0.00 0.00 33.47 29.20 1ggy s TRP 370 CO -0.01 -2.50 1.86 -0.91 0.02 0.00 0.00 176.95 175.42 1ggy h ASN 371 N 6.40 0.76 -4.89 2.95 4.21 -0.02 -1.32 115.58 123.68 1ggy h ASN 371 Ca -0.43 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1ggy h ASN 371 Cb 1.21 -0.11 -0.15 0.00 -1.12 0.00 0.00 38.32 38.15 1ggy h ASN 371 CO 0.85 0.40 0.28 -0.72 -1.29 0.00 0.00 177.43 176.95 1ggy s TYR 372 N -5.78 -0.52 -0.10 1.19 -0.85 -1.25 -1.99 117.35 108.04 1ggy s TYR 372 Ca -0.11 0.48 -0.07 0.00 -0.52 0.00 0.00 57.07 56.86 1ggy s TYR 372 Cb 0.22 0.52 0.03 0.00 0.38 0.00 0.00 41.96 43.11 1ggy s TYR 372 CO 0.80 -0.72 0.25 -1.58 -1.52 0.00 0.00 175.55 172.78 1ggy s HIS 373 N -2.98 -0.30 -0.18 -3.49 2.46 0.43 -4.87 115.29 106.36 1ggy s HIS 373 Ca -0.01 0.72 -0.05 0.00 0.47 0.00 0.00 55.06 56.20 1ggy s HIS 373 Cb -0.01 0.08 -0.03 0.00 -0.13 0.00 0.00 32.58 32.49 1ggy s HIS 373 CO -0.07 -0.18 -0.01 0.00 -2.47 0.00 0.00 174.74 172.01 1ggy s TRP 375 N 0.61 0.45 0.64 0.00 -2.14 0.27 -4.54 118.94 114.23 1ggy s TRP 375 Ca -0.01 -0.82 -0.10 0.00 2.66 0.00 0.00 56.10 57.83 1ggy s TRP 375 Cb -0.14 -0.32 -0.01 0.00 -3.10 0.00 0.00 33.47 29.90 1ggy s TRP 375 CO 0.02 -0.28 1.02 -0.80 -2.66 0.00 0.00 176.95 174.26 1ggy s ASN 376 N -2.29 5.86 -0.05 -2.66 -0.87 -0.22 -0.53 114.94 114.17 1ggy s ASN 376 Ca -0.02 1.18 -0.00 0.00 -1.57 0.00 0.00 52.86 52.45 1ggy s ASN 376 Cb -0.00 -2.15 0.03 0.00 -0.02 0.00 0.00 41.25 39.10 1ggy s ASN 376 CO -0.06 -1.05 -0.01 -1.61 -2.57 0.00 0.00 177.10 171.80 1ggy s GLU 377 N -5.19 0.59 -0.07 -0.60 2.02 0.13 -0.75 118.70 114.84 1ggy s GLU 377 Ca 0.55 0.03 0.06 0.00 0.02 0.00 0.00 54.97 55.63 1ggy s GLU 377 Cb -0.11 -0.79 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 1ggy s GLU 377 CO 0.51 -0.19 -0.25 0.00 0.02 0.00 0.00 175.26 175.36 1ggy s ALA 378 N 1.38 2.14 -0.09 5.21 0.00 -0.60 -0.63 121.76 129.16 1ggy s ALA 378 Ca -0.04 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 1ggy s ALA 378 Cb -0.13 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1ggy s ALA 378 CO -0.02 0.38 0.60 -0.46 0.00 0.00 0.00 175.76 176.26 1ggy s TRP 379 N -0.03 3.54 -0.25 0.00 -0.11 0.20 -1.00 118.94 121.30 1ggy s TRP 379 Ca -0.07 1.08 -0.35 0.00 1.22 0.00 0.00 56.10 57.98 1ggy s TRP 379 Cb -0.15 -2.69 0.16 0.00 -1.50 0.00 0.00 33.47 29.29 1ggy s TRP 379 CO 0.05 0.11 1.30 0.00 -4.62 0.00 0.00 176.95 173.79 1ggy s MET 380 N 0.77 0.16 0.36 5.86 0.23 -0.29 -4.44 119.30 121.96 1ggy s MET 380 Ca 0.32 -0.03 -0.14 0.00 -1.03 0.00 0.00 55.69 54.80 1ggy s MET 380 Cb -0.16 0.07 -0.08 0.00 -1.53 0.00 0.00 34.83 33.12 1ggy s MET 380 CO 0.14 -0.06 0.78 0.95 -2.03 0.00 0.00 175.02 174.80 1ggy s THR 381 N -1.88 4.67 -0.48 3.16 -4.23 -1.14 -0.39 115.64 115.36 1ggy s THR 381 Ca 0.10 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1ggy s THR 381 Cb -0.01 -3.64 0.13 0.00 1.34 0.00 0.00 72.50 70.31 1ggy s THR 381 CO -0.04 -0.31 0.25 -0.13 -0.54 0.00 0.00 174.62 173.85 1ggy s ARG 382 N -3.27 2.05 0.00 3.99 1.81 -1.26 -4.89 118.95 117.38 1ggy s ARG 382 Ca 0.54 -2.21 0.28 0.00 -1.72 0.00 0.00 55.73 52.63 1ggy s ARG 382 Cb -0.10 -3.49 1.14 0.00 -0.45 0.00 0.00 34.95 32.04 1ggy s ARG 382 CO 0.21 -1.08 1.80 -0.35 -0.68 0.00 0.00 175.30 175.20 1ggy n PRO 383 N 3.89 0.92 0.00 3.54 -0.04 -1.26 -3.74 135.00 138.31 1ggy n PRO 383 Ca 0.03 -0.40 0.13 0.00 -0.04 0.00 0.00 63.50 63.22 1ggy n PRO 383 Cb 0.38 -1.49 0.40 0.00 -0.04 0.00 0.00 33.50 32.75 1ggy n PRO 383 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ggy n ASP 384 N -0.69 0.87 -4.28 3.54 5.68 -1.26 -4.93 116.55 115.48 1ggy n ASP 384 Ca 0.15 -0.75 -0.25 0.00 -0.50 0.00 0.00 54.79 53.45 1ggy n ASP 384 Cb 0.29 0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.30 1ggy n ASP 384 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ggy s LEU 385 N -2.57 2.07 0.00 -2.12 1.43 -1.25 -5.09 118.68 111.16 1ggy s LEU 385 Ca 0.23 -1.58 -0.15 0.00 -1.03 0.00 0.00 54.13 51.60 1ggy s LEU 385 Cb 0.19 -0.24 0.24 0.00 0.03 0.00 0.00 46.19 46.41 1ggy s LEU 385 CO 0.54 -0.82 0.53 -2.65 0.23 0.00 0.00 176.35 174.17 1ggy n PRO 386 N -0.86 -2.40 -3.83 1.29 -0.02 -1.26 -4.95 135.00 122.97 1ggy n PRO 386 Ca -0.06 -0.89 -0.37 0.00 -2.02 0.00 0.00 63.50 60.16 1ggy n PRO 386 Cb 0.66 -1.49 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 1ggy n PRO 386 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ggy s VAL 387 N -1.97 5.43 0.00 -1.45 0.11 -1.26 -4.16 120.40 117.10 1ggy s VAL 387 Ca 0.41 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1ggy s VAL 387 Cb -0.07 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 1ggy s VAL 387 CO 0.34 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 173.29 1ggy n GLY 388 N 1.80 1.39 0.53 6.54 0.00 -1.26 -4.97 105.19 109.22 1ggy n GLY 388 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1ggy n GLY 388 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ggy n PHE 389 N 0.00 0.00 -1.48 1.61 3.72 -1.26 -4.90 117.46 115.15 1ggy n PHE 389 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1ggy n PHE 389 Cb 0.00 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.71 1ggy n PHE 389 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ggy s GLY 390 N -1.71 1.61 0.00 1.37 0.00 -1.26 -4.70 107.32 102.64 1ggy s GLY 390 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1ggy s GLY 390 CO 0.32 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1ggy n GLY 391 N -2.13 0.29 3.67 0.20 0.00 0.48 -4.91 105.19 102.78 1ggy n GLY 391 Ca 0.09 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 1ggy n GLY 391 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ggy s TRP 392 N 0.00 2.91 -0.19 1.61 0.23 -1.26 -1.13 118.94 121.10 1ggy s TRP 392 Ca 0.00 1.02 -0.01 0.00 -2.03 0.00 0.00 56.10 55.08 1ggy s TRP 392 Cb 0.00 -3.51 0.00 0.00 0.03 0.00 0.00 33.47 29.99 1ggy s TRP 392 CO 0.00 -1.74 -0.12 -0.65 0.96 0.00 0.00 176.95 175.40 1ggy s GLN 393 N 3.07 3.20 -0.13 4.98 -1.52 -0.17 -2.24 119.66 126.84 1ggy s GLN 393 Ca 0.56 -0.73 -0.29 0.00 -1.95 0.00 0.00 55.36 52.96 1ggy s GLN 393 Cb -0.24 -2.77 -0.02 0.00 -0.22 0.00 0.00 33.01 29.76 1ggy s GLN 393 CO 0.18 -0.17 1.20 0.00 -0.25 0.00 0.00 175.29 176.25 1ggy s ALA 394 N 1.29 3.59 -0.15 6.09 0.00 0.56 -1.56 121.76 131.58 1ggy s ALA 394 Ca 0.04 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1ggy s ALA 394 Cb -0.14 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1ggy s ALA 394 CO -0.07 -0.98 -0.14 0.08 0.00 0.00 0.00 175.76 174.66 1ggy s VAL 395 N 2.92 1.57 -0.35 0.00 1.01 0.08 -1.83 120.40 123.80 1ggy s VAL 395 Ca 0.53 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1ggy s VAL 395 Cb -0.22 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 34.75 1ggy s VAL 395 CO 0.16 0.42 0.09 -0.62 0.00 0.00 0.00 175.10 175.15 1ggy s ASP 396 N 1.48 5.04 0.00 3.32 2.15 -1.09 -1.06 116.67 126.51 1ggy s ASP 396 Ca 0.04 -1.65 0.30 0.00 0.43 0.00 0.00 52.55 51.67 1ggy s ASP 396 Cb -0.13 -1.75 1.72 0.00 -0.30 0.00 0.00 42.92 42.45 1ggy s ASP 396 CO -0.10 -0.38 2.11 -1.54 -0.17 0.00 0.00 175.17 175.09 1ggy n SER 397 N 4.58 0.14 -4.50 -0.34 3.41 -1.26 -0.80 113.62 114.85 1ggy n SER 397 Ca -0.07 -1.10 -0.43 0.00 -0.26 0.00 0.00 58.87 57.00 1ggy n SER 397 Cb 0.42 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1ggy n SER 397 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ggy s THR 398 N -2.00 4.49 0.84 6.66 2.01 -1.26 -4.50 115.64 121.88 1ggy s THR 398 Ca 0.44 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.34 1ggy s THR 398 Cb 0.21 -4.50 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1ggy s THR 398 CO 0.34 -1.09 0.65 -0.81 -0.69 0.00 0.00 174.62 173.03 1ggy n PRO 399 N 7.21 0.00 -3.58 4.92 -0.04 -1.26 -4.75 135.00 137.51 1ggy n PRO 399 Ca -0.01 0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1ggy n PRO 399 Cb 0.47 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 1ggy n PRO 399 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1ggy s GLN 400 N -3.49 0.90 -0.35 0.54 -2.07 -0.86 -4.85 119.66 109.48 1ggy s GLN 400 Ca 0.64 -0.40 -0.29 0.00 -1.82 0.00 0.00 55.36 53.49 1ggy s GLN 400 Cb -0.27 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.02 1ggy s GLN 400 CO 0.60 -0.40 1.41 -1.21 -1.32 0.00 0.00 175.29 174.37 1ggy s GLU 401 N -3.12 3.71 0.43 9.60 0.41 -1.26 -1.68 118.70 126.78 1ggy s GLU 401 Ca 0.07 1.13 0.00 0.00 -0.41 0.00 0.00 54.97 55.77 1ggy s GLU 401 Cb -0.01 -3.98 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 1ggy s GLU 401 CO -0.05 -1.39 0.02 0.27 -0.49 0.00 0.00 175.26 173.61 1ggy n ASN 402 N 8.42 3.14 -0.33 -0.19 0.23 -1.26 -4.47 115.26 120.81 1ggy n ASN 402 Ca 0.16 -2.85 0.36 0.00 -0.53 0.00 0.00 54.58 51.72 1ggy n ASN 402 Cb 0.47 0.28 0.75 0.00 -2.08 0.00 0.00 39.78 39.20 1ggy n ASN 402 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ggy h SER 403 N 1.00 0.00 0.90 0.53 4.64 -1.97 0.25 113.55 118.89 1ggy h SER 403 Ca -0.35 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.76 1ggy h SER 403 Cb 1.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1ggy h SER 403 CO 0.58 0.00 -1.17 0.44 -0.87 0.00 0.00 176.83 175.81 1ggy h ASP 404 N 0.00 0.00 0.00 4.97 5.19 -1.96 -3.49 116.42 121.13 1ggy h ASP 404 Ca 0.57 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1ggy h ASP 404 Cb 2.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.85 1ggy h ASP 404 CO -0.01 0.89 0.00 0.61 -3.12 0.00 0.00 179.24 177.61 1ggy n GLY 405 N 1.39 0.15 2.34 2.75 0.00 0.89 -5.00 105.19 107.72 1ggy n GLY 405 Ca -0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 1ggy n GLY 405 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ggy n MET 406 N 0.00 -1.03 -3.94 1.61 0.00 -1.18 -4.88 117.12 107.71 1ggy n MET 406 Ca 0.00 1.23 -0.12 0.00 -0.00 0.00 0.00 57.70 58.82 1ggy n MET 406 Cb 0.00 -3.93 -0.00 0.00 0.00 0.00 0.00 33.22 29.29 1ggy n MET 406 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1ggy s TYR 407 N -2.52 0.59 0.71 1.12 2.02 -0.68 -4.74 117.35 113.85 1ggy s TYR 407 Ca 0.06 -1.06 -0.14 0.00 -0.37 0.00 0.00 57.07 55.57 1ggy s TYR 407 Cb -0.02 0.41 0.03 0.00 -0.40 0.00 0.00 41.96 41.98 1ggy s TYR 407 CO 0.44 -1.39 1.12 -0.98 -1.57 0.00 0.00 175.55 173.17 1ggy s ARG 408 N -2.58 2.48 -0.64 -0.62 1.04 -1.26 -2.02 118.95 115.35 1ggy s ARG 408 Ca 0.23 1.42 -0.08 0.00 -1.04 0.00 0.00 55.73 56.25 1ggy s ARG 408 Cb -0.03 -1.91 0.17 0.00 -2.04 0.00 0.00 34.95 31.14 1ggy s ARG 408 CO 0.16 -1.51 0.51 0.00 -0.04 0.00 0.00 175.30 174.43 1ggy n GLY 410 N 4.06 -1.72 3.66 0.00 0.00 -1.26 -2.68 105.19 107.26 1ggy n GLY 410 Ca 0.05 -0.06 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 1ggy n GLY 410 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ggy n PRO 411 N 1.66 1.11 -4.01 1.61 -0.02 -1.26 -4.56 135.00 129.53 1ggy n PRO 411 Ca -0.01 0.40 -0.24 0.00 -2.02 0.00 0.00 63.50 61.64 1ggy n PRO 411 Cb 0.39 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.63 1ggy n PRO 411 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggy s ALA 412 N 2.35 0.97 -0.01 3.55 0.00 -0.76 -0.32 121.76 127.55 1ggy s ALA 412 Ca 0.93 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1ggy s ALA 412 Cb -1.04 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 1ggy s ALA 412 CO 0.59 -0.27 2.00 0.45 0.00 0.00 0.00 175.76 178.53 1ggy s SER 413 N 1.48 6.30 0.44 0.00 0.15 -1.26 -0.32 113.70 120.47 1ggy s SER 413 Ca -0.01 2.54 0.11 0.00 0.70 0.00 0.00 55.95 59.28 1ggy s SER 413 Cb -0.13 -2.53 0.96 0.00 -1.71 0.00 0.00 66.02 62.62 1ggy s SER 413 CO -0.04 -1.20 2.04 0.58 1.20 0.00 0.00 173.24 175.83 1ggy h VAL 414 N 5.87 1.10 -0.54 4.45 2.07 -1.75 -0.29 116.25 127.16 1ggy h VAL 414 Ca -0.48 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1ggy h VAL 414 Cb 1.24 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1ggy h VAL 414 CO 0.94 0.12 0.15 1.56 0.02 0.00 0.00 177.57 180.36 1ggy h GLN 415 N 0.27 0.81 -0.03 1.57 1.08 -1.86 0.90 115.11 117.85 1ggy h GLN 415 Ca 0.07 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1ggy h GLN 415 Cb 0.10 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1ggy h GLN 415 CO -0.00 0.72 -0.00 0.00 -0.95 0.00 0.00 178.83 178.59 1ggy h ALA 416 N 1.38 0.04 -0.07 3.87 0.00 -1.42 -2.13 119.26 120.94 1ggy h ALA 416 Ca 0.18 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ggy h ALA 416 Cb 0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1ggy h ALA 416 CO -0.01 -0.28 -0.45 0.82 0.00 0.00 0.00 179.25 179.33 1ggy h ILE 417 N -0.26 0.00 -1.24 0.00 1.08 -0.77 0.64 117.51 116.96 1ggy h ILE 417 Ca 0.01 0.00 0.36 0.00 -0.39 0.00 0.00 64.86 64.84 1ggy h ILE 417 Cb 0.35 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.03 1ggy h ILE 417 CO 0.00 0.00 0.87 0.50 -0.69 0.00 0.00 178.15 178.83 1ggy h LYS 418 N -0.52 0.08 -0.01 2.37 3.64 -0.80 -0.11 116.57 121.23 1ggy h LYS 418 Ca 0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ggy h LYS 418 Cb 0.58 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ggy h LYS 418 CO -0.34 0.05 -0.60 0.72 -2.27 0.00 0.00 179.45 177.02 1ggy n HIS 419 N -4.28 0.00 -0.01 1.91 8.25 0.17 -4.63 115.22 116.62 1ggy n HIS 419 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1ggy n HIS 419 Cb 1.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.37 1ggy n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ggy n GLY 420 N 1.37 0.86 3.27 -1.41 0.00 0.17 -4.31 105.19 105.14 1ggy n GLY 420 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1ggy n GLY 420 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ggy n HIS 421 N -2.00 2.50 1.74 1.61 8.25 -1.07 -3.00 115.22 123.24 1ggy n HIS 421 Ca 0.00 -1.85 0.14 0.00 -0.26 0.00 0.00 57.72 55.75 1ggy n HIS 421 Cb 0.00 -2.15 0.68 0.00 1.12 0.00 0.00 29.99 29.63 1ggy n HIS 421 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1ggy n VAL 422 N 6.59 0.03 1.46 1.59 0.24 -1.26 -3.43 118.33 123.55 1ggy n VAL 422 Ca 0.48 -0.12 0.15 0.00 -2.04 0.00 0.00 64.34 62.80 1ggy n VAL 422 Cb 0.43 -0.04 0.77 0.00 -1.47 0.00 0.00 33.84 33.53 1ggy n VAL 422 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ggy s PHE 424 N -2.51 3.13 0.99 0.00 0.08 -1.22 -5.08 117.98 113.37 1ggy s PHE 424 Ca 0.30 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.65 1ggy s PHE 424 Cb 0.20 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1ggy s PHE 424 CO 0.44 -0.42 -0.23 0.00 -0.10 0.00 0.00 175.22 174.92 1ggy n GLN 425 N 4.94 -0.30 -4.58 0.44 10.64 -1.26 -4.46 117.38 122.79 1ggy n GLN 425 Ca -0.15 -0.07 -0.34 0.00 -1.83 0.00 0.00 57.00 54.61 1ggy n GLN 425 Cb 0.50 -1.46 -0.11 0.00 -0.86 0.00 0.00 30.24 28.31 1ggy n GLN 425 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1ggy s PHE 426 N -2.21 2.97 -0.86 2.61 0.08 0.56 -4.56 117.98 116.56 1ggy s PHE 426 Ca 0.49 0.04 -0.06 0.00 0.12 0.00 0.00 56.93 57.52 1ggy s PHE 426 Cb -0.17 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1ggy s PHE 426 CO 0.73 0.35 0.23 -0.25 -0.10 0.00 0.00 175.22 176.19 1ggy n ASP 427 N 2.17 -2.50 -0.26 1.36 8.00 -1.26 -4.02 116.55 120.04 1ggy n ASP 427 Ca -0.18 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1ggy n ASP 427 Cb 0.53 -2.16 0.13 0.00 -0.02 0.00 0.00 41.12 39.60 1ggy n ASP 427 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ggy h ALA 428 N 0.97 1.01 -0.71 2.24 0.00 -1.80 -2.84 119.26 118.14 1ggy h ALA 428 Ca -0.27 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1ggy h ALA 428 Cb 1.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1ggy h ALA 428 CO 0.36 0.08 0.47 -1.35 0.00 0.00 0.00 179.25 178.80 1ggy h PRO 429 N 0.74 0.70 -0.03 0.00 0.11 -1.90 -0.21 132.00 131.41 1ggy h PRO 429 Ca 0.34 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 1ggy h PRO 429 Cb 0.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1ggy h PRO 429 CO -0.21 0.47 -0.51 0.74 -0.21 0.00 0.00 178.00 178.28 1ggy h PHE 430 N 0.72 0.09 0.03 0.65 0.04 -1.89 -1.67 116.94 114.92 1ggy h PHE 430 Ca 0.31 -0.03 -0.31 0.00 2.80 0.00 0.00 57.97 60.74 1ggy h PHE 430 Cb 0.27 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 1ggy h PHE 430 CO -0.00 0.57 -1.74 -0.24 -0.60 0.00 0.00 178.31 176.30 1ggy h VAL 431 N 0.06 0.84 0.00 -0.55 3.04 -1.40 -3.14 116.25 115.09 1ggy h VAL 431 Ca -0.00 -2.65 -0.01 0.00 -1.01 0.00 0.00 66.70 63.03 1ggy h VAL 431 Cb 0.92 2.47 -0.00 0.00 -2.01 0.00 0.00 31.29 32.67 1ggy h VAL 431 CO 0.07 0.61 -0.05 0.15 -1.01 0.00 0.00 177.57 177.34 1ggy h PHE 432 N 0.02 0.00 0.00 3.17 3.57 -0.98 -1.27 116.94 121.45 1ggy h PHE 432 Ca -0.30 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.11 1ggy h PHE 432 Cb 2.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.74 1ggy h PHE 432 CO 0.02 0.05 -0.56 0.00 -2.23 0.00 0.00 178.31 175.59 1ggy h ALA 433 N 1.95 0.73 0.00 2.41 0.00 -1.38 -2.70 119.26 120.27 1ggy h ALA 433 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1ggy h ALA 433 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ggy h ALA 433 CO 0.01 0.49 -0.17 0.93 0.00 0.00 0.00 179.25 180.50 1ggy h GLU 434 N 0.00 0.00 -0.01 0.00 5.08 -1.17 -3.03 114.58 115.45 1ggy h GLU 434 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ggy h GLU 434 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ggy h GLU 434 CO 0.04 0.17 -0.22 1.33 -1.00 0.00 0.00 179.01 179.33 1ggy n VAL 435 N -3.54 0.00 -0.46 3.13 0.24 -1.20 -2.48 118.33 114.03 1ggy n VAL 435 Ca -0.01 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1ggy n VAL 435 Cb 0.32 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1ggy n VAL 435 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ggy n ASN 436 N -0.04 1.13 -4.58 -1.34 3.02 -1.02 -4.40 115.26 108.02 1ggy n ASN 436 Ca 0.06 -1.58 -0.29 0.00 -0.03 0.00 0.00 54.58 52.74 1ggy n ASN 436 Cb 0.28 -0.01 0.19 0.00 -0.61 0.00 0.00 39.78 39.63 1ggy n ASN 436 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ggy s SER 437 N -0.59 2.29 0.05 6.41 0.01 -1.17 -4.95 113.70 115.74 1ggy s SER 437 Ca 0.00 1.11 0.06 0.00 1.31 0.00 0.00 55.95 58.44 1ggy s SER 437 Cb 0.00 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1ggy s SER 437 CO 0.00 -3.33 -0.18 -1.81 0.41 0.00 0.00 173.24 168.33 1ggy s ASP 438 N -3.47 2.10 0.04 2.44 1.01 -0.19 -4.60 116.67 114.00 1ggy s ASP 438 Ca 0.66 -0.53 -0.22 0.00 0.71 0.00 0.00 52.55 53.17 1ggy s ASP 438 Cb -0.18 -0.14 -0.06 0.00 1.01 0.00 0.00 42.92 43.55 1ggy s ASP 438 CO 0.58 0.07 0.66 -0.76 0.21 0.00 0.00 175.17 175.93 1ggy s LEU 439 N -1.33 4.47 -0.22 1.23 1.43 -1.05 -0.28 118.68 122.92 1ggy s LEU 439 Ca 0.04 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 1ggy s LEU 439 Cb -0.09 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.13 1ggy s LEU 439 CO 0.02 0.13 -0.14 -0.63 0.23 0.00 0.00 176.35 175.96 1ggy s ILE 440 N -0.45 2.04 -0.38 -0.59 -1.09 0.29 -0.67 121.20 120.34 1ggy s ILE 440 Ca 0.33 -1.30 -0.23 0.00 -2.23 0.00 0.00 60.65 57.22 1ggy s ILE 440 Cb -0.20 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 1ggy s ILE 440 CO 0.20 0.20 0.79 -0.31 -1.23 0.00 0.00 174.94 174.59 1ggy s TYR 441 N 1.22 3.08 -0.07 3.97 2.02 0.21 -1.81 117.35 125.97 1ggy s TYR 441 Ca -0.03 0.48 0.04 0.00 -0.37 0.00 0.00 57.07 57.19 1ggy s TYR 441 Cb -0.17 -3.47 -0.00 0.00 -0.40 0.00 0.00 41.96 37.92 1ggy s TYR 441 CO -0.08 -0.79 -0.21 0.42 -1.57 0.00 0.00 175.55 173.31 1ggy s ILE 442 N 3.16 1.77 -0.35 2.71 1.01 -0.43 0.11 121.20 129.17 1ggy s ILE 442 Ca 0.31 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1ggy s ILE 442 Cb -0.13 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1ggy s ILE 442 CO 0.18 0.50 0.65 -0.89 0.00 0.00 0.00 174.94 175.38 1ggy s THR 443 N 0.19 4.87 -0.86 2.92 2.01 0.15 0.65 115.64 125.57 1ggy s THR 443 Ca -0.11 0.63 -0.21 0.00 0.31 0.00 0.00 61.69 62.32 1ggy s THR 443 Cb -0.15 -4.09 0.10 0.00 0.01 0.00 0.00 72.50 68.37 1ggy s THR 443 CO 0.05 -0.32 1.13 0.00 -0.69 0.00 0.00 174.62 174.79 1ggy s ALA 444 N 2.75 3.19 0.78 7.40 0.00 -0.88 -1.01 121.76 133.98 1ggy s ALA 444 Ca 0.25 -2.41 -0.15 0.00 0.00 0.00 0.00 51.96 49.65 1ggy s ALA 444 Cb -0.14 -4.07 -0.01 0.00 0.00 0.00 0.00 23.12 18.90 1ggy s ALA 444 CO 0.15 -3.02 0.62 1.63 0.00 0.00 0.00 175.76 175.14 1ggy n LYS 445 N 7.26 0.20 0.27 0.00 5.02 0.17 -4.59 118.16 126.49 1ggy n LYS 445 Ca 0.17 0.12 0.10 0.00 -2.02 0.00 0.00 58.31 56.68 1ggy n LYS 445 Cb 0.48 -1.94 0.72 0.00 -0.02 0.00 0.00 35.03 34.27 1ggy n LYS 445 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ggy h LYS 446 N -0.64 0.00 -0.01 1.97 1.79 -1.95 -2.56 116.57 115.18 1ggy h LYS 446 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1ggy h LYS 446 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1ggy h LYS 446 CO 0.42 0.05 -0.20 -0.40 -1.08 0.00 0.00 179.45 178.24 1ggy n ASP 447 N -4.15 0.98 0.00 0.86 5.68 -1.26 -4.92 116.55 113.74 1ggy n ASP 447 Ca -0.03 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1ggy n ASP 447 Cb 0.14 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1ggy n ASP 447 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ggy n GLY 448 N 1.31 1.42 3.60 6.12 0.00 -0.96 -5.12 105.19 111.56 1ggy n GLY 448 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1ggy n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ggy s THR 449 N -1.35 2.13 -0.01 2.61 2.01 -1.26 -4.74 115.64 115.03 1ggy s THR 449 Ca 0.00 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1ggy s THR 449 Cb 0.00 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.39 1ggy s THR 449 CO 0.00 -0.05 -0.02 -1.00 -0.69 0.00 0.00 174.62 172.86 1ggy s HIS 450 N -2.60 0.27 -0.04 4.92 3.76 -1.26 0.46 115.29 120.80 1ggy s HIS 450 Ca 0.67 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 55.53 1ggy s HIS 450 Cb -0.23 -0.24 0.03 0.00 1.11 0.00 0.00 32.58 33.25 1ggy s HIS 450 CO 0.61 -0.04 0.04 0.54 -0.85 0.00 0.00 174.74 175.04 1ggy s VAL 451 N 0.29 0.00 -0.00 -0.90 0.11 -0.18 -4.94 120.40 114.78 1ggy s VAL 451 Ca -0.03 0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 59.07 1ggy s VAL 451 Cb -0.05 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1ggy s VAL 451 CO -0.01 0.19 1.07 0.68 -3.33 0.00 0.00 175.10 173.70 1ggy s VAL 452 N 2.03 4.56 -0.18 2.04 -7.23 -1.26 0.32 120.40 120.68 1ggy s VAL 452 Ca 0.04 1.84 0.07 0.00 -1.81 0.00 0.00 61.98 62.12 1ggy s VAL 452 Cb -0.12 -4.18 -0.22 0.00 0.56 0.00 0.00 36.38 32.42 1ggy s VAL 452 CO -0.03 0.11 0.11 -0.62 -0.31 0.00 0.00 175.10 174.35 1ggy n GLU 453 N 4.19 0.68 -3.46 4.82 -0.58 0.30 -4.91 120.64 121.68 1ggy n GLU 453 Ca 0.08 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1ggy n GLU 453 Cb 0.49 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 1ggy n GLU 453 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ggy s ASN 454 N -6.21 -0.56 -0.09 1.62 3.04 -0.84 -4.78 114.94 107.10 1ggy s ASN 454 Ca -0.20 0.18 -0.01 0.00 0.04 0.00 0.00 52.86 52.87 1ggy s ASN 454 Cb 0.07 0.56 0.03 0.00 -1.54 0.00 0.00 41.25 40.37 1ggy s ASN 454 CO 0.74 -0.83 -0.05 0.54 -3.04 0.00 0.00 177.10 174.46 1ggy s VAL 455 N -3.01 0.76 -0.63 -5.21 0.11 -1.26 0.66 120.40 111.82 1ggy s VAL 455 Ca -0.01 -0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.72 1ggy s VAL 455 Cb -0.01 -0.84 0.11 0.00 -1.53 0.00 0.00 36.38 34.12 1ggy s VAL 455 CO -0.07 0.32 0.75 -0.62 -3.33 0.00 0.00 175.10 172.16 1ggy s ASP 456 N 1.78 6.24 -0.09 3.54 2.15 0.16 -4.89 116.67 125.56 1ggy s ASP 456 Ca 0.04 -1.52 0.08 0.00 0.43 0.00 0.00 52.55 51.58 1ggy s ASP 456 Cb -0.12 -2.31 0.38 0.00 -0.30 0.00 0.00 42.92 40.56 1ggy s ASP 456 CO -0.07 -1.10 1.13 0.00 -0.17 0.00 0.00 175.17 174.96 1ggy n ALA 457 N 6.30 3.01 -0.30 3.66 0.00 -1.26 -2.54 120.51 129.39 1ggy n ALA 457 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1ggy n ALA 457 Cb 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1ggy n ALA 457 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ggy n THR 458 N 0.35 0.57 -0.05 0.00 -2.24 -1.26 -4.91 114.28 106.74 1ggy n THR 458 Ca 0.13 -0.63 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 1ggy n THR 458 Cb 0.62 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1ggy n THR 458 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1ggy h HIS 459 N 0.00 0.00 -3.93 4.78 2.76 -1.90 -3.44 115.15 113.42 1ggy h HIS 459 Ca 0.00 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.64 1ggy h HIS 459 Cb 0.55 0.00 0.10 0.00 1.55 0.00 0.00 27.41 29.61 1ggy h HIS 459 CO 0.00 0.00 0.74 0.42 -1.30 0.00 0.00 177.93 177.79 1ggy s ILE 460 N -1.74 2.24 -1.22 6.26 1.01 -1.26 -3.29 121.20 123.20 1ggy s ILE 460 Ca -0.07 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 1ggy s ILE 460 Cb 0.01 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1ggy s ILE 460 CO 0.11 0.06 0.78 0.61 0.00 0.00 0.00 174.94 176.49 1ggy n GLY 461 N 0.55 -0.58 0.16 6.18 0.00 0.38 -4.78 105.19 107.10 1ggy n GLY 461 Ca 0.01 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 1ggy n GLY 461 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ggy h LYS 462 N -1.74 0.28 -2.75 1.61 3.64 -1.41 -3.45 116.57 112.74 1ggy h LYS 462 Ca -0.62 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 58.39 1ggy h LYS 462 Cb 1.35 0.05 -0.25 0.00 -0.41 0.00 0.00 32.23 32.97 1ggy h LYS 462 CO 0.52 0.90 -0.28 -1.17 -2.27 0.00 0.00 179.45 177.16 1ggy s LEU 463 N -7.76 0.32 -0.11 5.20 0.20 -1.26 -5.05 118.68 110.22 1ggy s LEU 463 Ca -0.04 0.81 0.01 0.00 0.69 0.00 0.00 54.13 55.60 1ggy s LEU 463 Cb 0.11 1.32 0.02 0.00 -0.43 0.00 0.00 46.19 47.20 1ggy s LEU 463 CO 0.82 -0.15 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.95 1ggy s ILE 464 N 0.62 1.46 0.15 6.68 1.01 -1.26 -1.67 121.20 128.18 1ggy s ILE 464 Ca -0.03 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1ggy s ILE 464 Cb -0.05 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1ggy s ILE 464 CO -0.04 0.43 -0.13 -0.69 0.00 0.00 0.00 174.94 174.51 1ggy s VAL 465 N 1.05 1.41 0.08 2.92 1.01 -0.73 -0.74 120.40 125.40 1ggy s VAL 465 Ca -0.05 -1.91 -0.18 0.00 0.00 0.00 0.00 61.98 59.84 1ggy s VAL 465 Cb -0.15 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.54 1ggy s VAL 465 CO -0.02 -0.52 0.41 0.28 0.00 0.00 0.00 175.10 175.25 1ggy s THR 466 N -2.57 0.06 0.46 3.92 -1.32 0.90 -1.87 115.64 115.22 1ggy s THR 466 Ca 0.14 -0.49 -0.24 0.00 -1.21 0.00 0.00 61.69 59.89 1ggy s THR 466 Cb -0.02 -1.04 -0.08 0.00 -1.51 0.00 0.00 72.50 69.84 1ggy s THR 466 CO 0.03 -0.27 1.24 1.17 -2.21 0.00 0.00 174.62 174.58 1ggy n LYS 467 N 0.20 1.75 -1.97 7.08 4.81 -1.26 0.17 118.16 128.95 1ggy n LYS 467 Ca -0.17 0.63 -0.32 0.00 -0.87 0.00 0.00 58.31 57.58 1ggy n LYS 467 Cb 0.61 -2.38 0.01 0.00 0.02 0.00 0.00 35.03 33.29 1ggy n LYS 467 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1ggy s GLN 468 N -2.37 3.51 0.09 1.64 -2.07 0.60 -4.55 119.66 116.51 1ggy s GLN 468 Ca 0.64 0.91 -0.18 0.00 -1.82 0.00 0.00 55.36 54.91 1ggy s GLN 468 Cb -0.48 -2.07 -0.08 0.00 -1.09 0.00 0.00 33.01 29.29 1ggy s GLN 468 CO 0.55 -0.64 1.52 0.82 -1.32 0.00 0.00 175.29 176.23 1ggy h ILE 469 N 0.02 1.26 0.00 3.63 2.04 -1.93 -3.38 117.51 119.15 1ggy h ILE 469 Ca -0.45 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1ggy h ILE 469 Cb 1.20 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1ggy h ILE 469 CO 0.60 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.65 1ggy n GLY 470 N -0.30 -2.68 0.00 5.37 0.00 -1.26 -4.90 105.19 101.41 1ggy n GLY 470 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ggy n GLY 470 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggy n GLY 471 N -0.25 3.88 0.20 -0.02 0.00 -1.26 -4.98 105.19 102.76 1ggy n GLY 471 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1ggy n GLY 471 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ggy n ASP 472 N -0.65 0.23 -3.58 1.61 8.00 -1.26 -3.96 116.55 116.93 1ggy n ASP 472 Ca 0.00 -1.11 -0.30 0.00 0.71 0.00 0.00 54.79 54.08 1ggy n ASP 472 Cb 0.00 -0.11 0.26 0.00 -0.02 0.00 0.00 41.12 41.24 1ggy n ASP 472 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ggy s GLY 473 N -1.04 1.56 0.14 0.44 0.00 -1.26 -4.76 107.32 102.41 1ggy s GLY 473 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 1ggy s GLY 473 CO 0.00 -0.09 0.33 -0.29 0.00 0.00 0.00 173.10 173.05 1ggy s MET 474 N -5.46 3.53 -0.12 2.90 1.75 -1.26 -0.29 119.30 120.35 1ggy s MET 474 Ca 0.72 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.82 1ggy s MET 474 Cb -0.08 -2.90 0.05 0.00 2.84 0.00 0.00 34.83 34.73 1ggy s MET 474 CO 0.56 0.48 0.07 1.41 -0.65 0.00 0.00 175.02 176.90 1ggy s MET 475 N -2.88 0.05 -0.45 4.11 0.00 0.45 -4.34 119.30 116.23 1ggy s MET 475 Ca 0.38 0.10 -0.29 0.00 0.00 0.00 0.00 55.69 55.88 1ggy s MET 475 Cb -0.12 -1.28 0.01 0.00 0.00 0.00 0.00 34.83 33.44 1ggy s MET 475 CO 0.27 -0.52 1.37 0.34 0.00 0.00 0.00 175.02 176.48 1ggy s ASP 476 N 2.13 6.34 -0.23 1.11 -1.08 -1.26 -0.07 116.67 123.62 1ggy s ASP 476 Ca 0.03 0.65 0.13 0.00 -0.52 0.00 0.00 52.55 52.84 1ggy s ASP 476 Cb -0.14 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.25 1ggy s ASP 476 CO -0.06 -1.46 1.39 2.30 0.52 0.00 0.00 175.17 177.85 1ggy n ILE 477 N 7.01 2.35 -0.19 4.11 -5.35 0.09 -4.69 119.36 122.69 1ggy n ILE 477 Ca 0.15 -2.47 -0.03 0.00 -0.27 0.00 0.00 62.75 60.13 1ggy n ILE 477 Cb 0.48 -0.28 0.07 0.00 -1.74 0.00 0.00 39.64 38.17 1ggy n ILE 477 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ggy h THR 478 N 1.10 0.94 -0.01 7.28 2.02 -1.85 -1.90 112.91 120.49 1ggy h THR 478 Ca 0.11 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1ggy h THR 478 Cb 1.45 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1ggy h THR 478 CO 0.25 0.10 0.06 0.44 0.37 0.00 0.00 175.52 176.75 1ggy h ASP 479 N 0.54 0.00 -0.12 4.18 3.32 -1.84 -2.07 116.42 120.43 1ggy h ASP 479 Ca 0.25 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 1ggy h ASP 479 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1ggy h ASP 479 CO -0.18 0.00 -0.43 0.71 -1.72 0.00 0.00 179.24 177.63 1ggy h THR 480 N 0.00 1.37 0.00 0.35 1.35 -1.71 -3.28 112.91 110.99 1ggy h THR 480 Ca 0.01 -1.73 -0.03 0.00 -0.55 0.00 0.00 66.41 64.10 1ggy h THR 480 Cb 0.13 2.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1ggy h THR 480 CO -0.00 0.52 -0.14 1.88 -0.25 0.00 0.00 175.52 177.53 1ggy h TYR 481 N 0.11 0.00 -2.62 4.73 -1.99 -1.46 -3.40 116.97 112.35 1ggy h TYR 481 Ca -0.02 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.77 1ggy h TYR 481 Cb 1.06 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.66 1ggy h TYR 481 CO 0.11 0.14 0.36 -1.59 -0.00 0.00 0.00 178.16 177.18 1ggy s LYS 482 N -3.31 1.10 0.00 4.88 -2.85 -0.99 -3.43 119.74 115.14 1ggy s LYS 482 Ca 0.04 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 1ggy s LYS 482 Cb 0.07 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1ggy s LYS 482 CO 0.66 -0.49 0.00 1.19 0.10 0.00 0.00 175.35 176.81 1ggy n PHE 483 N -0.33 -3.05 -3.40 1.78 3.72 -1.26 -4.28 117.46 110.64 1ggy n PHE 483 Ca -0.11 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.91 1ggy n PHE 483 Cb 0.63 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 1ggy n PHE 483 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1ggy s GLN 484 N -2.13 4.29 -0.02 -1.08 1.11 -1.26 -4.99 119.66 115.58 1ggy s GLN 484 Ca 0.00 0.33 -0.36 0.00 0.01 0.00 0.00 55.36 55.35 1ggy s GLN 484 Cb 0.00 -3.42 -0.14 0.00 -1.01 0.00 0.00 33.01 28.44 1ggy s GLN 484 CO 0.00 0.21 1.68 0.39 0.01 0.00 0.00 175.29 177.59 1ggy n GLU 485 N 3.54 1.83 0.00 2.91 -0.58 -1.26 -1.76 120.64 125.31 1ggy n GLU 485 Ca -0.09 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1ggy n GLU 485 Cb 0.52 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 1ggy n GLU 485 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ggy n GLY 486 N 3.77 1.81 3.96 0.62 0.00 -1.26 -5.10 105.19 109.00 1ggy n GLY 486 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1ggy n GLY 486 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ggy s GLN 487 N -0.12 3.34 0.12 1.61 -2.07 -0.72 -4.96 119.66 116.85 1ggy s GLN 487 Ca 0.00 -0.58 -0.26 0.00 -1.82 0.00 0.00 55.36 52.70 1ggy s GLN 487 Cb 0.00 -2.73 -0.06 0.00 -1.09 0.00 0.00 33.01 29.13 1ggy s GLN 487 CO 0.00 0.13 1.64 0.93 -1.32 0.00 0.00 175.29 176.68 1ggy h GLU 488 N 0.82 -0.38 -0.24 9.60 4.39 -1.99 -1.42 114.58 125.36 1ggy h GLU 488 Ca -0.49 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.31 1ggy h GLU 488 Cb 1.23 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 1ggy h GLU 488 CO 0.59 -0.25 0.25 1.05 -1.16 0.00 0.00 179.01 179.49 1ggy h GLU 489 N -0.39 0.00 -0.01 2.33 9.09 -1.96 -0.54 114.58 123.10 1ggy h GLU 489 Ca 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.44 1ggy h GLU 489 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1ggy h GLU 489 CO -0.19 0.00 -0.08 1.49 0.05 0.00 0.00 179.01 180.28 1ggy h GLU 490 N 0.00 0.07 -0.46 1.06 4.22 -1.63 -2.02 114.58 115.81 1ggy h GLU 490 Ca 0.12 -0.06 0.07 0.00 0.08 0.00 0.00 59.36 59.56 1ggy h GLU 490 Cb 0.61 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1ggy h GLU 490 CO -0.00 0.78 0.12 -0.09 -2.18 0.00 0.00 179.01 177.64 1ggy h ARG 491 N -0.62 0.27 0.68 1.92 2.43 -0.23 -1.92 114.38 116.90 1ggy h ARG 491 Ca -0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1ggy h ARG 491 Cb 0.80 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1ggy h ARG 491 CO 0.02 0.18 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.12 1ggy h LEU 492 N 0.27 -1.19 -0.96 3.80 3.38 -1.15 0.16 115.31 119.62 1ggy h LEU 492 Ca 0.22 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.53 1ggy h LEU 492 Cb 0.26 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.24 1ggy h LEU 492 CO -0.27 -0.68 0.50 0.00 0.09 0.00 0.00 178.44 178.08 1ggy h ALA 493 N -1.17 1.70 0.07 1.53 0.00 -1.26 0.63 119.26 120.77 1ggy h ALA 493 Ca -0.09 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ggy h ALA 493 Cb 0.88 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ggy h ALA 493 CO 0.06 -0.39 -0.04 1.25 0.00 0.00 0.00 179.25 180.13 1ggy h LEU 494 N 0.42 -0.09 -2.16 0.00 5.85 -0.76 0.18 115.31 118.75 1ggy h LEU 494 Ca 0.64 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.20 1ggy h LEU 494 Cb 1.30 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1ggy h LEU 494 CO -0.54 0.09 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.25 1ggy h GLU 495 N -0.26 0.00 0.01 1.25 5.08 0.24 -1.14 114.58 119.76 1ggy h GLU 495 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ggy h GLU 495 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ggy h GLU 495 CO 0.02 0.07 -0.14 1.15 -1.00 0.00 0.00 179.01 179.11 1ggy h THR 496 N 0.00 1.67 -0.49 1.13 2.02 0.63 -3.11 112.91 114.77 1ggy h THR 496 Ca -0.00 -2.16 0.01 0.00 0.77 0.00 0.00 66.41 65.03 1ggy h THR 496 Cb 0.20 3.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.71 1ggy h THR 496 CO 0.01 0.57 0.32 0.00 0.37 0.00 0.00 175.52 176.79 1ggy h ALA 497 N 0.12 1.66 0.00 6.16 0.00 -0.30 0.10 119.26 127.00 1ggy h ALA 497 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ggy h ALA 497 Cb 1.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ggy h ALA 497 CO 0.03 0.31 -0.02 -0.07 0.00 0.00 0.00 179.25 179.50 1ggy h LEU 498 N 0.65 0.00 -0.42 0.00 -0.00 -1.24 -0.81 115.31 113.49 1ggy h LEU 498 Ca 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.96 1ggy h LEU 498 Cb -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1ggy h LEU 498 CO -0.04 0.02 -0.47 -0.03 -0.00 0.00 0.00 178.44 177.92 1ggy h MET 499 N 0.00 0.00 -0.60 1.13 4.05 -0.72 -3.30 114.93 115.49 1ggy h MET 499 Ca -0.00 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.22 1ggy h MET 499 Cb 0.04 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 30.72 1ggy h MET 499 CO 0.00 0.47 0.19 0.66 0.23 0.00 0.00 176.91 178.46 1ggy n TYR 500 N -3.36 1.96 0.00 1.39 4.01 -0.34 -4.94 117.16 115.88 1ggy n TYR 500 Ca 0.01 -1.30 0.00 0.00 -0.16 0.00 0.00 57.90 56.45 1ggy n TYR 500 Cb 0.65 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1ggy n TYR 500 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ggy n GLY 501 N -0.54 0.75 3.77 2.72 0.00 -1.18 -4.68 105.19 106.03 1ggy n GLY 501 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 1ggy n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggy s ALA 502 N -2.00 3.47 -0.14 4.61 0.00 -1.02 -4.97 121.76 121.70 1ggy s ALA 502 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 1ggy s ALA 502 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1ggy s ALA 502 CO 0.00 -0.49 0.11 0.15 0.00 0.00 0.00 175.76 175.53 1ggy s LYS 503 N -1.64 3.65 -0.52 0.00 1.02 0.08 -4.55 119.74 117.78 1ggy s LYS 503 Ca 0.48 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 56.32 1ggy s LYS 503 Cb -0.37 -3.20 0.23 0.00 -0.52 0.00 0.00 37.83 33.96 1ggy s LYS 503 CO 0.49 0.58 0.56 1.17 -0.92 0.00 0.00 175.35 177.23 1ggy n LYS 504 N 2.60 1.38 -0.33 1.68 4.81 -1.26 0.49 118.16 127.52 1ggy n LYS 504 Ca -0.18 -3.86 0.08 0.00 -0.87 0.00 0.00 58.31 53.47 1ggy n LYS 504 Cb 0.54 -1.77 0.25 0.00 0.02 0.00 0.00 35.03 34.06 1ggy n LYS 504 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1ggy h PRO 505 N 4.51 0.75 -5.43 1.64 0.13 -1.97 -3.43 132.00 128.20 1ggy h PRO 505 Ca 0.16 -0.05 -0.60 0.00 -0.87 0.00 0.00 66.00 64.64 1ggy h PRO 505 Cb 0.80 -0.17 -0.10 0.00 0.13 0.00 0.00 31.00 31.65 1ggy h PRO 505 CO 0.61 0.50 -0.40 -0.51 -0.23 0.00 0.00 178.00 177.96 1ggy s LEU 506 N -10.30 4.25 -0.16 1.56 1.43 -1.26 -5.03 118.68 109.17 1ggy s LEU 506 Ca -0.12 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 1ggy s LEU 506 Cb 0.22 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1ggy s LEU 506 CO 0.79 0.17 1.51 0.21 0.23 0.00 0.00 176.35 179.26 1ggy s ASN 507 N 0.24 6.65 0.42 2.29 2.47 -1.26 -5.16 114.94 120.59 1ggy s ASN 507 Ca 0.13 1.81 0.02 0.00 0.42 0.00 0.00 52.86 55.24 1ggy s ASN 507 Cb -0.12 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1ggy s ASN 507 CO 0.02 -1.00 0.62 -0.89 -3.72 0.00 0.00 177.10 172.12 1ggy s THR 508 N 4.29 3.97 -0.51 -5.21 2.01 -1.26 -4.97 115.64 113.97 1ggy s THR 508 Ca 0.66 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.06 1ggy s THR 508 Cb -0.26 -3.44 0.07 0.00 0.01 0.00 0.00 72.50 68.88 1ggy s THR 508 CO 0.25 -0.27 0.83 -1.20 -0.69 0.00 0.00 174.62 173.53 1ggy n SER 516 N -1.96 1.78 -2.04 3.53 7.64 -1.26 -5.19 113.62 116.13 1ggy n SER 516 Ca 0.01 -1.51 -0.09 0.00 1.01 0.00 0.00 58.87 58.29 1ggy n SER 516 Cb 0.58 -0.04 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1ggy n SER 516 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ggy n ASN 517 N 0.13 -2.83 -4.09 6.43 4.13 -1.26 -4.58 115.26 113.19 1ggy n ASN 517 Ca 0.04 -0.27 -0.33 0.00 1.68 0.00 0.00 54.58 55.70 1ggy n ASN 517 Cb 0.20 -2.60 -0.15 0.00 -1.54 0.00 0.00 39.78 35.69 1ggy n ASN 517 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ggy s VAL 518 N -3.16 2.39 -0.16 2.41 1.01 -1.26 -0.97 120.40 120.66 1ggy s VAL 518 Ca 0.11 -1.70 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 1ggy s VAL 518 Cb -0.05 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1ggy s VAL 518 CO 0.33 -0.14 0.37 -1.81 0.00 0.00 0.00 175.10 173.85 1ggy s ASP 519 N 1.13 6.50 -0.06 3.32 1.11 0.35 -4.89 116.67 124.12 1ggy s ASP 519 Ca -0.05 0.58 0.01 0.00 0.18 0.00 0.00 52.55 53.27 1ggy s ASP 519 Cb -0.20 -2.22 0.02 0.00 1.07 0.00 0.00 42.92 41.59 1ggy s ASP 519 CO -0.05 0.02 -0.06 -0.32 1.18 0.00 0.00 175.17 175.95 1ggy s MET 520 N 0.76 1.05 0.06 8.23 -2.45 -1.26 0.72 119.30 126.41 1ggy s MET 520 Ca 0.20 -0.17 -0.07 0.00 -1.25 0.00 0.00 55.69 54.40 1ggy s MET 520 Cb -0.14 -1.03 -0.01 0.00 1.25 0.00 0.00 34.83 34.90 1ggy s MET 520 CO 0.07 -0.09 0.14 0.34 1.05 0.00 0.00 175.02 176.53 1ggy s ASP 521 N 1.00 0.15 -0.02 1.11 2.15 -1.16 -4.91 116.67 115.00 1ggy s ASP 521 Ca -0.09 -0.58 0.02 0.00 0.43 0.00 0.00 52.55 52.33 1ggy s ASP 521 Cb -0.14 0.28 0.01 0.00 -0.30 0.00 0.00 42.92 42.76 1ggy s ASP 521 CO -0.00 -0.60 -0.06 0.72 -0.17 0.00 0.00 175.17 175.05 1ggy s PHE 522 N -3.15 0.73 -0.12 -5.34 -0.12 -1.26 -1.88 117.98 106.84 1ggy s PHE 522 Ca -0.00 -0.17 -0.05 0.00 -0.05 0.00 0.00 56.93 56.66 1ggy s PHE 522 Cb 0.02 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1ggy s PHE 522 CO -0.07 -0.09 0.05 -1.83 -0.05 0.00 0.00 175.22 173.23 1ggy s GLU 523 N 0.29 3.36 -0.12 1.99 -1.05 -0.72 -4.99 118.70 117.47 1ggy s GLU 523 Ca -0.04 -0.32 0.02 0.00 -0.15 0.00 0.00 54.97 54.49 1ggy s GLU 523 Cb -0.08 -3.00 0.01 0.00 -0.44 0.00 0.00 34.13 30.61 1ggy s GLU 523 CO 0.00 0.61 -0.19 0.08 0.95 0.00 0.00 175.26 176.71 1ggy s VAL 524 N -0.60 1.77 0.41 1.83 1.01 -1.26 -0.94 120.40 122.62 1ggy s VAL 524 Ca 0.11 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1ggy s VAL 524 Cb -0.12 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.59 1ggy s VAL 524 CO 0.02 0.49 0.87 -1.83 0.00 0.00 0.00 175.10 174.66 1ggy s GLU 525 N 0.82 4.09 -0.24 2.72 -1.05 -1.22 -5.00 118.70 118.82 1ggy s GLU 525 Ca -0.09 0.91 -0.15 0.00 -0.15 0.00 0.00 54.97 55.49 1ggy s GLU 525 Cb -0.16 -2.27 -0.04 0.00 -0.44 0.00 0.00 34.13 31.23 1ggy s GLU 525 CO 0.00 -0.01 0.38 1.21 0.95 0.00 0.00 175.26 177.79 1ggy s ASN 526 N -2.41 6.34 0.37 0.83 2.47 -1.26 -4.68 114.94 116.60 1ggy s ASN 526 Ca 0.58 0.39 0.07 0.00 0.42 0.00 0.00 52.86 54.33 1ggy s ASN 526 Cb -0.10 -2.22 -0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1ggy s ASN 526 CO 0.18 -0.12 0.36 0.00 -3.72 0.00 0.00 177.10 173.80 1ggy s ALA 527 N 1.66 4.01 0.59 1.71 0.00 -1.26 -5.00 121.76 123.46 1ggy s ALA 527 Ca 0.17 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.35 1ggy s ALA 527 Cb -0.15 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 1ggy s ALA 527 CO 0.09 -0.10 0.91 0.08 0.00 0.00 0.00 175.76 176.74 1ggy s VAL 528 N -2.35 3.91 -0.31 0.00 1.01 -1.26 -2.85 120.40 118.54 1ggy s VAL 528 Ca 0.45 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1ggy s VAL 528 Cb -0.06 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1ggy s VAL 528 CO 0.28 -0.59 2.25 -0.11 0.00 0.00 0.00 175.10 176.93 1ggy n LEU 529 N -2.59 2.74 0.00 3.92 -0.00 -1.13 -1.44 117.00 118.50 1ggy n LEU 529 Ca 0.04 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1ggy n LEU 529 Cb 0.57 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 1ggy n LEU 529 CO 0.54 -0.82 0.00 0.61 -0.00 0.00 0.00 177.39 177.72 1ggy n GLY 530 N 6.05 1.05 3.45 -3.96 0.00 -1.26 -5.03 105.19 105.49 1ggy n GLY 530 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 1ggy n GLY 530 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ggy s LYS 531 N -0.77 2.04 0.40 1.61 1.02 -0.52 -4.82 119.74 118.71 1ggy s LYS 531 Ca 0.00 -1.00 -0.25 0.00 0.02 0.00 0.00 55.97 54.74 1ggy s LYS 531 Cb 0.00 -2.17 -0.08 0.00 -0.52 0.00 0.00 37.83 35.06 1ggy s LYS 531 CO 0.00 0.54 1.13 -0.51 -0.92 0.00 0.00 175.35 175.59 1ggy s ASP 532 N -1.44 6.55 0.10 2.83 1.11 -1.26 -4.33 116.67 120.22 1ggy s ASP 532 Ca 0.14 2.26 -0.08 0.00 0.18 0.00 0.00 52.55 55.05 1ggy s ASP 532 Cb -0.10 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 1ggy s ASP 532 CO 0.05 -0.65 0.19 0.72 1.18 0.00 0.00 175.17 176.66 1ggy s PHE 533 N -1.49 0.22 0.61 4.23 -0.12 0.34 -4.92 117.98 116.86 1ggy s PHE 533 Ca 0.58 -0.65 -0.05 0.00 -0.05 0.00 0.00 56.93 56.75 1ggy s PHE 533 Cb -0.28 -0.09 0.13 0.00 -0.63 0.00 0.00 43.02 42.15 1ggy s PHE 533 CO 0.35 -0.56 0.84 1.63 -0.05 0.00 0.00 175.22 177.43 1ggy n LYS 534 N -0.07 -0.36 -3.10 1.99 5.02 -1.26 0.09 118.16 120.47 1ggy n LYS 534 Ca -0.14 -1.80 0.05 0.00 -2.02 0.00 0.00 58.31 54.41 1ggy n LYS 534 Cb 0.62 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 1ggy n LYS 534 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ggy s LEU 535 N 0.00 -0.39 0.08 -0.35 0.20 -1.17 -3.37 118.68 113.67 1ggy s LEU 535 Ca 0.52 0.01 -0.14 0.00 0.69 0.00 0.00 54.13 55.21 1ggy s LEU 535 Cb -0.02 1.15 -0.06 0.00 -0.43 0.00 0.00 46.19 46.82 1ggy s LEU 535 CO 0.35 -0.07 0.47 -0.44 -0.29 0.00 0.00 176.35 176.38 1ggy s SER 536 N 2.83 6.80 -0.13 3.68 0.01 -0.12 -0.73 113.70 126.04 1ggy s SER 536 Ca 0.26 0.99 0.03 0.00 1.31 0.00 0.00 55.95 58.54 1ggy s SER 536 Cb -0.01 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1ggy s SER 536 CO -0.22 0.20 -0.21 -0.63 0.41 0.00 0.00 173.24 172.79 1ggy s ILE 537 N -1.30 1.96 0.21 1.44 1.01 0.18 -1.76 121.20 122.93 1ggy s ILE 537 Ca 0.32 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1ggy s ILE 537 Cb -0.16 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1ggy s ILE 537 CO 0.17 0.53 -0.04 0.28 0.00 0.00 0.00 174.94 175.88 1ggy s THR 538 N 0.79 3.42 -0.07 2.92 -1.32 -0.79 -0.73 115.64 119.86 1ggy s THR 538 Ca -0.08 -1.68 -0.03 0.00 -1.21 0.00 0.00 61.69 58.69 1ggy s THR 538 Cb -0.16 -2.74 0.04 0.00 -1.51 0.00 0.00 72.50 68.13 1ggy s THR 538 CO -0.01 -0.20 0.15 -0.36 -2.21 0.00 0.00 174.62 171.99 1ggy s PHE 539 N -1.92 -0.16 -0.07 9.09 0.40 -0.62 -2.98 117.98 121.72 1ggy s PHE 539 Ca 0.28 0.54 0.04 0.00 -0.60 0.00 0.00 56.93 57.18 1ggy s PHE 539 Cb -0.08 -0.19 -0.02 0.00 0.51 0.00 0.00 43.02 43.24 1ggy s PHE 539 CO 0.18 -0.22 -0.18 0.50 0.70 0.00 0.00 175.22 176.19 1ggy s ARG 540 N 1.80 2.67 -0.13 0.44 3.52 0.22 -1.81 118.95 125.66 1ggy s ARG 540 Ca -0.02 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1ggy s ARG 540 Cb -0.12 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.93 1ggy s ARG 540 CO -0.06 0.46 -0.17 1.21 -0.81 0.00 0.00 175.30 175.93 1ggy s ASN 541 N -0.32 3.65 0.00 -2.12 3.84 -0.72 0.13 114.94 119.40 1ggy s ASN 541 Ca 0.02 -0.43 0.07 0.00 0.21 0.00 0.00 52.86 52.73 1ggy s ASN 541 Cb -0.13 -1.54 0.07 0.00 -0.55 0.00 0.00 41.25 39.11 1ggy s ASN 541 CO 0.02 0.15 0.77 0.59 -2.79 0.00 0.00 177.10 175.84 1ggy n ASN 542 N 3.63 1.70 -4.89 -4.21 3.02 -0.14 -3.55 115.26 110.82 1ggy n ASN 542 Ca -0.19 -1.37 -0.29 0.00 -0.03 0.00 0.00 54.58 52.70 1ggy n ASN 542 Cb 0.53 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1ggy n ASN 542 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ggy s SER 543 N -0.64 6.31 -0.13 6.41 1.04 -1.25 -4.83 113.70 120.62 1ggy s SER 543 Ca 0.09 1.11 0.02 0.00 0.48 0.00 0.00 55.95 57.65 1ggy s SER 543 Cb 0.06 -2.33 0.24 0.00 0.10 0.00 0.00 66.02 64.09 1ggy s SER 543 CO 0.09 -0.62 1.18 1.41 0.98 0.00 0.00 173.24 176.28 1ggy n HIS 544 N -2.19 0.91 -4.15 5.02 8.25 -1.26 -2.72 115.22 119.09 1ggy n HIS 544 Ca 0.02 -0.72 -0.15 0.00 -0.26 0.00 0.00 57.72 56.61 1ggy n HIS 544 Cb 0.55 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1ggy n HIS 544 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ggy s ASN 545 N 0.08 1.01 0.40 0.41 4.22 -1.26 -4.88 114.94 114.93 1ggy s ASN 545 Ca 0.19 -1.52 0.08 0.00 -2.14 0.00 0.00 52.86 49.46 1ggy s ASN 545 Cb 0.15 0.61 -0.00 0.00 1.28 0.00 0.00 41.25 43.28 1ggy s ASN 545 CO 0.04 -1.18 0.49 0.00 -2.04 0.00 0.00 177.10 174.41 1ggy s ARG 546 N -3.31 2.81 0.17 3.55 1.70 -1.26 -2.84 118.95 119.77 1ggy s ARG 546 Ca 0.34 -1.27 -0.10 0.00 -0.47 0.00 0.00 55.73 54.23 1ggy s ARG 546 Cb 0.01 -2.67 -0.00 0.00 -0.57 0.00 0.00 34.95 31.72 1ggy s ARG 546 CO 0.21 -0.17 0.31 0.71 -1.08 0.00 0.00 175.30 175.28 1ggy s TYR 547 N -2.34 0.35 -0.29 5.89 2.02 -0.45 -4.96 117.35 117.57 1ggy s TYR 547 Ca 0.51 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1ggy s TYR 547 Cb -0.08 -0.01 0.08 0.00 -0.40 0.00 0.00 41.96 41.55 1ggy s TYR 547 CO 0.31 -0.75 -0.03 0.99 -1.57 0.00 0.00 175.55 174.50 1ggy s THR 548 N -3.96 2.00 0.24 -0.71 2.01 -1.26 -0.48 115.64 113.48 1ggy s THR 548 Ca 0.17 -1.79 -0.01 0.00 0.31 0.00 0.00 61.69 60.36 1ggy s THR 548 Cb 0.03 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1ggy s THR 548 CO -0.00 -0.28 0.44 -0.63 -0.69 0.00 0.00 174.62 173.46 1ggy s ILE 549 N 1.12 5.16 -0.33 1.82 1.09 0.12 0.76 121.20 130.95 1ggy s ILE 549 Ca -0.00 -0.35 -0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1ggy s ILE 549 Cb -0.19 -3.76 0.13 0.00 -1.06 0.00 0.00 42.46 37.57 1ggy s ILE 549 CO -0.08 -0.28 0.19 -0.89 -0.10 0.00 0.00 174.94 173.78 1ggy s THR 550 N -1.99 0.06 0.55 2.92 2.01 -1.10 -0.79 115.64 117.30 1ggy s THR 550 Ca 0.39 -1.38 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 1ggy s THR 550 Cb -0.11 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.36 1ggy s THR 550 CO 0.30 -0.90 0.81 0.00 -0.69 0.00 0.00 174.62 174.15 1ggy s ALA 551 N 1.42 3.59 -0.01 7.40 0.00 -1.03 -3.15 121.76 129.99 1ggy s ALA 551 Ca 0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1ggy s ALA 551 Cb -0.21 -2.31 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1ggy s ALA 551 CO -0.12 -0.73 0.09 0.71 0.00 0.00 0.00 175.76 175.72 1ggy s TYR 552 N -2.83 0.05 -0.07 0.00 2.02 0.34 0.78 117.35 117.64 1ggy s TYR 552 Ca 0.54 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 1ggy s TYR 552 Cb -0.10 -0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.42 1ggy s TYR 552 CO 0.41 -0.21 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.93 1ggy s LEU 553 N -1.02 1.36 -0.19 -1.29 0.20 0.16 -2.07 118.68 115.84 1ggy s LEU 553 Ca -0.11 -0.24 -0.00 0.00 0.69 0.00 0.00 54.13 54.47 1ggy s LEU 553 Cb -0.06 -0.71 0.05 0.00 -0.43 0.00 0.00 46.19 45.04 1ggy s LEU 553 CO 0.01 -0.05 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.41 1ggy s SER 554 N 1.11 3.19 -0.16 3.68 0.15 -0.58 -2.01 113.70 119.08 1ggy s SER 554 Ca -0.07 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.69 1ggy s SER 554 Cb -0.14 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 1ggy s SER 554 CO -0.01 -0.19 0.01 0.00 1.20 0.00 0.00 173.24 174.25 1ggy s ALA 555 N 1.54 3.21 0.20 5.45 0.00 -0.41 -0.49 121.76 131.26 1ggy s ALA 555 Ca -0.01 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1ggy s ALA 555 Cb -0.16 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 1ggy s ALA 555 CO -0.08 0.26 -0.04 -0.80 0.00 0.00 0.00 175.76 175.11 1ggy s ASN 556 N 0.17 1.77 -0.18 0.00 0.01 0.12 -1.22 114.94 115.60 1ggy s ASN 556 Ca 0.01 -1.14 -0.07 0.00 -0.71 0.00 0.00 52.86 50.95 1ggy s ASN 556 Cb -0.13 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 1ggy s ASN 556 CO 0.02 -0.45 0.04 -0.63 -1.51 0.00 0.00 177.10 174.57 1ggy s ILE 557 N -3.40 4.56 0.15 0.60 1.01 0.28 -0.46 121.20 123.94 1ggy s ILE 557 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1ggy s ILE 557 Cb 0.05 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1ggy s ILE 557 CO 0.05 0.45 0.03 0.42 0.00 0.00 0.00 174.94 175.90 1ggy s THR 558 N 0.51 0.38 0.96 2.92 -4.23 -1.20 0.13 115.64 115.12 1ggy s THR 558 Ca 0.02 -1.94 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 1ggy s THR 558 Cb -0.13 -2.07 0.21 0.00 1.34 0.00 0.00 72.50 71.85 1ggy s THR 558 CO 0.01 -0.48 1.30 -0.36 -0.54 0.00 0.00 174.62 174.56 1ggy s PHE 559 N -3.86 1.30 -1.18 3.99 0.40 -0.63 -4.04 117.98 113.96 1ggy s PHE 559 Ca 0.24 0.13 0.24 0.00 -0.60 0.00 0.00 56.93 56.93 1ggy s PHE 559 Cb 0.07 -4.06 1.08 0.00 0.51 0.00 0.00 43.02 40.62 1ggy s PHE 559 CO 0.03 -2.68 1.76 2.48 0.70 0.00 0.00 175.22 177.51 1ggy n TYR 560 N -3.71 0.00 0.21 0.36 4.11 -1.26 -2.30 117.16 114.56 1ggy n TYR 560 Ca 0.17 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.17 1ggy n TYR 560 Cb 0.59 -0.41 0.19 0.00 -0.00 0.00 0.00 39.34 39.72 1ggy n TYR 560 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ggy h THR 561 N 0.00 0.22 0.00 -3.48 1.35 -1.89 0.58 112.91 109.69 1ggy h THR 561 Ca 0.00 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 1ggy h THR 561 Cb 0.33 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1ggy h THR 561 CO 0.00 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1ggy n GLY 562 N 0.99 2.46 3.67 5.82 0.00 -0.97 -2.10 105.19 115.06 1ggy n GLY 562 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 1ggy n GLY 562 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ggy n VAL 563 N -0.66 0.58 -2.62 1.61 0.31 -1.26 -4.68 118.33 111.61 1ggy n VAL 563 Ca 0.00 -0.13 -0.41 0.00 -0.01 0.00 0.00 64.34 63.79 1ggy n VAL 563 Cb 0.00 -1.94 -0.04 0.00 -0.91 0.00 0.00 33.84 30.95 1ggy n VAL 563 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ggy s PRO 564 N 4.34 4.62 -0.13 5.55 0.02 -1.26 -1.61 135.00 146.53 1ggy s PRO 564 Ca 0.94 1.58 -0.23 0.00 0.02 0.00 0.00 61.00 63.30 1ggy s PRO 564 Cb -0.66 -3.35 -0.26 0.00 0.02 0.00 0.00 34.50 30.25 1ggy s PRO 564 CO 0.50 0.09 0.63 -0.22 -0.33 0.00 0.00 177.00 177.67 1ggy h LYS 565 N 5.66 0.11 -1.60 5.54 1.63 0.75 -3.48 116.57 125.17 1ggy h LYS 565 Ca -0.43 -0.18 0.12 0.00 -0.85 0.00 0.00 60.65 59.31 1ggy h LYS 565 Cb 1.21 0.07 -0.22 0.00 -0.60 0.00 0.00 32.23 32.69 1ggy h LYS 565 CO 0.73 1.09 0.61 0.00 -3.45 0.00 0.00 179.45 178.42 1ggy s ALA 566 N -2.34 -1.95 -0.19 5.00 0.00 -1.19 -5.00 121.76 116.08 1ggy s ALA 566 Ca -0.20 1.54 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 1ggy s ALA 566 Cb 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1ggy s ALA 566 CO 0.71 -0.38 0.84 -2.00 0.00 0.00 0.00 175.76 174.93 1ggy s GLU 567 N -1.49 4.26 0.00 0.00 2.12 -1.26 -0.56 118.70 121.77 1ggy s GLU 567 Ca 0.01 1.01 0.17 0.00 0.36 0.00 0.00 54.97 56.53 1ggy s GLU 567 Cb -0.01 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.85 1ggy s GLU 567 CO -0.01 -0.40 0.97 1.97 -0.54 0.00 0.00 175.26 177.24 1ggy n PHE 568 N 5.53 0.00 -3.54 5.30 -1.74 -0.36 -4.96 117.46 117.69 1ggy n PHE 568 Ca 0.05 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.93 1ggy n PHE 568 Cb 0.48 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.43 1ggy n PHE 568 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1ggy s LYS 569 N -1.74 0.42 0.14 3.97 2.20 -1.19 -4.91 119.74 118.64 1ggy s LYS 569 Ca 0.17 0.94 0.11 0.00 -0.36 0.00 0.00 55.97 56.82 1ggy s LYS 569 Cb 0.14 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.86 1ggy s LYS 569 CO 0.33 -0.12 -0.24 0.21 -0.36 0.00 0.00 175.35 175.17 1ggy s LYS 570 N 2.24 1.54 -0.30 4.03 2.47 -1.26 -1.29 119.74 127.16 1ggy s LYS 570 Ca -0.05 -1.35 -0.11 0.00 -1.56 0.00 0.00 55.97 52.89 1ggy s LYS 570 Cb -0.07 -1.94 0.16 0.00 -1.46 0.00 0.00 37.83 34.52 1ggy s LYS 570 CO -0.18 0.44 0.86 -2.00 0.16 0.00 0.00 175.35 174.64 1ggy s GLU 571 N -2.26 0.38 -0.23 4.03 2.56 -0.85 -4.96 118.70 117.37 1ggy s GLU 571 Ca 0.17 0.88 -0.10 0.00 0.00 0.00 0.00 54.97 55.92 1ggy s GLU 571 Cb -0.10 0.52 -0.05 0.00 2.00 0.00 0.00 34.13 36.51 1ggy s GLU 571 CO 0.08 -0.22 0.14 0.95 -0.56 0.00 0.00 175.26 175.66 1ggy s THR 572 N 2.69 5.24 0.66 -1.70 -4.23 -1.26 -0.66 115.64 116.38 1ggy s THR 572 Ca 0.00 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1ggy s THR 572 Cb -0.09 -3.43 0.11 0.00 1.34 0.00 0.00 72.50 70.42 1ggy s THR 572 CO -0.17 0.36 0.92 -0.36 -0.54 0.00 0.00 174.62 174.83 1ggy s PHE 573 N 0.97 1.70 -0.21 3.99 0.40 0.23 -4.93 117.98 120.13 1ggy s PHE 573 Ca 0.07 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1ggy s PHE 573 Cb -0.13 -2.78 0.10 0.00 0.51 0.00 0.00 43.02 40.72 1ggy s PHE 573 CO 0.04 -1.48 0.43 0.34 0.70 0.00 0.00 175.22 175.25 1ggy s ASP 574 N -4.68 -0.24 0.13 1.36 2.15 -1.26 -2.47 116.67 111.65 1ggy s ASP 574 Ca 0.64 0.89 0.07 0.00 0.43 0.00 0.00 52.55 54.58 1ggy s ASP 574 Cb -0.06 1.38 -0.04 0.00 -0.30 0.00 0.00 42.92 43.90 1ggy s ASP 574 CO 0.42 -0.24 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.32 1ggy s VAL 575 N 2.62 1.58 -0.14 1.11 1.01 0.03 -4.98 120.40 121.64 1ggy s VAL 575 Ca 0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 1ggy s VAL 575 Cb -0.13 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1ggy s VAL 575 CO -0.14 -0.27 0.01 -0.89 0.00 0.00 0.00 175.10 173.82 1ggy s THR 576 N -1.77 0.50 -0.37 3.92 2.01 -1.26 0.16 115.64 118.83 1ggy s THR 576 Ca 0.10 -0.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 1ggy s THR 576 Cb -0.07 -0.83 0.04 0.00 0.01 0.00 0.00 72.50 71.65 1ggy s THR 576 CO 0.05 0.03 0.19 -0.76 -0.69 0.00 0.00 174.62 173.43 1ggy s LEU 577 N 1.90 4.68 0.83 4.42 1.43 0.36 -4.95 118.68 127.35 1ggy s LEU 577 Ca 0.02 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.91 1ggy s LEU 577 Cb -0.15 -1.98 0.09 0.00 0.03 0.00 0.00 46.19 44.19 1ggy s LEU 577 CO -0.07 -0.39 1.11 -1.61 0.23 0.00 0.00 176.35 175.61 1ggy s GLU 578 N 1.50 1.74 0.60 1.70 0.41 -1.26 -1.33 118.70 122.05 1ggy s GLU 578 Ca 0.01 1.25 -0.20 0.00 -0.41 0.00 0.00 54.97 55.62 1ggy s GLU 578 Cb -0.20 -1.83 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 1ggy s GLU 578 CO 0.05 -2.03 1.32 -1.25 -0.49 0.00 0.00 175.26 172.86 1ggy s PRO 579 N -4.82 2.84 -1.30 0.39 0.04 -1.13 -2.63 135.00 128.38 1ggy s PRO 579 Ca 0.63 2.14 -0.08 0.00 0.04 0.00 0.00 61.00 63.73 1ggy s PRO 579 Cb -0.19 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.37 1ggy s PRO 579 CO 0.57 -1.40 0.47 1.28 0.04 0.00 0.00 177.00 177.96 1ggy n LEU 580 N -1.49 -1.70 -4.97 -3.56 4.32 -1.10 -4.94 117.00 103.56 1ggy n LEU 580 Ca 0.13 -0.32 -0.21 0.00 -0.02 0.00 0.00 56.01 55.59 1ggy n LEU 580 Cb 0.47 -2.26 -0.01 0.00 -1.62 0.00 0.00 43.42 40.00 1ggy n LEU 580 CO 0.50 0.15 0.08 -0.55 -1.22 0.00 0.00 177.39 176.34 1ggy s SER 581 N -2.66 6.14 -0.31 -1.43 0.15 -1.08 -4.91 113.70 109.60 1ggy s SER 581 Ca 0.35 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1ggy s SER 581 Cb -0.18 -1.65 0.14 0.00 -1.71 0.00 0.00 66.02 62.62 1ggy s SER 581 CO 0.43 -0.32 0.30 0.12 1.20 0.00 0.00 173.24 174.98 1ggy s PHE 582 N -2.18 -0.35 -0.12 3.44 5.36 -1.26 -1.76 117.98 121.11 1ggy s PHE 582 Ca 0.41 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1ggy s PHE 582 Cb -0.09 -0.49 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 1ggy s PHE 582 CO 0.32 -0.92 -0.06 0.15 -1.46 0.00 0.00 175.22 173.25 1ggy s LYS 583 N 2.12 3.28 -0.07 10.12 1.02 -0.75 -4.96 119.74 130.49 1ggy s LYS 583 Ca 0.11 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 55.59 1ggy s LYS 583 Cb -0.15 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1ggy s LYS 583 CO -0.26 0.40 -0.21 0.21 -0.92 0.00 0.00 175.35 174.57 1ggy s LYS 584 N -0.10 2.74 -0.04 1.68 2.20 -1.26 -1.59 119.74 123.37 1ggy s LYS 584 Ca 0.01 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.81 1ggy s LYS 584 Cb -0.13 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 1ggy s LYS 584 CO 0.03 0.37 -0.11 -1.21 -0.36 0.00 0.00 175.35 174.06 1ggy s GLU 585 N -0.10 1.30 -0.14 4.03 2.02 0.09 -4.94 118.70 120.96 1ggy s GLU 585 Ca -0.04 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 1ggy s GLU 585 Cb -0.14 -1.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.90 1ggy s GLU 585 CO 0.04 0.09 0.03 0.00 0.02 0.00 0.00 175.26 175.45 1ggy s ALA 586 N 0.37 3.34 0.43 5.21 0.00 -1.26 0.48 121.76 130.32 1ggy s ALA 586 Ca -0.07 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1ggy s ALA 586 Cb -0.12 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1ggy s ALA 586 CO 0.02 0.36 0.46 0.08 0.00 0.00 0.00 175.76 176.67 1ggy s VAL 587 N -0.16 2.74 -0.12 0.00 1.01 0.09 -4.97 120.40 118.99 1ggy s VAL 587 Ca 0.06 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 1ggy s VAL 587 Cb -0.12 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.36 1ggy s VAL 587 CO 0.02 0.00 0.14 -0.22 0.00 0.00 0.00 175.10 175.04 1ggy s LEU 588 N -4.23 0.03 -0.17 3.92 0.20 -1.26 -3.07 118.68 114.10 1ggy s LEU 588 Ca 0.51 0.00 -0.16 0.00 0.69 0.00 0.00 54.13 55.17 1ggy s LEU 588 Cb -0.06 0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.80 1ggy s LEU 588 CO 0.30 -0.28 0.39 -0.63 -0.29 0.00 0.00 176.35 175.83 1ggy s ILE 589 N 2.25 5.23 -0.15 6.68 -1.09 0.11 -4.97 121.20 129.27 1ggy s ILE 589 Ca 0.04 0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 59.13 1ggy s ILE 589 Cb -0.14 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1ggy s ILE 589 CO -0.07 0.31 0.04 -1.58 -1.23 0.00 0.00 174.94 172.40 1ggy s GLN 590 N 0.90 3.62 0.25 2.79 0.74 -1.26 -0.50 119.66 126.20 1ggy s GLN 590 Ca 0.20 -0.37 0.06 0.00 0.05 0.00 0.00 55.36 55.29 1ggy s GLN 590 Cb -0.14 -3.05 0.71 0.00 1.10 0.00 0.00 33.01 31.63 1ggy s GLN 590 CO 0.07 0.43 1.21 0.00 -0.55 0.00 0.00 175.29 176.45 1ggy n ALA 591 N 3.03 0.50 0.25 1.58 0.00 -1.26 0.13 120.51 124.74 1ggy n ALA 591 Ca -0.18 0.81 0.10 0.00 0.00 0.00 0.00 53.44 54.18 1ggy n ALA 591 Cb 0.53 -0.65 0.66 0.00 0.00 0.00 0.00 19.45 19.99 1ggy n ALA 591 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ggy h GLY 592 N 0.00 0.00 2.00 0.00 0.00 -1.94 -0.87 103.07 102.26 1ggy h GLY 592 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 1ggy h GLY 592 CO -0.69 0.00 -0.05 0.83 0.00 0.00 0.00 176.54 176.63 1ggy h GLU 593 N 0.00 0.00 0.00 4.80 5.08 0.71 -3.36 114.58 121.81 1ggy h GLU 593 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ggy h GLU 593 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ggy h GLU 593 CO 0.02 0.05 -1.07 2.48 -1.00 0.00 0.00 179.01 179.49 1ggy n TYR 594 N -3.26 0.00 -0.42 4.33 0.18 -0.85 -4.79 117.16 112.36 1ggy n TYR 594 Ca -0.01 0.00 0.38 0.00 1.88 0.00 0.00 57.90 60.15 1ggy n TYR 594 Cb 0.24 -0.04 0.58 0.00 -0.38 0.00 0.00 39.34 39.74 1ggy n TYR 594 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1ggy n MET 595 N -2.52 0.01 -0.01 -3.48 2.81 -0.39 0.39 117.12 113.92 1ggy n MET 595 Ca -0.02 1.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.70 1ggy n MET 595 Cb 0.52 -2.40 -0.06 0.00 -0.71 0.00 0.00 33.22 30.57 1ggy n MET 595 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ggy h GLY 596 N 0.00 0.82 -4.18 3.03 0.00 -1.84 -3.38 103.07 97.51 1ggy h GLY 596 Ca 0.66 -1.19 -0.61 0.00 0.00 0.00 0.00 47.33 46.19 1ggy h GLY 596 CO -0.01 1.06 -0.29 -1.06 0.00 0.00 0.00 176.54 176.24 1ggy n GLN 597 N -3.91 3.31 -3.11 4.80 6.02 0.16 -5.05 117.38 119.59 1ggy n GLN 597 Ca -0.08 -4.06 -0.38 0.00 -0.01 0.00 0.00 57.00 52.48 1ggy n GLN 597 Cb 0.76 -2.27 -0.06 0.00 1.02 0.00 0.00 30.24 29.69 1ggy n GLN 597 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ggy s LEU 598 N -3.68 4.46 0.32 1.08 1.43 -1.23 -4.93 118.68 116.13 1ggy s LEU 598 Ca 0.52 1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1ggy s LEU 598 Cb 0.43 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1ggy s LEU 598 CO -0.10 0.14 0.54 -0.76 0.23 0.00 0.00 176.35 176.41 1ggy s LEU 599 N -1.53 4.04 0.37 1.79 1.43 -1.26 -4.96 118.68 118.55 1ggy s LEU 599 Ca 0.37 0.53 0.31 0.00 -1.03 0.00 0.00 54.13 54.31 1ggy s LEU 599 Cb -0.19 -3.37 1.21 0.00 0.03 0.00 0.00 46.19 43.86 1ggy s LEU 599 CO 0.22 -0.25 1.17 -1.84 0.23 0.00 0.00 176.35 175.88 1ggy n GLU 600 N -1.46 -0.01 0.00 1.70 0.28 -1.26 0.15 120.64 120.04 1ggy n GLU 600 Ca -0.04 0.88 0.10 0.00 -0.16 0.00 0.00 57.16 57.94 1ggy n GLU 600 Cb 0.55 -1.86 0.01 0.00 1.43 0.00 0.00 31.44 31.57 1ggy n GLU 600 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ggy n GLN 601 N -3.83 1.49 -3.19 3.44 6.02 -1.26 -4.52 117.38 115.53 1ggy n GLN 601 Ca 0.32 -1.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.13 1ggy n GLN 601 Cb 1.34 -1.39 0.06 0.00 1.02 0.00 0.00 30.24 31.27 1ggy n GLN 601 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ggy n ALA 602 N 0.10 -1.02 -2.08 -1.58 0.00 0.12 -4.47 120.51 111.58 1ggy n ALA 602 Ca 0.09 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.38 1ggy n ALA 602 Cb 0.42 -3.46 -0.06 0.00 0.00 0.00 0.00 19.45 16.35 1ggy n ALA 602 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ggy s SER 603 N -3.39 6.97 -0.01 0.00 0.01 -1.26 -0.90 113.70 115.12 1ggy s SER 603 Ca 0.31 1.41 0.02 0.00 1.31 0.00 0.00 55.95 58.99 1ggy s SER 603 Cb -0.14 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1ggy s SER 603 CO 0.50 -0.07 -0.06 -0.76 0.41 0.00 0.00 173.24 173.26 1ggy s LEU 604 N -2.39 1.84 -0.17 2.44 1.02 -0.18 -3.22 118.68 118.03 1ggy s LEU 604 Ca 0.48 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.53 1ggy s LEU 604 Cb -0.14 -0.34 0.01 0.00 0.02 0.00 0.00 46.19 45.74 1ggy s LEU 604 CO 0.20 0.04 -0.19 -2.28 0.02 0.00 0.00 176.35 174.14 1ggy s HIS 605 N 0.12 2.75 -0.15 0.29 2.46 0.39 -2.32 115.29 118.83 1ggy s HIS 605 Ca -0.01 -1.43 -0.02 0.00 0.47 0.00 0.00 55.06 54.07 1ggy s HIS 605 Cb -0.05 -1.89 -0.02 0.00 -0.13 0.00 0.00 32.58 30.49 1ggy s HIS 605 CO -0.00 -0.69 -0.08 -0.06 -2.47 0.00 0.00 174.74 171.44 1ggy s PHE 606 N 1.08 2.92 0.06 3.88 0.08 -0.68 0.10 117.98 125.42 1ggy s PHE 606 Ca -0.00 -0.55 0.07 0.00 0.12 0.00 0.00 56.93 56.57 1ggy s PHE 606 Cb -0.14 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1ggy s PHE 606 CO -0.07 -0.19 -0.17 -0.06 -0.10 0.00 0.00 175.22 174.63 1ggy s PHE 607 N 0.52 2.57 -0.29 0.36 0.08 0.36 -0.91 117.98 120.67 1ggy s PHE 607 Ca -0.06 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 1ggy s PHE 607 Cb -0.15 -1.43 0.13 0.00 -0.57 0.00 0.00 43.02 40.99 1ggy s PHE 607 CO 0.03 0.30 0.25 0.08 -0.10 0.00 0.00 175.22 175.79 1ggy s VAL 608 N -1.00 -0.31 0.21 -0.44 1.01 -0.06 -1.53 120.40 118.28 1ggy s VAL 608 Ca 0.16 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1ggy s VAL 608 Cb -0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1ggy s VAL 608 CO 0.07 -0.54 0.33 -0.89 0.00 0.00 0.00 175.10 174.07 1ggy s THR 609 N 2.28 5.25 -0.07 3.92 2.01 -0.88 -2.14 115.64 126.02 1ggy s THR 609 Ca 0.09 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1ggy s THR 609 Cb -0.14 -3.81 0.08 0.00 0.01 0.00 0.00 72.50 68.64 1ggy s THR 609 CO -0.34 -0.25 0.76 0.00 -0.69 0.00 0.00 174.62 174.10 1ggy s ALA 610 N -1.91 -1.80 -0.07 7.40 0.00 -0.79 -0.50 121.76 124.10 1ggy s ALA 610 Ca 0.34 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.64 1ggy s ALA 610 Cb -0.10 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1ggy s ALA 610 CO 0.29 -0.38 -0.04 0.50 0.00 0.00 0.00 175.76 176.13 1ggy s ARG 611 N -1.32 0.90 -0.57 0.00 3.52 -1.19 -0.68 118.95 119.60 1ggy s ARG 611 Ca -0.08 -0.06 -0.28 0.00 -0.13 0.00 0.00 55.73 55.18 1ggy s ARG 611 Cb -0.00 -1.04 0.01 0.00 -1.56 0.00 0.00 34.95 32.36 1ggy s ARG 611 CO 0.07 -0.19 1.48 0.42 -0.81 0.00 0.00 175.30 176.26 1ggy s ILE 612 N 1.44 3.71 0.49 4.11 -1.09 -1.01 -2.71 121.20 126.14 1ggy s ILE 612 Ca -0.02 0.58 0.32 0.00 -2.23 0.00 0.00 60.65 59.29 1ggy s ILE 612 Cb -0.13 -4.39 0.51 0.00 -1.58 0.00 0.00 42.46 36.88 1ggy s ILE 612 CO -0.03 -1.17 1.75 0.78 -1.23 0.00 0.00 174.94 175.04 1ggy h ASN 613 N 11.54 0.16 0.56 3.58 2.35 0.01 0.92 115.58 134.71 1ggy h ASN 613 Ca -0.27 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1ggy h ASN 613 Cb 1.10 0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.50 1ggy h ASN 613 CO 1.19 -0.00 -0.27 -0.33 -1.65 0.00 0.00 177.43 176.37 1ggy h GLU 614 N 0.13 -0.72 0.00 0.81 3.07 -1.89 -3.33 114.58 112.64 1ggy h GLU 614 Ca 0.64 0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.48 1ggy h GLU 614 Cb 2.22 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 30.28 1ggy h GLU 614 CO -0.15 -0.42 -0.88 1.79 -1.40 0.00 0.00 179.01 177.95 1ggy h THR 615 N -1.08 0.32 -0.36 1.13 1.35 -1.84 -3.48 112.91 108.96 1ggy h THR 615 Ca -0.08 -1.55 -0.14 0.00 -0.55 0.00 0.00 66.41 64.09 1ggy h THR 615 Cb 0.63 1.92 -0.06 0.00 -1.73 0.00 0.00 68.15 68.92 1ggy h THR 615 CO 0.13 0.18 -0.13 0.54 -0.25 0.00 0.00 175.52 175.99 1ggy n ARG 616 N -2.92 -0.49 -1.92 4.72 1.74 0.32 -5.01 116.66 113.10 1ggy n ARG 616 Ca -0.02 0.73 -0.33 0.00 -0.77 0.00 0.00 57.85 57.46 1ggy n ARG 616 Cb 0.67 -4.53 0.03 0.00 -1.02 0.00 0.00 32.46 27.61 1ggy n ARG 616 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ggy s ASP 617 N -2.92 5.49 -0.17 0.55 1.01 -1.24 -4.82 116.67 114.58 1ggy s ASP 617 Ca 0.00 1.90 -0.00 0.00 0.71 0.00 0.00 52.55 55.16 1ggy s ASP 617 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1ggy s ASP 617 CO 0.00 -1.37 -0.14 -0.69 0.21 0.00 0.00 175.17 173.18 1ggy s VAL 618 N -2.39 2.68 -0.11 -1.27 1.01 -1.26 -2.41 120.40 116.65 1ggy s VAL 618 Ca 0.65 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1ggy s VAL 618 Cb -0.18 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1ggy s VAL 618 CO 0.39 0.50 0.08 -0.76 0.00 0.00 0.00 175.10 175.31 1ggy s LEU 619 N 1.00 4.04 -0.14 3.92 1.43 0.14 -4.80 118.68 124.27 1ggy s LEU 619 Ca -0.02 0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.31 1ggy s LEU 619 Cb -0.15 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.16 1ggy s LEU 619 CO -0.03 0.39 0.34 0.00 0.23 0.00 0.00 176.35 177.28 1ggy s ALA 620 N -0.94 -0.84 0.04 4.21 0.00 -1.26 -1.88 121.76 121.08 1ggy s ALA 620 Ca 0.14 1.17 -0.06 0.00 0.00 0.00 0.00 51.96 53.21 1ggy s ALA 620 Cb -0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1ggy s ALA 620 CO 0.03 -0.21 0.10 0.15 0.00 0.00 0.00 175.76 175.84 1ggy s LYS 621 N 0.88 0.59 0.02 0.00 -0.14 -0.91 -5.04 119.74 115.13 1ggy s LYS 621 Ca -0.06 -0.73 -0.16 0.00 -1.36 0.00 0.00 55.97 53.66 1ggy s LYS 621 Cb -0.06 0.23 0.03 0.00 -1.68 0.00 0.00 37.83 36.34 1ggy s LYS 621 CO -0.06 -0.15 0.34 1.14 -0.76 0.00 0.00 175.35 175.86 1ggy s GLN 622 N -2.54 0.79 0.32 1.68 -2.07 -1.26 -0.88 119.66 115.69 1ggy s GLN 622 Ca -0.05 -0.32 -0.07 0.00 -1.82 0.00 0.00 55.36 53.09 1ggy s GLN 622 Cb -0.01 0.35 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 1ggy s GLN 622 CO -0.04 -0.24 0.52 0.15 -1.32 0.00 0.00 175.29 174.36 1ggy s LYS 623 N -2.00 1.86 0.10 9.60 1.02 -0.09 -5.01 119.74 125.23 1ggy s LYS 623 Ca -0.09 -1.57 -0.04 0.00 0.02 0.00 0.00 55.97 54.29 1ggy s LYS 623 Cb -0.02 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 37.74 1ggy s LYS 623 CO 0.00 -0.79 0.09 -1.12 -0.92 0.00 0.00 175.35 172.62 1ggy s SER 624 N -3.15 0.29 0.06 2.83 0.01 -1.26 -1.69 113.70 110.78 1ggy s SER 624 Ca 0.26 -0.96 -0.25 0.00 1.31 0.00 0.00 55.95 56.31 1ggy s SER 624 Cb -0.01 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.58 1ggy s SER 624 CO 0.16 -0.71 0.59 0.42 0.41 0.00 0.00 173.24 174.11 1ggy s THR 625 N -3.95 0.01 -0.00 1.44 -4.23 -0.98 -4.91 115.64 103.02 1ggy s THR 625 Ca 0.13 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1ggy s THR 625 Cb 0.06 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 1ggy s THR 625 CO -0.05 -0.05 -0.16 0.68 -0.54 0.00 0.00 174.62 174.50 1ggy s VAL 626 N -2.56 1.25 -0.07 2.29 -7.23 -1.26 -1.01 120.40 111.81 1ggy s VAL 626 Ca -0.05 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 1ggy s VAL 626 Cb -0.01 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1ggy s VAL 626 CO -0.02 0.30 1.22 -0.76 -0.31 0.00 0.00 175.10 175.52 1ggy s LEU 627 N -0.52 4.27 -0.53 1.32 1.43 -0.08 -4.82 118.68 119.76 1ggy s LEU 627 Ca 0.06 1.81 -0.26 0.00 -1.03 0.00 0.00 54.13 54.71 1ggy s LEU 627 Cb -0.06 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 1ggy s LEU 627 CO -0.00 -0.61 2.38 -0.89 0.23 0.00 0.00 176.35 177.46 1ggy s THR 628 N 2.39 3.03 0.03 5.49 2.01 -1.13 -4.67 115.64 122.78 1ggy s THR 628 Ca 0.56 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 1ggy s THR 628 Cb -0.24 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1ggy s THR 628 CO 0.21 -0.07 0.93 -0.63 -0.69 0.00 0.00 174.62 174.38 1ggy s ILE 629 N 12.30 4.76 0.31 1.82 1.01 -1.26 -2.86 121.20 137.28 1ggy s ILE 629 Ca 0.95 1.97 -0.28 0.00 0.00 0.00 0.00 60.65 63.30 1ggy s ILE 629 Cb -0.16 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 1ggy s ILE 629 CO 0.24 0.23 1.09 -2.16 0.00 0.00 0.00 174.94 174.35 1ggy s PRO 630 N 0.59 4.52 0.81 2.79 0.04 -1.26 -4.99 135.00 137.49 1ggy s PRO 630 Ca 0.48 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 1ggy s PRO 630 Cb -0.21 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.34 1ggy s PRO 630 CO 0.27 0.12 0.93 -0.85 0.04 0.00 0.00 177.00 177.51 1ggy n GLU 631 N 0.88 0.16 -3.71 4.56 0.28 -1.26 -4.76 120.64 116.79 1ggy n GLU 631 Ca 0.00 0.12 -0.31 0.00 -0.16 0.00 0.00 57.16 56.81 1ggy n GLU 631 Cb 0.46 -2.21 -0.05 0.00 1.43 0.00 0.00 31.44 31.07 1ggy n GLU 631 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1ggy s ILE 632 N -2.10 5.20 -0.20 3.84 1.01 -1.17 -4.84 121.20 122.93 1ggy s ILE 632 Ca 0.69 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 1ggy s ILE 632 Cb -0.30 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1ggy s ILE 632 CO 0.55 0.06 0.06 -0.63 0.00 0.00 0.00 174.94 174.97 1ggy s ILE 633 N -1.63 4.57 -0.13 2.92 -1.09 -0.14 -4.48 121.20 121.22 1ggy s ILE 633 Ca 0.40 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 1ggy s ILE 633 Cb -0.12 -3.08 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 1ggy s ILE 633 CO 0.25 0.42 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.58 1ggy s ILE 634 N 0.76 2.62 -0.08 2.92 1.01 -1.26 -0.42 121.20 126.75 1ggy s ILE 634 Ca 0.03 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1ggy s ILE 634 Cb -0.14 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1ggy s ILE 634 CO 0.02 0.53 0.20 -1.59 0.00 0.00 0.00 174.94 174.10 1ggy s LYS 635 N 0.48 0.20 0.12 2.79 -2.85 -0.07 -4.86 119.74 115.55 1ggy s LYS 635 Ca -0.12 0.34 0.09 0.00 -1.00 0.00 0.00 55.97 55.29 1ggy s LYS 635 Cb -0.16 0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 1ggy s LYS 635 CO 0.05 -0.08 -0.22 0.14 0.10 0.00 0.00 175.35 175.34 1ggy s VAL 636 N 0.53 1.89 0.02 1.79 -7.23 -1.26 0.77 120.40 116.91 1ggy s VAL 636 Ca -0.03 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1ggy s VAL 636 Cb -0.05 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1ggy s VAL 636 CO -0.03 -0.07 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.50 1ggy s ARG 637 N -2.13 0.46 0.00 4.82 0.52 -0.23 -4.99 118.95 117.40 1ggy s ARG 637 Ca 0.10 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1ggy s ARG 637 Cb -0.09 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.05 1ggy s ARG 637 CO 0.05 0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1ggy n GLY 638 N 2.16 0.72 3.58 -3.53 0.00 -1.26 -0.41 105.19 106.45 1ggy n GLY 638 Ca -0.18 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 1ggy n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ggy s THR 639 N -1.40 4.28 -1.42 2.61 -4.23 -1.17 -4.92 115.64 109.38 1ggy s THR 639 Ca 0.00 0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 61.35 1ggy s THR 639 Cb 0.00 -4.57 0.02 0.00 1.34 0.00 0.00 72.50 69.29 1ggy s THR 639 CO 0.00 -1.03 2.68 1.67 -0.54 0.00 0.00 174.62 177.40 1ggy n GLN 640 N 7.70 4.11 -4.14 3.99 -0.06 -1.26 -4.39 117.38 123.31 1ggy n GLN 640 Ca 0.08 -2.82 -0.15 0.00 -2.00 0.00 0.00 57.00 52.11 1ggy n GLN 640 Cb 0.49 -2.69 -0.13 0.00 -4.06 0.00 0.00 30.24 23.85 1ggy n GLN 640 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1ggy s VAL 641 N 0.37 0.56 0.44 1.69 1.01 -1.26 -0.80 120.40 122.41 1ggy s VAL 641 Ca 0.62 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 1ggy s VAL 641 Cb 0.19 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.92 1ggy s VAL 641 CO -0.08 -0.12 1.00 0.52 0.00 0.00 0.00 175.10 176.42 1ggy n VAL 642 N 2.17 2.55 0.00 2.92 0.31 0.60 -0.96 118.33 125.91 1ggy n VAL 642 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1ggy n VAL 642 Cb 0.56 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1ggy n VAL 642 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ggy n GLY 643 N 1.20 1.19 3.67 2.92 0.00 0.35 -4.90 105.19 109.61 1ggy n GLY 643 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1ggy n GLY 643 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ggy s SER 644 N -2.07 6.51 0.49 1.61 0.01 -0.13 -4.95 113.70 115.18 1ggy s SER 644 Ca 0.00 0.61 -0.21 0.00 1.31 0.00 0.00 55.95 57.66 1ggy s SER 644 Cb 0.00 -2.27 -0.10 0.00 0.21 0.00 0.00 66.02 63.87 1ggy s SER 644 CO 0.00 -0.13 0.75 0.47 0.41 0.00 0.00 173.24 174.74 1ggy n ASP 645 N 4.63 -0.00 -3.77 2.44 9.92 -1.26 -4.44 116.55 124.07 1ggy n ASP 645 Ca -0.06 0.88 -0.13 0.00 -0.53 0.00 0.00 54.79 54.95 1ggy n ASP 645 Cb 0.51 -1.25 -0.11 0.00 -0.64 0.00 0.00 41.12 39.63 1ggy n ASP 645 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1ggy s MET 646 N -2.05 0.41 -0.15 -1.24 1.75 0.36 -3.04 119.30 115.35 1ggy s MET 646 Ca 0.67 0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 55.33 1ggy s MET 646 Cb -0.51 0.19 -0.03 0.00 2.84 0.00 0.00 34.83 37.32 1ggy s MET 646 CO 0.55 -0.07 -0.01 0.99 -0.65 0.00 0.00 175.02 175.83 1ggy s THR 647 N -0.19 4.16 -0.20 10.11 2.01 0.45 0.73 115.64 132.72 1ggy s THR 647 Ca -0.03 -0.27 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1ggy s THR 647 Cb -0.03 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1ggy s THR 647 CO 0.01 0.51 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.74 1ggy s VAL 648 N 0.10 3.76 -0.30 3.82 1.01 0.17 -1.07 120.40 127.90 1ggy s VAL 648 Ca 0.01 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1ggy s VAL 648 Cb -0.13 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1ggy s VAL 648 CO 0.02 0.44 0.10 -0.89 0.00 0.00 0.00 175.10 174.77 1ggy s THR 649 N 1.03 4.16 -0.11 3.92 2.01 0.23 -1.17 115.64 125.72 1ggy s THR 649 Ca 0.01 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1ggy s THR 649 Cb -0.14 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1ggy s THR 649 CO 0.01 0.09 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.29 1ggy s VAL 650 N 1.54 3.76 -0.14 3.82 1.01 0.18 -0.89 120.40 129.67 1ggy s VAL 650 Ca 0.03 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1ggy s VAL 650 Cb -0.17 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1ggy s VAL 650 CO 0.03 0.56 0.34 -1.83 0.00 0.00 0.00 175.10 174.20 1ggy s GLU 651 N -0.30 0.32 -0.02 2.72 -1.05 0.44 0.52 118.70 121.33 1ggy s GLU 651 Ca 0.04 0.67 0.08 0.00 -0.15 0.00 0.00 54.97 55.61 1ggy s GLU 651 Cb -0.13 -0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.49 1ggy s GLU 651 CO 0.02 -0.15 -0.25 0.12 0.95 0.00 0.00 175.26 175.95 1ggy s PHE 652 N 1.29 2.24 -0.34 4.83 5.36 -0.83 -0.97 117.98 129.56 1ggy s PHE 652 Ca -0.09 -0.45 -0.07 0.00 -0.96 0.00 0.00 56.93 55.36 1ggy s PHE 652 Cb -0.09 -1.45 0.04 0.00 -0.34 0.00 0.00 43.02 41.18 1ggy s PHE 652 CO -0.10 -0.05 0.12 0.99 -1.46 0.00 0.00 175.22 174.72 1ggy s THR 653 N -0.55 3.95 -0.54 0.12 2.01 -1.26 -1.62 115.64 117.75 1ggy s THR 653 Ca 0.08 -1.06 -0.31 0.00 0.31 0.00 0.00 61.69 60.72 1ggy s THR 653 Cb -0.10 -3.22 -0.12 0.00 0.01 0.00 0.00 72.50 69.07 1ggy s THR 653 CO -0.01 -0.18 2.38 -3.20 -0.69 0.00 0.00 174.62 172.93 1ggy n ASN 654 N 4.85 1.80 -0.10 3.53 5.15 0.05 -4.79 115.26 125.75 1ggy n ASN 654 Ca -0.12 0.05 0.15 0.00 -0.60 0.00 0.00 54.58 54.06 1ggy n ASN 654 Cb 0.45 -1.30 0.76 0.00 -0.53 0.00 0.00 39.78 39.17 1ggy n ASN 654 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ggy n PRO 655 N 8.55 0.92 -3.36 1.20 -0.04 -1.26 -1.74 135.00 139.27 1ggy n PRO 655 Ca 0.45 -0.21 -0.30 0.00 -0.04 0.00 0.00 63.50 63.41 1ggy n PRO 655 Cb 0.29 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 1ggy n PRO 655 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ggy s LEU 656 N -2.22 4.09 -0.12 1.53 1.43 -1.26 -4.91 118.68 117.22 1ggy s LEU 656 Ca 0.38 0.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 1ggy s LEU 656 Cb 0.21 -3.57 0.36 0.00 0.03 0.00 0.00 46.19 43.22 1ggy s LEU 656 CO 0.41 -0.16 1.10 0.29 0.23 0.00 0.00 176.35 178.22 1ggy n LYS 657 N -0.71 2.62 -4.38 1.70 4.76 -1.26 -2.94 118.16 117.96 1ggy n LYS 657 Ca -0.01 -1.41 -0.19 0.00 -2.87 0.00 0.00 58.31 53.83 1ggy n LYS 657 Cb 0.53 -1.81 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 1ggy n LYS 657 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ggy s GLU 658 N -1.75 1.56 -0.28 1.97 2.02 -1.26 -4.86 118.70 116.09 1ggy s GLU 658 Ca 0.25 -1.87 -0.24 0.00 0.02 0.00 0.00 54.97 53.12 1ggy s GLU 658 Cb 0.19 -0.43 -0.00 0.00 0.10 0.00 0.00 34.13 33.99 1ggy s GLU 658 CO 0.07 -0.31 0.82 -0.08 0.02 0.00 0.00 175.26 175.78 1ggy s THR 659 N -3.56 4.80 -0.62 3.63 -1.32 -1.26 -3.61 115.64 113.70 1ggy s THR 659 Ca 0.36 1.40 -0.23 0.00 -1.21 0.00 0.00 61.69 62.00 1ggy s THR 659 Cb 0.07 -4.15 0.06 0.00 -1.51 0.00 0.00 72.50 66.98 1ggy s THR 659 CO 0.15 -0.18 0.95 -0.76 -2.21 0.00 0.00 174.62 172.57 1ggy s LEU 660 N 2.94 4.30 0.47 9.08 1.43 -0.93 -4.91 118.68 131.06 1ggy s LEU 660 Ca 0.34 -0.79 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1ggy s LEU 660 Cb -0.15 -2.54 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 1ggy s LEU 660 CO 0.10 -1.36 0.97 -0.13 0.23 0.00 0.00 176.35 176.17 1ggy s ARG 661 N 3.99 4.07 -0.81 1.70 1.81 -1.26 -1.53 118.95 126.93 1ggy s ARG 661 Ca 0.24 1.10 -0.02 0.00 -1.72 0.00 0.00 55.73 55.33 1ggy s ARG 661 Cb -0.16 -2.15 0.00 0.00 -0.45 0.00 0.00 34.95 32.19 1ggy s ARG 661 CO 0.13 -0.17 0.57 0.09 -0.68 0.00 0.00 175.30 175.24 1ggy n ASN 662 N -1.01 -4.51 -4.60 0.23 3.02 0.25 -2.06 115.26 106.57 1ggy n ASN 662 Ca 0.07 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.25 1ggy n ASN 662 Cb 0.54 -1.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.14 1ggy n ASN 662 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ggy s VAL 663 N -2.97 4.87 -0.14 2.41 1.01 -0.17 -3.59 120.40 121.82 1ggy s VAL 663 Ca 0.02 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.93 1ggy s VAL 663 Cb -0.01 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1ggy s VAL 663 CO 0.86 -0.19 0.14 0.26 0.00 0.00 0.00 175.10 176.16 1ggy s TRP 664 N 2.77 3.54 -0.08 5.22 0.52 -0.65 -0.44 118.94 129.82 1ggy s TRP 664 Ca 0.28 0.47 0.04 0.00 0.02 0.00 0.00 56.10 56.91 1ggy s TRP 664 Cb -0.15 -2.01 0.00 0.00 -1.15 0.00 0.00 33.47 30.17 1ggy s TRP 664 CO 0.12 0.60 -0.19 0.08 0.02 0.00 0.00 176.95 177.58 1ggy s VAL 665 N -0.60 1.67 -0.11 4.03 1.01 0.17 -0.88 120.40 125.69 1ggy s VAL 665 Ca 0.13 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1ggy s VAL 665 Cb -0.12 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1ggy s VAL 665 CO 0.02 0.47 -0.16 -1.00 0.00 0.00 0.00 175.10 174.43 1ggy s HIS 666 N 0.37 2.73 -0.11 5.22 3.76 0.10 -0.69 115.29 126.67 1ggy s HIS 666 Ca -0.14 -0.71 -0.00 0.00 -0.15 0.00 0.00 55.06 54.06 1ggy s HIS 666 Cb -0.16 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1ggy s HIS 666 CO 0.06 -0.23 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.45 1ggy s LEU 667 N 0.24 2.91 0.27 0.89 2.96 0.20 -1.94 118.68 124.22 1ggy s LEU 667 Ca -0.11 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1ggy s LEU 667 Cb -0.16 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1ggy s LEU 667 CO 0.06 0.23 0.33 -0.62 -1.32 0.00 0.00 176.35 175.03 1ggy s ASP 668 N -0.06 0.49 0.00 3.68 -1.08 0.14 0.10 116.67 119.95 1ggy s ASP 668 Ca -0.01 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 50.67 1ggy s ASP 668 Cb -0.14 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.85 1ggy s ASP 668 CO 0.03 -1.07 0.00 0.61 0.52 0.00 0.00 175.17 175.27 1ggy n GLY 669 N -0.42 0.20 3.70 2.66 0.00 -1.25 0.05 105.19 110.13 1ggy n GLY 669 Ca 0.02 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 1ggy n GLY 669 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ggy s PRO 670 N 0.00 4.23 0.00 1.61 0.04 -1.25 0.20 135.00 139.83 1ggy s PRO 670 Ca 0.00 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1ggy s PRO 670 Cb 0.00 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1ggy s PRO 670 CO 0.00 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1ggy n GLY 671 N 3.80 2.51 0.60 0.56 0.00 -1.26 -4.67 105.19 106.73 1ggy n GLY 671 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1ggy n GLY 671 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ggy n VAL 672 N -2.00 0.88 -3.95 1.61 0.31 -0.80 -1.48 118.33 112.90 1ggy n VAL 672 Ca 0.00 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 1ggy n VAL 672 Cb 0.00 -1.75 -0.09 0.00 -0.91 0.00 0.00 33.84 31.10 1ggy n VAL 672 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1ggy s THR 673 N -2.28 0.16 0.52 2.52 -1.32 0.13 -3.67 115.64 111.70 1ggy s THR 673 Ca -0.17 -1.30 -0.09 0.00 -1.21 0.00 0.00 61.69 58.93 1ggy s THR 673 Cb 0.06 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 1ggy s THR 673 CO 0.22 -0.72 0.88 -0.60 -2.21 0.00 0.00 174.62 172.19 1ggy s ARG 674 N -3.29 3.62 0.39 7.08 6.06 -1.26 -3.88 118.95 127.67 1ggy s ARG 674 Ca 0.01 0.47 -0.27 0.00 -2.50 0.00 0.00 55.73 53.44 1ggy s ARG 674 Cb 0.03 -2.26 -0.10 0.00 0.06 0.00 0.00 34.95 32.68 1ggy s ARG 674 CO -0.08 -0.31 1.40 -1.25 -2.50 0.00 0.00 175.30 172.56 1ggy s PRO 675 N -4.72 4.03 0.08 5.12 0.04 -1.26 -4.63 135.00 133.67 1ggy s PRO 675 Ca 0.51 2.38 -0.00 0.00 0.04 0.00 0.00 61.00 63.93 1ggy s PRO 675 Cb -0.10 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1ggy s PRO 675 CO 0.45 -0.52 -0.02 -1.64 0.04 0.00 0.00 177.00 175.31 1ggy s MET 676 N -2.15 0.75 0.05 4.56 -1.94 0.28 -4.98 119.30 115.88 1ggy s MET 676 Ca 0.55 -1.31 -0.08 0.00 -1.71 0.00 0.00 55.69 53.14 1ggy s MET 676 Cb -0.43 0.08 -0.00 0.00 2.01 0.00 0.00 34.83 36.49 1ggy s MET 676 CO 0.57 -0.12 0.16 -1.59 -0.01 0.00 0.00 175.02 174.03 1ggy s LYS 677 N -3.92 0.70 -0.09 2.03 -2.85 -1.26 0.63 119.74 114.97 1ggy s LYS 677 Ca 0.12 -0.79 -0.09 0.00 -1.00 0.00 0.00 55.97 54.22 1ggy s LYS 677 Cb 0.07 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 36.15 1ggy s LYS 677 CO -0.06 -0.20 0.25 0.21 0.10 0.00 0.00 175.35 175.65 1ggy s LYS 678 N -3.02 0.29 -0.16 1.78 2.20 0.13 -4.96 119.74 116.00 1ggy s LYS 678 Ca -0.01 0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.94 1ggy s LYS 678 Cb 0.01 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 1ggy s LYS 678 CO -0.06 -0.04 -0.11 1.41 -0.36 0.00 0.00 175.35 176.19 1ggy s MET 679 N 0.18 3.39 -0.22 4.03 -2.45 -1.26 -0.66 119.30 122.31 1ggy s MET 679 Ca -0.00 -0.66 -0.09 0.00 -1.25 0.00 0.00 55.69 53.69 1ggy s MET 679 Cb -0.02 -2.74 -0.04 0.00 1.25 0.00 0.00 34.83 33.28 1ggy s MET 679 CO -0.00 0.10 0.10 -0.06 1.05 0.00 0.00 175.02 176.21 1ggy s PHE 680 N 0.65 3.24 0.16 4.11 0.40 0.41 -4.94 117.98 122.01 1ggy s PHE 680 Ca -0.06 0.03 -0.30 0.00 -0.60 0.00 0.00 56.93 56.01 1ggy s PHE 680 Cb -0.15 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.14 1ggy s PHE 680 CO 0.02 0.02 1.49 -2.13 0.70 0.00 0.00 175.22 175.32 1ggy n ARG 681 N 4.10 -0.42 -3.61 0.44 0.63 -1.26 -1.00 116.66 115.54 1ggy n ARG 681 Ca -0.16 1.46 -0.06 0.00 -0.92 0.00 0.00 57.85 58.17 1ggy n ARG 681 Cb 0.52 -2.15 -0.02 0.00 0.45 0.00 0.00 32.46 31.26 1ggy n ARG 681 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1ggy s GLU 682 N -5.50 1.03 -0.16 -0.14 -1.05 -1.26 -0.58 118.70 111.04 1ggy s GLU 682 Ca -0.12 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1ggy s GLU 682 Cb 0.11 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.23 1ggy s GLU 682 CO 0.60 -0.46 -0.14 0.42 0.95 0.00 0.00 175.26 176.64 1ggy s ILE 683 N -3.24 1.59 0.64 1.83 1.01 -0.58 -4.96 121.20 117.49 1ggy s ILE 683 Ca 0.08 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 1ggy s ILE 683 Cb -0.01 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1ggy s ILE 683 CO -0.04 0.42 1.24 -0.13 0.00 0.00 0.00 174.94 176.42 1ggy s ARG 684 N 1.47 2.64 0.30 2.79 3.00 -1.26 -2.19 118.95 125.70 1ggy s ARG 684 Ca 0.04 1.90 -0.28 0.00 0.00 0.00 0.00 55.73 57.39 1ggy s ARG 684 Cb -0.13 -1.88 -0.13 0.00 0.00 0.00 0.00 34.95 32.81 1ggy s ARG 684 CO -0.10 -1.49 1.12 -2.30 0.00 0.00 0.00 175.30 172.52 1ggy n PRO 685 N -1.96 1.62 -0.93 3.54 -0.02 -1.24 -2.16 135.00 133.86 1ggy n PRO 685 Ca 0.14 0.57 -0.05 0.00 -2.02 0.00 0.00 63.50 62.14 1ggy n PRO 685 Cb 0.49 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 1ggy n PRO 685 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ggy n ASN 686 N 1.11 -3.85 -4.92 2.55 5.03 -0.71 -4.95 115.26 109.52 1ggy n ASN 686 Ca 0.08 0.13 -0.23 0.00 0.87 0.00 0.00 54.58 55.43 1ggy n ASN 686 Cb 0.33 -2.82 0.06 0.00 -1.02 0.00 0.00 39.78 36.33 1ggy n ASN 686 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1ggy s SER 687 N -1.64 5.00 -0.12 6.41 1.04 -0.92 -4.76 113.70 118.72 1ggy s SER 687 Ca 0.00 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 1ggy s SER 687 Cb 0.00 -0.85 0.03 0.00 0.10 0.00 0.00 66.02 65.30 1ggy s SER 687 CO 0.00 -1.38 -0.04 -0.89 0.98 0.00 0.00 173.24 171.91 1ggy s THR 688 N -2.97 0.84 0.18 2.02 2.01 -1.26 -0.77 115.64 115.69 1ggy s THR 688 Ca 0.59 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 1ggy s THR 688 Cb -0.10 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1ggy s THR 688 CO 0.41 0.22 0.41 0.68 -0.69 0.00 0.00 174.62 175.66 1ggy s VAL 689 N 1.77 5.15 -0.02 3.82 -7.23 -0.64 -4.97 120.40 118.27 1ggy s VAL 689 Ca 0.03 -0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1ggy s VAL 689 Cb -0.14 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1ggy s VAL 689 CO -0.07 -0.07 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.97 1ggy s GLN 690 N -2.97 0.89 -0.10 4.82 0.74 -1.26 -1.97 119.66 119.82 1ggy s GLN 690 Ca 0.41 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.54 1ggy s GLN 690 Cb -0.12 -0.85 0.01 0.00 1.10 0.00 0.00 33.01 33.16 1ggy s GLN 690 CO 0.26 0.14 -0.19 -0.46 -0.55 0.00 0.00 175.29 174.50 1ggy s TRP 691 N 0.07 2.14 -0.08 1.67 -0.00 0.18 -4.98 118.94 117.94 1ggy s TRP 691 Ca -0.01 -0.92 0.03 0.00 -0.00 0.00 0.00 56.10 55.21 1ggy s TRP 691 Cb -0.07 -1.48 0.00 0.00 -0.00 0.00 0.00 33.47 31.92 1ggy s TRP 691 CO 0.00 -0.42 -0.19 -1.21 -0.00 0.00 0.00 176.95 175.14 1ggy s GLU 692 N 0.63 2.38 0.02 5.86 2.02 -1.26 0.51 118.70 128.87 1ggy s GLU 692 Ca -0.14 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 1ggy s GLU 692 Cb -0.16 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 1ggy s GLU 692 CO 0.04 0.14 0.06 -2.00 0.02 0.00 0.00 175.26 173.52 1ggy s GLU 693 N 0.40 0.45 -0.25 1.61 2.56 -0.32 -4.98 118.70 118.18 1ggy s GLU 693 Ca -0.15 -0.57 -0.08 0.00 0.00 0.00 0.00 54.97 54.17 1ggy s GLU 693 Cb -0.16 0.18 -0.03 0.00 2.00 0.00 0.00 34.13 36.11 1ggy s GLU 693 CO 0.06 -0.10 0.08 0.08 -0.56 0.00 0.00 175.26 174.83 1ggy s VAL 694 N -1.73 4.49 0.14 3.70 1.01 -1.26 0.46 120.40 127.22 1ggy s VAL 694 Ca -0.13 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1ggy s VAL 694 Cb -0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1ggy s VAL 694 CO -0.01 0.34 0.18 0.00 0.00 0.00 0.00 175.10 175.61 1ggy s ARG 696 N -3.04 1.79 -0.03 0.00 0.52 -1.25 -0.49 118.95 116.45 1ggy s ARG 696 Ca 0.32 -2.68 -0.33 0.00 -0.52 0.00 0.00 55.73 52.52 1ggy s ARG 696 Cb -0.11 -2.71 -0.12 0.00 0.52 0.00 0.00 34.95 32.54 1ggy s ARG 696 CO 0.25 -1.26 1.86 -0.35 0.02 0.00 0.00 175.30 175.82 1ggy n PRO 697 N 2.66 2.30 -0.31 3.54 -0.04 -1.24 -4.60 135.00 137.31 1ggy n PRO 697 Ca 0.18 0.84 0.12 0.00 -0.04 0.00 0.00 63.50 64.60 1ggy n PRO 697 Cb 0.37 -2.70 0.29 0.00 -0.04 0.00 0.00 33.50 31.43 1ggy n PRO 697 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ggy n TRP 698 N 6.36 0.83 -4.18 0.54 2.14 -0.55 -0.50 117.44 122.09 1ggy n TRP 698 Ca 0.21 -0.41 -0.16 0.00 2.07 0.00 0.00 57.50 59.21 1ggy n TRP 698 Cb 0.31 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.67 1ggy n TRP 698 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1ggy s VAL 699 N -1.17 0.51 0.46 -1.67 1.01 -0.93 -4.96 120.40 113.65 1ggy s VAL 699 Ca 0.46 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1ggy s VAL 699 Cb 0.25 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 36.23 1ggy s VAL 699 CO 0.33 0.02 0.62 -1.20 0.00 0.00 0.00 175.10 174.87 1ggy n SER 700 N 2.58 1.73 0.00 3.32 7.64 -1.26 -4.68 113.62 122.94 1ggy n SER 700 Ca -0.15 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1ggy n SER 700 Cb 0.57 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1ggy n SER 700 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ggy n GLY 701 N -0.61 -0.55 3.68 0.23 0.00 -0.93 -4.82 105.19 102.20 1ggy n GLY 701 Ca 0.12 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1ggy n GLY 701 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ggy s HIS 702 N -1.25 2.06 0.00 1.61 5.65 -1.26 -1.80 115.29 120.30 1ggy s HIS 702 Ca 0.00 0.11 0.00 0.00 0.25 0.00 0.00 55.06 55.42 1ggy s HIS 702 Cb 0.00 -4.02 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 1ggy s HIS 702 CO 0.00 -4.25 0.00 0.54 -0.65 0.00 0.00 174.74 170.38 1ggy n ARG 703 N 6.42 1.80 -3.64 2.88 5.12 0.12 -4.95 116.66 124.41 1ggy n ARG 703 Ca 0.17 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.94 1ggy n ARG 703 Cb 0.41 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.64 1ggy n ARG 703 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ggy s LYS 704 N -1.93 0.80 -0.07 5.56 2.20 -1.26 -3.11 119.74 121.93 1ggy s LYS 704 Ca 0.00 0.59 -0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1ggy s LYS 704 Cb 0.00 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1ggy s LYS 704 CO 0.00 -0.16 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.30 1ggy s LEU 705 N -0.24 3.42 0.01 5.43 1.43 -0.47 -3.89 118.68 124.37 1ggy s LEU 705 Ca -0.04 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1ggy s LEU 705 Cb -0.03 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1ggy s LEU 705 CO 0.04 0.36 -0.07 -0.63 0.23 0.00 0.00 176.35 176.27 1ggy s ILE 706 N -0.89 0.56 0.05 -0.59 1.01 0.11 -0.79 121.20 120.66 1ggy s ILE 706 Ca 0.14 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1ggy s ILE 706 Cb -0.11 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1ggy s ILE 706 CO 0.03 0.01 0.03 0.00 0.00 0.00 0.00 174.94 175.01 1ggy s ALA 707 N -0.49 0.23 0.18 9.38 0.00 0.47 0.28 121.76 131.80 1ggy s ALA 707 Ca -0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 1ggy s ALA 707 Cb -0.05 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1ggy s ALA 707 CO 0.00 -0.36 0.37 -1.54 0.00 0.00 0.00 175.76 174.23 1ggy s SER 708 N -2.61 -0.07 -0.02 0.00 1.04 -0.82 -0.01 113.70 111.22 1ggy s SER 708 Ca 0.02 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.71 1ggy s SER 708 Cb 0.04 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1ggy s SER 708 CO -0.08 -0.96 0.04 -0.32 0.98 0.00 0.00 173.24 172.90 1ggy s MET 709 N -3.94 -0.02 -0.21 4.02 1.75 0.12 -0.72 119.30 120.30 1ggy s MET 709 Ca 0.14 0.17 -0.04 0.00 -1.25 0.00 0.00 55.69 54.72 1ggy s MET 709 Cb 0.02 -0.20 0.07 0.00 2.84 0.00 0.00 34.83 37.56 1ggy s MET 709 CO -0.01 -0.14 0.09 0.45 -0.65 0.00 0.00 175.02 174.76 1ggy s SER 710 N 0.89 2.85 0.31 1.11 0.15 -0.06 -3.46 113.70 115.50 1ggy s SER 710 Ca -0.07 -0.88 0.09 0.00 0.70 0.00 0.00 55.95 55.78 1ggy s SER 710 Cb -0.11 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 1ggy s SER 710 CO -0.03 -0.37 0.07 -0.94 1.20 0.00 0.00 173.24 173.17 1ggy s SER 711 N 2.05 4.54 0.65 5.45 1.04 -0.33 -1.64 113.70 125.46 1ggy s SER 711 Ca 0.04 -0.77 0.16 0.00 0.48 0.00 0.00 55.95 55.86 1ggy s SER 711 Cb -0.16 -0.73 0.88 0.00 0.10 0.00 0.00 66.02 66.10 1ggy s SER 711 CO -0.17 -0.18 1.49 0.44 0.98 0.00 0.00 173.24 175.80 1ggy h ASP 712 N 1.72 0.00 0.00 7.02 5.19 -1.47 -3.30 116.42 125.58 1ggy h ASP 712 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1ggy h ASP 712 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1ggy h ASP 712 CO 0.63 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.21 1ggy n SER 713 N -2.67 0.00 -4.78 6.45 3.41 -1.26 -5.04 113.62 109.72 1ggy n SER 713 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.23 1ggy n SER 713 Cb 0.65 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.53 1ggy n SER 713 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ggy s LEU 714 N -4.83 4.36 0.10 1.04 2.96 -1.24 -4.89 118.68 116.16 1ggy s LEU 714 Ca 0.00 1.77 -0.27 0.00 -0.22 0.00 0.00 54.13 55.42 1ggy s LEU 714 Cb 0.00 -3.92 0.08 0.00 0.50 0.00 0.00 46.19 42.85 1ggy s LEU 714 CO 0.00 -0.04 1.03 0.00 -1.32 0.00 0.00 176.35 176.03 1ggy s ARG 715 N -1.99 0.97 0.00 1.98 1.70 -1.26 -1.19 118.95 119.16 1ggy s ARG 715 Ca 0.48 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1ggy s ARG 715 Cb -0.19 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.53 1ggy s ARG 715 CO 0.24 -0.44 0.00 1.58 -1.08 0.00 0.00 175.30 175.59 1ggy n HIS 716 N -0.45 0.00 -4.02 5.89 -0.00 -1.22 -4.79 115.22 110.63 1ggy n HIS 716 Ca -0.07 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.77 1ggy n HIS 716 Cb 0.61 -1.11 -0.15 0.00 -0.12 0.00 0.00 29.99 29.22 1ggy n HIS 716 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1ggy s VAL 717 N -2.85 2.69 0.11 3.57 1.01 -1.25 -4.96 120.40 118.72 1ggy s VAL 717 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1ggy s VAL 717 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ggy s VAL 717 CO 0.00 0.47 -0.20 -0.31 0.00 0.00 0.00 175.10 175.06 1ggy s TYR 718 N 1.38 1.78 0.02 5.22 2.02 -1.26 -0.70 117.35 125.80 1ggy s TYR 718 Ca 0.05 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1ggy s TYR 718 Cb -0.14 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1ggy s TYR 718 CO -0.08 0.22 0.05 0.20 -1.57 0.00 0.00 175.55 174.36 1ggy s GLY 719 N -2.02 0.18 0.09 0.71 0.00 0.99 -3.07 107.32 104.21 1ggy s GLY 719 Ca 0.08 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.15 1ggy s GLY 719 CO 0.05 -0.59 0.38 -1.83 0.00 0.00 0.00 173.10 171.10 1ggy s GLU 720 N -1.83 0.99 -0.03 2.90 -1.05 -1.26 0.18 118.70 118.60 1ggy s GLU 720 Ca -0.12 -0.62 0.01 0.00 -0.15 0.00 0.00 54.97 54.09 1ggy s GLU 720 Cb -0.06 0.43 0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1ggy s GLU 720 CO -0.01 -0.36 -0.01 -1.17 0.95 0.00 0.00 175.26 174.65 1ggy s LEU 721 N -2.53 1.25 -1.20 1.83 0.20 0.03 -4.74 118.68 113.51 1ggy s LEU 721 Ca 0.00 -0.04 -0.08 0.00 0.69 0.00 0.00 54.13 54.70 1ggy s LEU 721 Cb 0.01 -0.25 -0.04 0.00 -0.43 0.00 0.00 46.19 45.48 1ggy s LEU 721 CO -0.09 -0.08 2.87 0.47 -0.29 0.00 0.00 176.35 179.23 1ggy n ASP 722 N 4.05 7.87 -3.61 3.68 9.92 -1.26 -1.36 116.55 135.83 1ggy n ASP 722 Ca -0.26 -2.78 -0.30 0.00 -0.53 0.00 0.00 54.79 50.91 1ggy n ASP 722 Cb 0.51 -1.45 0.26 0.00 -0.64 0.00 0.00 41.12 39.80 1ggy n ASP 722 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ggy s VAL 723 N 0.63 1.43 -0.28 2.53 -7.23 -1.18 -4.79 120.40 111.51 1ggy s VAL 723 Ca 0.64 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1ggy s VAL 723 Cb 0.22 -2.36 0.14 0.00 0.56 0.00 0.00 36.38 34.94 1ggy s VAL 723 CO -0.08 0.00 0.33 -1.58 -0.31 0.00 0.00 175.10 173.47 1ggy s GLN 724 N -5.35 0.34 0.54 4.82 0.74 -1.26 -0.70 119.66 118.79 1ggy s GLN 724 Ca 0.71 0.02 -0.17 0.00 0.05 0.00 0.00 55.36 55.97 1ggy s GLN 724 Cb -0.10 -0.57 -0.06 0.00 1.10 0.00 0.00 33.01 33.38 1ggy s GLN 724 CO 0.56 -0.97 1.03 0.42 -0.55 0.00 0.00 175.29 175.78 1ggy s ILE 725 N 2.43 4.04 0.26 -2.34 -1.09 -0.74 -4.89 121.20 118.87 1ggy s ILE 725 Ca 0.10 1.05 0.11 0.00 -2.23 0.00 0.00 60.65 59.68 1ggy s ILE 725 Cb -0.14 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 1ggy s ILE 725 CO -0.29 -0.49 -0.15 -1.10 -1.23 0.00 0.00 174.94 171.68 1ggy s GLN 726 N -3.85 1.84 0.00 2.79 -1.52 0.02 -2.18 119.66 116.77 1ggy s GLN 726 Ca 0.63 -1.63 0.00 0.00 -1.95 0.00 0.00 55.36 52.40 1ggy s GLN 726 Cb -0.14 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.76 1ggy s GLN 726 CO 0.30 0.35 0.00 -2.13 -0.25 0.00 0.00 175.29 173.56