#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbe s VAL 4 N 0.00 4.83 -0.05 0.00 1.01 -1.26 -3.28 120.40 121.66 3mbe s VAL 4 Ca 0.00 2.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 3mbe s VAL 4 Cb 0.00 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3mbe s VAL 4 CO 0.00 0.08 0.08 0.42 0.00 0.00 0.00 175.10 175.68 3mbe s THR 5 N 1.56 -0.12 0.37 3.92 -4.23 -0.60 -4.68 115.64 111.86 3mbe s THR 5 Ca 0.49 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.41 3mbe s THR 5 Cb -0.19 -0.17 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 3mbe s THR 5 CO 0.22 0.14 0.45 -1.10 -0.54 0.00 0.00 174.62 173.79 3mbe s GLN 6 N 1.81 2.85 -0.28 3.99 -0.21 -1.26 -2.21 119.66 124.36 3mbe s GLN 6 Ca -0.00 -1.23 -0.26 0.00 0.02 0.00 0.00 55.36 53.89 3mbe s GLN 6 Cb -0.12 -2.66 0.16 0.00 1.00 0.00 0.00 33.01 31.39 3mbe s GLN 6 CO -0.04 -0.07 1.23 -1.54 -2.12 0.00 0.00 175.29 172.75 3mbe s SER 7 N -4.18 -0.24 0.54 5.90 1.04 -1.14 -4.46 113.70 111.15 3mbe s SER 7 Ca 0.48 0.43 -0.21 0.00 0.48 0.00 0.00 55.95 57.13 3mbe s SER 7 Cb -0.08 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 3mbe s SER 7 CO 0.30 -0.11 1.24 -2.16 0.98 0.00 0.00 173.24 173.50 3mbe s PRO 8 N -0.11 3.24 0.00 4.02 0.04 -1.26 -1.64 135.00 139.29 3mbe s PRO 8 Ca 0.05 1.94 0.28 0.00 0.04 0.00 0.00 61.00 63.31 3mbe s PRO 8 Cb -0.04 -2.16 1.44 0.00 0.04 0.00 0.00 34.50 33.78 3mbe s PRO 8 CO -0.09 -1.02 1.98 0.54 0.04 0.00 0.00 177.00 178.44 3mbe n ARG 9 N -1.11 0.43 -3.64 4.56 5.12 -1.26 -4.77 116.66 115.98 3mbe n ARG 9 Ca 0.11 0.02 -0.06 0.00 -1.93 0.00 0.00 57.85 55.99 3mbe n ARG 9 Cb 0.48 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.21 3mbe n ARG 9 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3mbe s SER 10 N -2.54 -0.23 -0.03 0.55 0.15 -1.26 -3.29 113.70 107.05 3mbe s SER 10 Ca 0.28 0.42 -0.15 0.00 0.70 0.00 0.00 55.95 57.19 3mbe s SER 10 Cb 0.19 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 3mbe s SER 10 CO 0.42 -0.10 0.33 -0.75 1.20 0.00 0.00 173.24 174.35 3mbe s LYS 11 N -0.06 0.65 -0.11 5.44 2.47 -0.60 -4.98 119.74 122.55 3mbe s LYS 11 Ca 0.05 -0.09 0.02 0.00 -1.56 0.00 0.00 55.97 54.39 3mbe s LYS 11 Cb -0.04 0.29 0.01 0.00 -1.46 0.00 0.00 37.83 36.63 3mbe s LYS 11 CO -0.10 -0.17 -0.15 0.08 0.16 0.00 0.00 175.35 175.17 3mbe s VAL 12 N -1.12 1.48 0.02 4.02 1.01 -1.26 -1.26 120.40 123.29 3mbe s VAL 12 Ca -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3mbe s VAL 12 Cb -0.05 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3mbe s VAL 12 CO 0.04 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.52 3mbe s ALA 13 N 1.00 0.45 0.60 5.51 0.00 -0.17 -4.99 121.76 124.17 3mbe s ALA 13 Ca -0.06 -0.48 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 3mbe s ALA 13 Cb -0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3mbe s ALA 13 CO -0.02 0.03 1.20 0.08 0.00 0.00 0.00 175.76 177.05 3mbe s VAL 14 N -0.77 2.68 -0.01 0.00 1.01 -1.26 -1.15 120.40 120.91 3mbe s VAL 14 Ca -0.05 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 3mbe s VAL 14 Cb -0.06 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 3mbe s VAL 14 CO 0.00 -0.11 1.59 0.42 0.00 0.00 0.00 175.10 177.00 3mbe s THR 15 N -1.68 3.48 0.00 3.92 -4.23 0.89 -2.88 115.64 115.14 3mbe s THR 15 Ca 0.76 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 3mbe s THR 15 Cb -0.29 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.06 3mbe s THR 15 CO 0.34 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 3mbe n GLY 16 N 3.97 1.28 3.74 3.99 0.00 -0.45 -4.93 105.19 112.79 3mbe n GLY 16 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3mbe n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mbe s GLY 17 N -2.00 2.04 -0.47 -0.02 0.00 -1.14 -4.66 107.32 101.06 3mbe s GLY 17 Ca 0.00 -1.89 -0.17 0.00 0.00 0.00 0.00 44.72 42.66 3mbe s GLY 17 CO 0.00 -1.79 0.48 1.25 0.00 0.00 0.00 173.10 173.04 3mbe s LYS 18 N -3.87 3.05 -0.09 2.90 2.20 -1.25 -1.15 119.74 121.53 3mbe s LYS 18 Ca 0.39 -1.08 -0.13 0.00 -0.36 0.00 0.00 55.97 54.79 3mbe s LYS 18 Cb -0.01 -4.09 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 3mbe s LYS 18 CO 0.23 -1.06 0.32 0.08 -0.36 0.00 0.00 175.35 174.56 3mbe s VAL 19 N 2.07 5.23 -0.39 4.02 1.01 -0.99 -5.00 120.40 126.34 3mbe s VAL 19 Ca 0.09 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.70 3mbe s VAL 19 Cb -0.21 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.67 3mbe s VAL 19 CO 0.10 0.51 0.21 -0.89 0.00 0.00 0.00 175.10 175.02 3mbe s THR 20 N -0.44 0.95 0.06 3.92 2.01 -1.26 -2.07 115.64 118.80 3mbe s THR 20 Ca 0.20 -2.11 -0.30 0.00 0.31 0.00 0.00 61.69 59.78 3mbe s THR 20 Cb -0.14 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 3mbe s THR 20 CO 0.08 -0.89 1.08 -0.76 -0.69 0.00 0.00 174.62 173.45 3mbe s LEU 21 N 0.78 4.40 0.28 4.42 1.43 -0.36 -4.70 118.68 124.92 3mbe s LEU 21 Ca 0.16 1.88 0.08 0.00 -1.03 0.00 0.00 54.13 55.22 3mbe s LEU 21 Cb -0.23 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3mbe s LEU 21 CO -0.04 -0.32 0.14 -0.44 0.23 0.00 0.00 176.35 175.92 3mbe s SER 22 N 0.79 5.11 -0.01 2.29 0.01 -0.65 -0.25 113.70 120.99 3mbe s SER 22 Ca 0.54 -0.46 -0.09 0.00 1.31 0.00 0.00 55.95 57.25 3mbe s SER 22 Cb -0.26 -1.11 0.01 0.00 0.21 0.00 0.00 66.02 64.87 3mbe s SER 22 CO 0.30 -0.09 0.20 0.00 0.41 0.00 0.00 173.24 174.05 3mbe s HIS 24 N -1.17 -0.68 0.04 0.00 2.46 -0.94 -2.33 115.29 112.68 3mbe s HIS 24 Ca -0.12 1.38 0.07 0.00 0.47 0.00 0.00 55.06 56.86 3mbe s HIS 24 Cb -0.06 0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.63 3mbe s HIS 24 CO 0.02 -0.41 -0.21 -1.14 -2.47 0.00 0.00 174.74 170.54 3mbe s GLN 25 N 2.00 1.43 -0.41 2.88 -0.44 0.10 -1.56 119.66 123.65 3mbe s GLN 25 Ca -0.05 -0.92 0.05 0.00 -2.50 0.00 0.00 55.36 51.93 3mbe s GLN 25 Cb -0.10 -1.52 0.43 0.00 -1.64 0.00 0.00 33.01 30.18 3mbe s GLN 25 CO -0.13 0.39 1.25 2.41 0.50 0.00 0.00 175.29 179.72 3mbe n THR 26 N 1.92 2.58 0.07 -0.34 -1.04 -1.20 -4.61 114.28 111.66 3mbe n THR 26 Ca -0.17 -4.48 0.04 0.00 -2.04 0.00 0.00 64.05 57.40 3mbe n THR 26 Cb 0.53 -1.21 0.09 0.00 -1.82 0.00 0.00 70.33 67.92 3mbe n THR 26 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mbe n ASN 27 N -0.61 2.34 -4.11 8.00 3.02 -1.26 -3.91 115.26 118.73 3mbe n ASN 27 Ca 0.43 -1.75 -0.33 0.00 -0.03 0.00 0.00 54.58 52.91 3mbe n ASN 27 Cb 0.77 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 3mbe n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3mbe n ASN 28 N 0.39 -2.76 -4.83 6.41 4.05 -1.26 -4.94 115.26 112.32 3mbe n ASN 28 Ca 0.08 -0.98 -0.38 0.00 0.45 0.00 0.00 54.58 53.75 3mbe n ASN 28 Cb 0.32 -3.00 -0.06 0.00 1.23 0.00 0.00 39.78 38.28 3mbe n ASN 28 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 3mbe s HIS 29 N -3.46 3.70 0.01 1.20 3.76 -1.26 -4.97 115.29 114.27 3mbe s HIS 29 Ca 0.54 0.96 -0.10 0.00 -0.15 0.00 0.00 55.06 56.31 3mbe s HIS 29 Cb -0.29 -2.29 -0.32 0.00 1.11 0.00 0.00 32.58 30.79 3mbe s HIS 29 CO 0.90 0.61 0.90 -0.44 -0.85 0.00 0.00 174.74 175.86 3mbe h ASP 37 N 4.89 0.62 -3.55 1.40 3.32 -1.78 -3.46 116.42 117.87 3mbe h ASP 37 Ca -0.51 -0.77 -0.52 0.00 0.02 0.00 0.00 57.03 55.25 3mbe h ASP 37 Cb 1.22 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3mbe h ASP 37 CO 0.63 1.62 0.21 -0.31 -1.72 0.00 0.00 179.24 179.67 3mbe s TYR 38 N -2.61 3.91 0.06 4.55 1.51 -0.70 -4.15 117.35 119.92 3mbe s TYR 38 Ca -0.10 1.67 0.01 0.00 -1.01 0.00 0.00 57.07 57.64 3mbe s TYR 38 Cb 0.05 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 3mbe s TYR 38 CO 0.89 0.48 -0.06 -1.64 -1.11 0.00 0.00 175.55 174.11 3mbe s MET 39 N -1.04 0.60 0.08 -0.62 -1.94 -0.79 -1.29 119.30 114.29 3mbe s MET 39 Ca 0.37 -0.95 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 3mbe s MET 39 Cb -0.23 -0.16 -0.04 0.00 2.01 0.00 0.00 34.83 36.40 3mbe s MET 39 CO 0.27 0.00 -0.07 0.71 -0.01 0.00 0.00 175.02 175.93 3mbe s TYR 40 N -2.30 0.80 -0.16 -0.03 1.51 0.77 -2.17 117.35 115.77 3mbe s TYR 40 Ca -0.03 -0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 55.21 3mbe s TYR 40 Cb -0.04 -0.47 0.04 0.00 -0.11 0.00 0.00 41.96 41.38 3mbe s TYR 40 CO -0.02 -0.15 -0.06 -1.58 -1.11 0.00 0.00 175.55 172.62 3mbe s TRP 41 N -3.05 1.74 0.54 2.71 0.52 -0.39 -2.59 118.94 118.42 3mbe s TRP 41 Ca 0.06 -1.07 0.07 0.00 0.02 0.00 0.00 56.10 55.17 3mbe s TRP 41 Cb 0.01 -1.34 0.04 0.00 -1.15 0.00 0.00 33.47 31.04 3mbe s TRP 41 CO -0.04 -0.61 0.50 0.71 0.02 0.00 0.00 176.95 177.53 3mbe s TYR 42 N 1.62 1.70 -0.07 -1.98 1.51 -0.44 -1.28 117.35 118.42 3mbe s TYR 42 Ca 0.01 -0.77 -0.07 0.00 -1.01 0.00 0.00 57.07 55.24 3mbe s TYR 42 Cb -0.15 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3mbe s TYR 42 CO -0.08 -0.61 0.18 -0.98 -1.11 0.00 0.00 175.55 172.95 3mbe s ARG 43 N -4.36 0.23 -0.29 -0.62 1.70 -1.05 -2.67 118.95 111.89 3mbe s ARG 43 Ca 0.43 0.23 -0.04 0.00 -0.47 0.00 0.00 55.73 55.88 3mbe s ARG 43 Cb -0.03 0.11 0.03 0.00 -0.57 0.00 0.00 34.95 34.48 3mbe s ARG 43 CO 0.27 -0.03 0.03 -1.14 -1.08 0.00 0.00 175.30 173.35 3mbe s GLN 44 N 0.03 2.83 0.16 3.89 0.74 -0.84 -2.05 119.66 124.42 3mbe s GLN 44 Ca -0.01 -1.01 0.05 0.00 0.05 0.00 0.00 55.36 54.44 3mbe s GLN 44 Cb -0.02 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 3mbe s GLN 44 CO 0.00 -0.50 0.12 -0.51 -0.55 0.00 0.00 175.29 173.85 3mbe s ASP 45 N 1.39 5.42 0.00 6.67 1.01 -1.25 -3.59 116.67 126.31 3mbe s ASP 45 Ca -0.00 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.10 3mbe s ASP 45 Cb -0.18 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.37 3mbe s ASP 45 CO -0.00 0.08 0.00 0.35 0.21 0.00 0.00 175.17 175.80 3mbe n THR 46 N -0.29 0.00 -2.08 -1.27 -2.24 -1.26 -1.70 114.28 105.44 3mbe n THR 46 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3mbe n THR 46 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3mbe n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mbe n GLY 47 N 0.00 0.00 1.64 3.38 0.00 -1.26 -4.78 105.19 104.17 3mbe n GLY 47 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3mbe n GLY 47 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mbe n HIS 48 N -0.43 -0.07 0.00 1.61 1.44 -0.69 -5.15 115.22 111.93 3mbe n HIS 48 Ca 0.00 -0.86 0.00 0.00 -2.01 0.00 0.00 57.72 54.85 3mbe n HIS 48 Cb 0.00 0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.37 3mbe n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3mbe n GLY 49 N -0.06 1.44 3.82 -1.39 0.00 -1.26 -4.94 105.19 102.80 3mbe n GLY 49 Ca -0.08 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 3mbe n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbe s LEU 50 N -0.55 4.45 -0.09 0.99 1.02 -1.26 -3.92 118.68 119.32 3mbe s LEU 50 Ca 0.00 1.29 0.02 0.00 0.02 0.00 0.00 54.13 55.46 3mbe s LEU 50 Cb 0.00 -3.17 0.01 0.00 0.02 0.00 0.00 46.19 43.05 3mbe s LEU 50 CO 0.00 0.18 -0.14 -0.13 0.02 0.00 0.00 176.35 176.28 3mbe s ARG 51 N -1.50 1.97 0.46 1.70 0.52 -0.87 -4.90 118.95 116.34 3mbe s ARG 51 Ca 0.35 -0.48 -0.25 0.00 -0.52 0.00 0.00 55.73 54.83 3mbe s ARG 51 Cb -0.18 -1.68 -0.08 0.00 0.52 0.00 0.00 34.95 33.54 3mbe s ARG 51 CO 0.20 -0.03 1.39 -1.17 0.02 0.00 0.00 175.30 175.71 3mbe s LEU 52 N 0.89 4.07 0.00 2.53 2.96 -1.26 -2.52 118.68 125.35 3mbe s LEU 52 Ca -0.09 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 3mbe s LEU 52 Cb -0.15 -4.00 0.00 0.00 0.50 0.00 0.00 46.19 42.53 3mbe s LEU 52 CO 0.01 -1.20 0.00 -0.38 -1.32 0.00 0.00 176.35 173.45 3mbe n ILE 53 N -0.32 0.00 -3.79 6.68 5.41 -0.40 -1.69 119.36 125.24 3mbe n ILE 53 Ca 0.06 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 3mbe n ILE 53 Cb 0.43 -1.24 -0.11 0.00 -0.71 0.00 0.00 39.64 38.02 3mbe n ILE 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3mbe s HIS 54 N -1.98 -0.22 0.42 1.39 3.76 -1.21 -0.27 115.29 117.18 3mbe s HIS 54 Ca 0.00 0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.45 3mbe s HIS 54 Cb 0.00 0.08 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 3mbe s HIS 54 CO 0.00 -0.22 0.13 1.52 -0.85 0.00 0.00 174.74 175.33 3mbe s TYR 55 N -0.40 1.78 -0.30 1.40 1.13 -0.54 -1.26 117.35 119.17 3mbe s TYR 55 Ca -0.05 -1.31 -0.15 0.00 -1.41 0.00 0.00 57.07 54.15 3mbe s TYR 55 Cb -0.03 -1.16 0.16 0.00 -1.10 0.00 0.00 41.96 39.83 3mbe s TYR 55 CO 0.01 -0.32 1.00 0.45 -2.51 0.00 0.00 175.55 174.18 3mbe s SER 56 N -3.62 -0.53 -0.09 -0.18 0.15 -0.92 -0.59 113.70 107.92 3mbe s SER 56 Ca 0.23 0.77 0.13 0.00 0.70 0.00 0.00 55.95 57.78 3mbe s SER 56 Cb 0.02 1.49 0.20 0.00 -1.71 0.00 0.00 66.02 66.02 3mbe s SER 56 CO 0.15 -0.11 1.09 0.00 1.20 0.00 0.00 173.24 175.56 3mbe n TYR 57 N 4.51 0.00 -3.60 3.44 0.18 -1.26 -1.89 117.16 118.54 3mbe n TYR 57 Ca -0.12 -0.74 -0.02 0.00 1.88 0.00 0.00 57.90 58.90 3mbe n TYR 57 Cb 0.54 -0.12 -0.05 0.00 -0.38 0.00 0.00 39.34 39.34 3mbe n TYR 57 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3mbe s VAL 58 N -2.09 -0.70 0.05 -3.48 0.11 -1.26 -4.79 120.40 108.24 3mbe s VAL 58 Ca 0.22 0.00 -0.35 0.00 -2.93 0.00 0.00 61.98 58.92 3mbe s VAL 58 Cb 0.19 -1.00 -0.18 0.00 -1.53 0.00 0.00 36.38 33.86 3mbe s VAL 58 CO 0.02 0.00 0.87 0.00 -3.33 0.00 0.00 175.10 172.66 3mbe n ALA 63 N 5.09 -3.30 -1.38 1.54 0.00 -1.26 -0.48 120.51 120.73 3mbe n ALA 63 Ca -0.13 0.53 -0.08 0.00 0.00 0.00 0.00 53.44 53.75 3mbe n ALA 63 Cb 0.52 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 3mbe n ALA 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mbe n ASP 64 N 1.56 -3.84 -3.91 0.00 8.00 0.27 -5.00 116.55 113.64 3mbe n ASP 64 Ca 0.18 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 3mbe n ASP 64 Cb 0.12 -2.24 -0.16 0.00 -0.02 0.00 0.00 41.12 38.82 3mbe n ASP 64 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3mbe s SER 65 N -2.87 2.93 0.00 -2.24 0.15 0.37 -4.95 113.70 107.10 3mbe s SER 65 Ca 0.00 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.95 3mbe s SER 65 Cb 0.00 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.31 3mbe s SER 65 CO 0.00 -0.18 0.06 -0.89 1.20 0.00 0.00 173.24 173.43 3mbe s THR 66 N 1.59 4.55 -0.03 6.45 2.01 -1.26 -4.23 115.64 124.73 3mbe s THR 66 Ca 0.00 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.54 3mbe s THR 66 Cb -0.15 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.29 3mbe s THR 66 CO -0.08 0.34 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.51 3mbe s GLU 67 N -1.72 0.91 0.65 4.92 0.41 0.25 -4.99 118.70 119.11 3mbe s GLU 67 Ca 0.22 -0.24 -0.17 0.00 -0.41 0.00 0.00 54.97 54.37 3mbe s GLU 67 Cb -0.12 -0.86 -0.01 0.00 -1.78 0.00 0.00 34.13 31.37 3mbe s GLU 67 CO 0.13 0.05 1.23 0.15 -0.49 0.00 0.00 175.26 176.34 3mbe s LYS 68 N 0.40 2.61 0.00 1.61 1.02 -1.26 -1.46 119.74 122.66 3mbe s LYS 68 Ca -0.06 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.81 3mbe s LYS 68 Cb -0.10 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3mbe s LYS 68 CO 0.01 -1.50 0.00 0.41 -0.92 0.00 0.00 175.35 173.35 3mbe n GLY 69 N 0.58 2.74 0.11 -3.33 0.00 0.63 -4.63 105.19 101.30 3mbe n GLY 69 Ca 0.14 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.08 3mbe n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mbe h ASP 70 N 0.00 0.45 -2.27 1.61 3.32 -1.54 -3.39 116.42 114.60 3mbe h ASP 70 Ca 0.00 -0.95 -0.60 0.00 0.02 0.00 0.00 57.03 55.50 3mbe h ASP 70 Cb 0.00 -0.15 -0.41 0.00 0.22 0.00 0.00 39.33 38.99 3mbe h ASP 70 CO 0.00 1.40 -0.56 2.30 -1.72 0.00 0.00 179.24 180.66 3mbe n ILE 71 N -4.12 2.98 1.66 0.35 -6.64 -1.07 -4.86 119.36 107.66 3mbe n ILE 71 Ca -0.15 -5.49 0.09 0.00 -1.77 0.00 0.00 62.75 55.43 3mbe n ILE 71 Cb 0.82 -1.63 0.41 0.00 -1.44 0.00 0.00 39.64 37.80 3mbe n ILE 71 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 3mbe n PRO 72 N 0.12 1.30 -2.29 6.28 -0.02 -1.26 -4.79 135.00 134.34 3mbe n PRO 72 Ca 0.31 -0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 60.90 3mbe n PRO 72 Cb 0.39 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 3mbe n PRO 72 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mbe s ASP 74 N -1.49 6.65 0.00 2.55 1.01 -1.26 -2.83 116.67 121.30 3mbe s ASP 74 Ca 0.26 1.53 0.00 0.00 0.71 0.00 0.00 52.55 55.06 3mbe s ASP 74 Cb 0.13 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3mbe s ASP 74 CO 0.21 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 175.15 3mbe n GLY 75 N 4.24 0.81 3.28 0.21 0.00 -1.26 -5.07 105.19 107.39 3mbe n GLY 75 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3mbe n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mbe s TYR 76 N -2.13 1.68 -0.16 1.61 2.02 -1.13 -4.56 117.35 114.68 3mbe s TYR 76 Ca 0.00 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.22 3mbe s TYR 76 Cb 0.00 -0.89 0.05 0.00 -0.40 0.00 0.00 41.96 40.72 3mbe s TYR 76 CO 0.00 0.21 0.02 0.15 -1.57 0.00 0.00 175.55 174.36 3mbe s LYS 77 N -2.21 0.68 0.78 -0.62 1.02 0.51 -4.96 119.74 114.95 3mbe s LYS 77 Ca 0.08 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.71 3mbe s LYS 77 Cb -0.08 -1.82 0.13 0.00 -0.52 0.00 0.00 37.83 35.53 3mbe s LYS 77 CO 0.04 -0.55 1.09 0.00 -0.92 0.00 0.00 175.35 175.02 3mbe s ALA 78 N 1.88 3.11 -0.30 5.17 0.00 -1.26 -1.57 121.76 128.79 3mbe s ALA 78 Ca 0.01 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 3mbe s ALA 78 Cb -0.16 -2.41 0.17 0.00 0.00 0.00 0.00 23.12 20.73 3mbe s ALA 78 CO -0.07 -1.68 0.92 0.45 0.00 0.00 0.00 175.76 175.37 3mbe s SER 79 N -4.71 -0.72 -0.97 0.00 0.15 -0.68 -4.94 113.70 101.83 3mbe s SER 79 Ca 0.67 0.65 -0.05 0.00 0.70 0.00 0.00 55.95 57.91 3mbe s SER 79 Cb -0.07 1.68 0.24 0.00 -1.71 0.00 0.00 66.02 66.17 3mbe s SER 79 CO 0.47 -0.13 0.90 -0.60 1.20 0.00 0.00 173.24 175.07 3mbe s ARG 80 N 2.75 3.63 0.00 5.44 6.06 -1.26 -1.47 118.95 134.10 3mbe s ARG 80 Ca 0.02 -3.21 0.00 0.00 -2.50 0.00 0.00 55.73 50.04 3mbe s ARG 80 Cb -0.10 -4.20 0.00 0.00 0.06 0.00 0.00 34.95 30.71 3mbe s ARG 80 CO -0.16 -1.25 0.77 -0.35 -2.50 0.00 0.00 175.30 171.81 3mbe n PRO 81 N 2.56 0.00 -0.38 5.12 -0.04 -1.25 0.96 135.00 141.98 3mbe n PRO 81 Ca 0.22 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3mbe n PRO 81 Cb 0.38 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 3mbe n PRO 81 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mbe n SER 83 N -1.43 0.04 0.16 3.54 3.41 -1.26 -4.13 113.62 113.94 3mbe n SER 83 Ca 0.00 -0.37 0.10 0.00 -0.26 0.00 0.00 58.87 58.34 3mbe n SER 83 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 3mbe n SER 83 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3mbe h GLN 84 N 0.00 0.00 0.00 4.33 4.15 -1.95 -3.33 115.11 118.30 3mbe h GLN 84 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3mbe h GLN 84 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3mbe h GLN 84 CO 0.00 0.08 -1.29 0.39 -1.93 0.00 0.00 178.83 176.08 3mbe n GLU 85 N -2.96 0.42 -5.15 1.69 4.71 -1.26 -4.82 120.64 113.28 3mbe n GLU 85 Ca 0.01 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.16 56.81 3mbe n GLU 85 Cb 0.59 -1.61 -0.15 0.00 -1.01 0.00 0.00 31.44 29.26 3mbe n GLU 85 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3mbe s ASN 86 N -4.27 3.38 -0.26 1.62 0.01 -1.25 -0.73 114.94 113.44 3mbe s ASN 86 Ca 0.00 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 51.74 3mbe s ASN 86 Cb 0.14 -0.72 0.14 0.00 0.41 0.00 0.00 41.25 41.22 3mbe s ASN 86 CO 0.83 0.29 0.37 0.12 -1.51 0.00 0.00 177.10 177.20 3mbe s PHE 87 N -0.44 -0.79 -0.11 2.20 5.36 -0.98 -3.75 117.98 119.47 3mbe s PHE 87 Ca 0.05 0.49 -0.06 0.00 -0.96 0.00 0.00 56.93 56.45 3mbe s PHE 87 Cb -0.12 -0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.39 3mbe s PHE 87 CO 0.01 -0.82 0.11 -1.12 -1.46 0.00 0.00 175.22 171.94 3mbe s SER 88 N 2.50 6.15 -0.11 6.13 0.01 -0.54 -2.97 113.70 124.88 3mbe s SER 88 Ca 0.11 0.40 -0.04 0.00 1.31 0.00 0.00 55.95 57.72 3mbe s SER 88 Cb -0.14 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 3mbe s SER 88 CO -0.22 0.40 0.07 -0.22 0.41 0.00 0.00 173.24 173.67 3mbe s LEU 89 N -1.04 3.97 -0.07 2.44 2.96 0.66 -1.69 118.68 125.92 3mbe s LEU 89 Ca 0.15 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 3mbe s LEU 89 Cb -0.12 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3mbe s LEU 89 CO 0.04 0.39 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.79 3mbe s ILE 90 N -0.91 0.63 -0.24 6.68 1.09 -0.61 -1.22 121.20 126.62 3mbe s ILE 90 Ca 0.14 -0.09 -0.07 0.00 -1.10 0.00 0.00 60.65 59.52 3mbe s ILE 90 Cb -0.12 -0.69 -0.03 0.00 -1.06 0.00 0.00 42.46 40.56 3mbe s ILE 90 CO 0.03 0.28 0.08 -0.76 -0.10 0.00 0.00 174.94 174.46 3mbe s LEU 91 N 1.47 3.52 0.01 2.97 1.43 -0.88 -0.36 118.68 126.84 3mbe s LEU 91 Ca -0.02 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3mbe s LEU 91 Cb -0.13 -1.94 -0.27 0.00 0.03 0.00 0.00 46.19 43.87 3mbe s LEU 91 CO -0.03 -0.01 0.89 -0.33 0.23 0.00 0.00 176.35 177.10 3mbe h GLU 92 N 8.03 0.24 -3.07 1.70 4.39 -1.82 -2.64 114.58 121.41 3mbe h GLU 92 Ca -0.38 -0.41 -0.62 0.00 0.34 0.00 0.00 59.36 58.30 3mbe h GLU 92 Cb 1.18 0.15 -0.40 0.00 -0.10 0.00 0.00 28.75 29.57 3mbe h GLU 92 CO 0.59 1.11 -0.70 -0.51 -1.16 0.00 0.00 179.01 178.33 3mbe s LEU 93 N -6.97 3.26 0.00 1.33 1.43 -1.26 -3.83 118.68 112.64 3mbe s LEU 93 Ca -0.08 -2.87 -0.37 0.00 -1.03 0.00 0.00 54.13 49.78 3mbe s LEU 93 Cb 0.07 -1.22 -0.16 0.00 0.03 0.00 0.00 46.19 44.91 3mbe s LEU 93 CO 0.85 -0.24 1.52 0.00 0.23 0.00 0.00 176.35 178.72 3mbe n ALA 94 N 3.24 -0.24 -2.17 4.21 0.00 -0.30 -4.67 120.51 120.59 3mbe n ALA 94 Ca 0.10 0.46 -0.22 0.00 0.00 0.00 0.00 53.44 53.78 3mbe n ALA 94 Cb 0.35 -2.19 0.02 0.00 0.00 0.00 0.00 19.45 17.63 3mbe n ALA 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mbe s SER 95 N 1.55 5.00 0.11 0.00 1.04 -1.26 -1.34 113.70 118.81 3mbe s SER 95 Ca 0.87 -0.92 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 3mbe s SER 95 Cb -0.91 0.13 -0.16 0.00 0.10 0.00 0.00 66.02 65.18 3mbe s SER 95 CO 0.50 -1.13 1.24 -0.07 0.98 0.00 0.00 173.24 174.76 3mbe h LEU 96 N 0.51 0.57 0.00 2.42 3.38 -1.93 -3.24 115.31 117.01 3mbe h LEU 96 Ca -0.34 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3mbe h LEU 96 Cb 1.29 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3mbe h LEU 96 CO 0.48 1.31 0.00 -1.54 0.09 0.00 0.00 178.44 178.79 3mbe n SER 97 N -3.71 0.00 -1.45 -0.43 3.41 -1.26 -3.11 113.62 107.06 3mbe n SER 97 Ca -0.08 -1.27 0.08 0.00 -0.26 0.00 0.00 58.87 57.34 3mbe n SER 97 Cb 0.90 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.19 3mbe n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mbe n GLN 98 N -0.80 3.99 -2.65 4.33 6.02 -1.22 -4.90 117.38 122.15 3mbe n GLN 98 Ca 0.13 -2.98 -0.43 0.00 -0.01 0.00 0.00 57.00 53.71 3mbe n GLN 98 Cb 0.06 -2.04 -0.02 0.00 1.02 0.00 0.00 30.24 29.26 3mbe n GLN 98 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3mbe s THR 99 N -2.61 4.55 0.03 5.09 2.01 -1.18 -4.90 115.64 118.62 3mbe s THR 99 Ca 0.49 1.78 -0.07 0.00 0.31 0.00 0.00 61.69 64.20 3mbe s THR 99 Cb 0.37 -4.39 0.02 0.00 0.01 0.00 0.00 72.50 68.51 3mbe s THR 99 CO 0.15 -0.42 0.32 0.00 -0.69 0.00 0.00 174.62 173.98 3mbe n ALA 100 N 6.76 -0.87 -3.71 7.40 0.00 -1.14 -5.00 120.51 123.95 3mbe n ALA 100 Ca 0.12 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 3mbe n ALA 100 Cb 0.47 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 3mbe n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mbe s VAL 101 N -2.30 2.88 -0.31 0.00 1.01 -1.24 -1.26 120.40 119.17 3mbe s VAL 101 Ca 0.07 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 3mbe s VAL 101 Cb -0.01 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3mbe s VAL 101 CO 0.01 0.04 0.31 -0.31 0.00 0.00 0.00 175.10 175.14 3mbe s TYR 102 N 1.27 3.22 -0.17 5.22 1.51 -1.07 -1.98 117.35 125.36 3mbe s TYR 102 Ca -0.03 0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 56.03 3mbe s TYR 102 Cb -0.18 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 3mbe s TYR 102 CO -0.03 -0.31 0.09 -0.06 -1.11 0.00 0.00 175.55 174.13 3mbe s PHE 103 N 1.93 3.36 -0.21 2.71 0.40 -1.09 -2.66 117.98 122.42 3mbe s PHE 103 Ca 0.11 0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.60 3mbe s PHE 103 Cb -0.16 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3mbe s PHE 103 CO 0.11 0.31 0.07 0.00 0.70 0.00 0.00 175.22 176.41 3mbe s ALA 105 N 0.90 1.49 0.36 0.00 0.00 -1.07 0.34 121.76 123.78 3mbe s ALA 105 Ca 0.04 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.75 3mbe s ALA 105 Cb -0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3mbe s ALA 105 CO 0.03 0.11 0.07 -1.54 0.00 0.00 0.00 175.76 174.43 3mbe s SER 106 N -2.41 2.56 0.14 0.00 1.04 -0.88 -0.17 113.70 113.98 3mbe s SER 106 Ca 0.08 -1.47 -0.24 0.00 0.48 0.00 0.00 55.95 54.81 3mbe s SER 106 Cb -0.05 0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.25 3mbe s SER 106 CO 0.03 -0.71 1.09 -0.94 0.98 0.00 0.00 173.24 173.69 3mbe s SER 107 N -3.54 -0.01 -0.30 7.02 1.04 -0.41 -1.55 113.70 115.95 3mbe s SER 107 Ca 0.32 -0.56 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 3mbe s SER 107 Cb 0.07 0.43 0.20 0.00 0.10 0.00 0.00 66.02 66.82 3mbe s SER 107 CO 0.15 -0.85 1.23 0.86 0.98 0.00 0.00 173.24 175.61 3mbe s TRP 108 N -2.20 -0.13 0.00 5.02 -0.11 -1.26 -1.72 118.94 118.54 3mbe s TRP 108 Ca 0.22 0.26 0.00 0.00 1.22 0.00 0.00 56.10 57.81 3mbe s TRP 108 Cb -0.02 0.08 0.00 0.00 -1.50 0.00 0.00 33.47 32.03 3mbe s TRP 108 CO 0.04 -0.07 0.00 -3.47 -4.62 0.00 0.00 176.95 168.83 3mbe n ASP 109 N 3.37 0.00 -4.68 5.86 2.03 -1.26 -4.71 116.55 117.15 3mbe n ASP 109 Ca -0.16 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.75 3mbe n ASP 109 Cb 0.56 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.91 3mbe n ASP 109 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3mbe s ARG 110 N 0.16 4.30 0.69 -0.67 0.52 -1.26 -4.76 118.95 117.94 3mbe s ARG 110 Ca 0.00 0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 55.80 3mbe s ARG 110 Cb 0.00 -3.53 -0.13 0.00 0.52 0.00 0.00 34.95 31.81 3mbe s ARG 110 CO 0.00 -0.13 -0.45 0.00 0.02 0.00 0.00 175.30 174.75 3mbe n ALA 112 N 4.57 -4.16 -2.56 2.13 0.00 -1.26 -4.89 120.51 114.34 3mbe n ALA 112 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3mbe n ALA 112 Cb 0.50 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3mbe n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mbe n GLY 113 N 2.73 1.24 4.78 0.00 0.00 -1.26 -5.02 105.19 107.66 3mbe n GLY 113 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mbe n GLY 113 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mbe n ASN 114 N 0.00 0.00 0.00 1.61 0.23 -1.26 -4.08 115.26 111.76 3mbe n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3mbe n ASN 114 Cb 0.00 -1.46 0.00 0.00 -2.08 0.00 0.00 39.78 36.24 3mbe n ASN 114 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3mbe n THR 115 N -2.00 0.00 -2.84 5.53 -2.24 -1.26 -5.07 114.28 106.40 3mbe n THR 115 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3mbe n THR 115 Cb 0.00 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 3mbe n THR 115 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3mbe s LEU 116 N 0.00 4.56 -0.08 3.22 0.05 -1.25 -4.30 118.68 120.87 3mbe s LEU 116 Ca 0.00 1.75 -0.00 0.00 0.05 0.00 0.00 54.13 55.93 3mbe s LEU 116 Cb 0.00 -3.46 0.02 0.00 -2.05 0.00 0.00 46.19 40.70 3mbe s LEU 116 CO 0.00 0.09 -0.05 -0.31 -0.55 0.00 0.00 176.35 175.53 3mbe s TYR 117 N -0.66 1.09 0.67 3.48 4.12 -0.60 -4.93 117.35 120.53 3mbe s TYR 117 Ca 0.41 -0.44 -0.10 0.00 0.02 0.00 0.00 57.07 56.95 3mbe s TYR 117 Cb -0.24 -0.98 0.01 0.00 -1.52 0.00 0.00 41.96 39.23 3mbe s TYR 117 CO 0.28 -0.37 1.05 -0.06 0.02 0.00 0.00 175.55 176.47 3mbe s PHE 118 N 1.56 3.34 0.00 2.71 0.40 -1.26 -2.08 117.98 122.65 3mbe s PHE 118 Ca 0.00 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 3mbe s PHE 118 Cb -0.13 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.43 3mbe s PHE 118 CO -0.05 -1.06 0.00 0.41 0.70 0.00 0.00 175.22 175.22 3mbe n GLY 119 N -2.90 0.54 0.04 4.36 0.00 1.03 -4.69 105.19 103.57 3mbe n GLY 119 Ca 0.06 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.52 3mbe n GLY 119 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mbe n GLU 120 N 0.00 2.07 0.00 1.61 0.00 -1.26 -4.86 120.64 118.19 3mbe n GLU 120 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 57.16 55.65 3mbe n GLU 120 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 31.44 30.46 3mbe n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mbe n GLY 121 N -0.56 -1.96 2.63 -1.84 0.00 -1.26 -5.00 105.19 97.20 3mbe n GLY 121 Ca 0.03 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3mbe n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mbe s SER 122 N -2.27 3.65 -0.30 1.61 0.01 -1.09 -4.83 113.70 110.49 3mbe s SER 122 Ca 0.00 -1.78 -0.29 0.00 1.31 0.00 0.00 55.95 55.19 3mbe s SER 122 Cb 0.00 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.55 3mbe s SER 122 CO 0.00 -0.38 1.70 -0.60 0.41 0.00 0.00 173.24 174.37 3mbe s ARG 123 N 1.47 3.52 -0.11 12.44 3.52 -1.21 -2.59 118.95 135.99 3mbe s ARG 123 Ca 0.12 1.47 -0.04 0.00 -0.13 0.00 0.00 55.73 57.15 3mbe s ARG 123 Cb -0.19 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.04 3mbe s ARG 123 CO -0.20 -1.63 0.06 -1.17 -0.81 0.00 0.00 175.30 171.54 3mbe s LEU 124 N 6.17 3.88 -0.03 -0.88 2.96 -0.39 -1.56 118.68 128.83 3mbe s LEU 124 Ca 0.76 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 3mbe s LEU 124 Cb -0.23 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.55 3mbe s LEU 124 CO 0.32 0.36 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.04 3mbe s ILE 125 N -0.73 0.40 -0.16 6.68 1.01 -0.39 -2.89 121.20 125.12 3mbe s ILE 125 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.69 3mbe s ILE 125 Cb -0.12 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 41.96 3mbe s ILE 125 CO 0.03 0.17 -0.19 -0.69 0.00 0.00 0.00 174.94 174.25 3mbe s VAL 126 N 0.63 1.95 0.25 2.92 1.01 -1.26 -1.00 120.40 124.89 3mbe s VAL 126 Ca -0.07 -0.88 0.11 0.00 0.00 0.00 0.00 61.98 61.13 3mbe s VAL 126 Cb -0.11 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3mbe s VAL 126 CO -0.00 0.52 -0.13 -0.69 0.00 0.00 0.00 175.10 174.80 3mbe s VAL 127 N 1.17 2.84 0.15 2.92 1.01 -0.30 -4.86 120.40 123.32 3mbe s VAL 127 Ca 0.01 -2.12 -0.03 0.00 0.00 0.00 0.00 61.98 59.84 3mbe s VAL 127 Cb -0.14 -2.47 -0.15 0.00 0.00 0.00 0.00 36.38 33.62 3mbe s VAL 127 CO -0.09 -0.32 1.36 -0.33 0.00 0.00 0.00 175.10 175.73 3mbe h GLU 128 N 2.36 0.41 -3.21 2.72 5.08 -1.94 0.25 114.58 120.26 3mbe h GLU 128 Ca -0.43 -0.39 -0.23 0.00 -1.00 0.00 0.00 59.36 57.31 3mbe h GLU 128 Cb 1.24 0.10 -0.31 0.00 0.50 0.00 0.00 28.75 30.28 3mbe h GLU 128 CO 0.58 1.04 -0.57 0.34 -1.00 0.00 0.00 179.01 179.40 3mbe s ASP 129 N -7.03 -0.14 0.59 1.42 -1.08 -1.26 -4.44 116.67 104.73 3mbe s ASP 129 Ca -0.06 0.35 0.37 0.00 -0.52 0.00 0.00 52.55 52.69 3mbe s ASP 129 Cb 0.10 0.24 1.68 0.00 -1.46 0.00 0.00 42.92 43.47 3mbe s ASP 129 CO 0.85 -0.15 2.10 -0.07 0.52 0.00 0.00 175.17 178.42 3mbe h LEU 130 N 7.20 0.00 -0.78 -1.34 3.38 -1.97 -3.12 115.31 118.68 3mbe h LEU 130 Ca -0.42 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.72 3mbe h LEU 130 Cb 1.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 3mbe h LEU 130 CO 0.41 0.00 0.26 0.03 0.09 0.00 0.00 178.44 179.23 3mbe h ARG 131 N 0.00 0.33 0.00 1.13 3.08 -1.98 -2.14 114.38 114.80 3mbe h ARG 131 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3mbe h ARG 131 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3mbe h ARG 131 CO 0.00 0.22 0.00 0.09 -1.07 0.00 0.00 179.97 179.21 3mbe n ASN 132 N -5.09 0.03 -4.71 7.04 3.02 -1.18 -4.68 115.26 109.68 3mbe n ASN 132 Ca 0.16 0.51 -0.42 0.00 -0.03 0.00 0.00 54.58 54.80 3mbe n ASN 132 Cb 0.50 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 3mbe n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mbe s VAL 133 N -3.02 3.55 -0.20 2.41 1.01 -0.81 -4.66 120.40 118.68 3mbe s VAL 133 Ca 0.02 1.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.93 3mbe s VAL 133 Cb 0.03 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.77 3mbe s VAL 133 CO 0.09 0.07 0.51 0.28 0.00 0.00 0.00 175.10 176.05 3mbe s THR 134 N 1.37 -0.01 1.22 3.92 -1.32 -0.87 -4.77 115.64 115.18 3mbe s THR 134 Ca 0.63 0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 61.00 3mbe s THR 134 Cb -0.34 -0.73 0.30 0.00 -1.51 0.00 0.00 72.50 70.22 3mbe s THR 134 CO 0.29 0.01 1.01 -2.84 -2.21 0.00 0.00 174.62 170.88 3mbe s PRO 135 N 0.78 -1.32 0.61 7.08 0.02 -1.26 -1.09 135.00 139.81 3mbe s PRO 135 Ca -0.04 0.70 -0.03 0.00 0.02 0.00 0.00 61.00 61.65 3mbe s PRO 135 Cb -0.05 -1.52 0.04 0.00 0.02 0.00 0.00 34.50 32.99 3mbe s PRO 135 CO -0.06 -3.96 0.88 -1.25 -0.33 0.00 0.00 177.00 172.28 3mbe s PRO 136 N -4.54 2.50 -0.41 5.54 0.05 -1.26 -3.95 135.00 132.93 3mbe s PRO 136 Ca 0.69 -0.45 -0.07 0.00 0.05 0.00 0.00 61.00 61.21 3mbe s PRO 136 Cb -0.23 -2.34 0.09 0.00 0.05 0.00 0.00 34.50 32.06 3mbe s PRO 136 CO 0.64 -0.88 0.23 0.15 0.05 0.00 0.00 177.00 177.19 3mbe s LYS 137 N -4.96 2.42 -0.43 4.56 -0.14 0.21 -4.90 119.74 116.50 3mbe s LYS 137 Ca 0.57 -1.58 -0.21 0.00 -1.36 0.00 0.00 55.97 53.39 3mbe s LYS 137 Cb -0.10 -3.70 0.02 0.00 -1.68 0.00 0.00 37.83 32.37 3mbe s LYS 137 CO 0.42 -0.99 0.67 0.08 -0.76 0.00 0.00 175.35 174.77 3mbe s VAL 138 N 1.33 4.80 -0.14 3.17 1.01 -1.26 -2.50 120.40 126.81 3mbe s VAL 138 Ca 0.04 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.29 3mbe s VAL 138 Cb -0.23 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.94 3mbe s VAL 138 CO -0.00 -0.58 -0.19 -0.94 0.00 0.00 0.00 175.10 173.38 3mbe s SER 139 N 2.00 3.35 -0.26 3.32 1.04 -0.66 -4.63 113.70 117.86 3mbe s SER 139 Ca 0.24 -0.54 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 3mbe s SER 139 Cb -0.14 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 3mbe s SER 139 CO 0.19 0.09 0.31 -0.22 0.98 0.00 0.00 173.24 174.60 3mbe s LEU 140 N 0.77 4.05 -0.33 2.42 2.96 -1.26 -1.97 118.68 125.32 3mbe s LEU 140 Ca -0.07 0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 3mbe s LEU 140 Cb -0.16 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 3mbe s LEU 140 CO -0.00 -0.12 0.46 -0.36 -1.32 0.00 0.00 176.35 175.00 3mbe s PHE 141 N 1.84 3.20 0.74 5.38 0.40 -0.30 -4.99 117.98 124.26 3mbe s PHE 141 Ca 0.13 0.21 -0.14 0.00 -0.60 0.00 0.00 56.93 56.53 3mbe s PHE 141 Cb -0.16 -2.79 0.04 0.00 0.51 0.00 0.00 43.02 40.62 3mbe s PHE 141 CO 0.10 -0.44 1.15 -1.21 0.70 0.00 0.00 175.22 175.52 3mbe s GLU 142 N 2.25 2.22 1.15 0.44 2.02 -1.26 -2.55 118.70 122.97 3mbe s GLU 142 Ca 0.17 1.54 -0.13 0.00 0.02 0.00 0.00 54.97 56.58 3mbe s GLU 142 Cb -0.16 -1.86 0.28 0.00 0.10 0.00 0.00 34.13 32.49 3mbe s GLU 142 CO 0.12 -1.73 1.03 -2.14 0.02 0.00 0.00 175.26 172.56 3mbe s PRO 143 N -4.18 -0.85 -0.20 0.39 0.02 -1.25 -4.89 135.00 124.04 3mbe s PRO 143 Ca 0.69 0.85 -0.12 0.00 0.02 0.00 0.00 61.00 62.44 3mbe s PRO 143 Cb -0.24 -1.56 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 3mbe s PRO 143 CO 0.47 -3.68 0.24 0.45 -0.33 0.00 0.00 177.00 174.15 3mbe s SER 144 N -2.56 6.29 0.17 2.53 0.15 -1.26 -4.96 113.70 114.06 3mbe s SER 144 Ca 0.68 0.32 0.15 0.00 0.70 0.00 0.00 55.95 57.81 3mbe s SER 144 Cb -0.25 -2.15 0.72 0.00 -1.71 0.00 0.00 66.02 62.63 3mbe s SER 144 CO 0.64 0.07 1.45 0.29 1.20 0.00 0.00 173.24 176.89 3mbe n LYS 145 N 3.98 0.09 0.16 5.44 5.02 -1.26 -1.97 118.16 129.61 3mbe n LYS 145 Ca -0.13 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.57 3mbe n LYS 145 Cb 0.52 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 3mbe n LYS 145 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mbe h ALA 146 N 2.12 -0.47 -0.35 7.82 0.00 -1.99 -2.87 119.26 123.52 3mbe h ALA 146 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3mbe h ALA 146 Cb 0.11 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3mbe h ALA 146 CO 0.00 -0.47 -0.14 1.49 0.00 0.00 0.00 179.25 180.12 3mbe h GLU 147 N -1.05 -0.07 -0.90 0.00 4.81 -1.72 0.40 114.58 116.05 3mbe h GLU 147 Ca -0.05 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3mbe h GLU 147 Cb 0.47 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.78 3mbe h GLU 147 CO 0.08 -0.05 0.52 0.82 -0.73 0.00 0.00 179.01 179.65 3mbe h ILE 148 N -0.08 0.87 0.11 2.32 2.04 -1.59 0.38 117.51 121.56 3mbe h ILE 148 Ca 0.18 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3mbe h ILE 148 Cb 0.35 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3mbe h ILE 148 CO -0.41 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 177.84 3mbe h ALA 149 N 1.51 -0.15 -0.19 1.87 0.00 -0.96 -1.74 119.26 119.61 3mbe h ALA 149 Ca 0.45 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3mbe h ALA 149 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3mbe h ALA 149 CO -0.28 -0.19 -0.35 -0.91 0.00 0.00 0.00 179.25 177.52 3mbe h ASN 150 N -0.94 0.41 0.00 0.00 2.35 -0.11 -3.35 115.58 113.95 3mbe h ASN 150 Ca -0.02 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3mbe h ASN 150 Cb 0.49 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3mbe h ASN 150 CO 0.02 0.73 -0.49 0.29 -1.65 0.00 0.00 177.43 176.33 3mbe n LYS 151 N -4.07 3.68 -2.32 0.81 5.02 0.13 -5.02 118.16 116.40 3mbe n LYS 151 Ca -0.01 -0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 3mbe n LYS 151 Cb 0.46 -0.76 -0.01 0.00 -0.02 0.00 0.00 35.03 34.70 3mbe n LYS 151 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3mbe n GLN 152 N -1.25 -1.34 -3.76 1.97 3.00 -0.65 -4.98 117.38 110.37 3mbe n GLN 152 Ca 0.00 0.80 -0.14 0.00 -0.01 0.00 0.00 57.00 57.65 3mbe n GLN 152 Cb 0.02 -5.22 -0.15 0.00 0.00 0.00 0.00 30.24 24.89 3mbe n GLN 152 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3mbe s LYS 153 N -4.83 0.04 -0.22 -1.09 1.02 -1.26 -0.91 119.74 112.49 3mbe s LYS 153 Ca 0.00 0.28 -0.13 0.00 0.02 0.00 0.00 55.97 56.15 3mbe s LYS 153 Cb -0.00 -0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.07 3mbe s LYS 153 CO 0.00 -0.16 0.26 0.00 -0.92 0.00 0.00 175.35 174.53 3mbe s ALA 154 N 1.06 3.59 -0.20 5.17 0.00 0.11 -3.79 121.76 127.71 3mbe s ALA 154 Ca -0.08 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 3mbe s ALA 154 Cb -0.11 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 3mbe s ALA 154 CO -0.04 -0.22 0.07 0.99 0.00 0.00 0.00 175.76 176.56 3mbe s THR 155 N 1.12 4.68 0.12 0.00 2.01 -1.26 -1.41 115.64 120.89 3mbe s THR 155 Ca 0.12 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.09 3mbe s THR 155 Cb -0.14 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3mbe s THR 155 CO 0.06 0.42 0.14 -0.76 -0.69 0.00 0.00 174.62 173.79 3mbe s LEU 156 N 0.74 3.93 -0.08 4.42 1.02 -0.49 -3.82 118.68 124.40 3mbe s LEU 156 Ca 0.04 -0.00 -0.01 0.00 0.02 0.00 0.00 54.13 54.17 3mbe s LEU 156 Cb -0.13 -2.56 0.03 0.00 0.02 0.00 0.00 46.19 43.55 3mbe s LEU 156 CO 0.02 0.12 -0.01 -0.69 0.02 0.00 0.00 176.35 175.80 3mbe s VAL 157 N -1.58 0.49 -0.14 -1.59 1.01 -1.06 -2.08 120.40 115.45 3mbe s VAL 157 Ca 0.31 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 3mbe s VAL 157 Cb -0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 3mbe s VAL 157 CO 0.24 0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.85 3mbe s LEU 159 N -0.04 1.71 -0.23 0.00 2.96 -0.83 -1.61 118.68 120.63 3mbe s LEU 159 Ca 0.15 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3mbe s LEU 159 Cb -0.13 -0.83 0.05 0.00 0.50 0.00 0.00 46.19 45.79 3mbe s LEU 159 CO 0.03 0.06 -0.11 0.00 -1.32 0.00 0.00 176.35 175.01 3mbe s ALA 160 N 0.50 2.30 0.20 5.97 0.00 -0.37 -1.65 121.76 128.71 3mbe s ALA 160 Ca -0.12 -1.49 0.11 0.00 0.00 0.00 0.00 51.96 50.47 3mbe s ALA 160 Cb -0.14 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 3mbe s ALA 160 CO 0.03 -1.00 -0.23 1.03 0.00 0.00 0.00 175.76 175.59 3mbe s ARG 161 N 1.25 1.56 -0.46 0.00 0.52 -1.04 -1.93 118.95 118.85 3mbe s ARG 161 Ca -0.05 -1.55 -0.01 0.00 -0.52 0.00 0.00 55.73 53.60 3mbe s ARG 161 Cb -0.18 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.45 3mbe s ARG 161 CO -0.07 0.39 0.16 0.41 0.02 0.00 0.00 175.30 176.21 3mbe n GLY 162 N 0.14 0.32 3.69 -3.53 0.00 -0.86 -0.62 105.19 104.33 3mbe n GLY 162 Ca -0.11 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 3mbe n GLY 162 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mbe s PHE 163 N -2.68 2.77 -0.27 1.61 -0.12 -1.23 -4.58 117.98 113.49 3mbe s PHE 163 Ca 0.08 -0.23 -0.14 0.00 -0.05 0.00 0.00 56.93 56.59 3mbe s PHE 163 Cb -0.04 -1.32 0.08 0.00 -0.63 0.00 0.00 43.02 41.12 3mbe s PHE 163 CO 0.10 0.55 0.64 0.12 -0.05 0.00 0.00 175.22 176.58 3mbe s PHE 164 N -2.31 -1.03 0.41 3.49 5.36 -0.25 -1.57 117.98 122.08 3mbe s PHE 164 Ca 0.33 2.04 0.08 0.00 -0.96 0.00 0.00 56.93 58.41 3mbe s PHE 164 Cb -0.06 0.60 0.00 0.00 -0.34 0.00 0.00 43.02 43.23 3mbe s PHE 164 CO 0.21 -0.52 0.53 -1.25 -1.46 0.00 0.00 175.22 172.74 3mbe s PRO 165 N 1.76 2.82 0.00 10.12 0.05 -1.26 -2.05 135.00 146.44 3mbe s PRO 165 Ca -0.09 -1.25 0.00 0.00 0.05 0.00 0.00 61.00 59.70 3mbe s PRO 165 Cb -0.06 -2.72 0.00 0.00 0.05 0.00 0.00 34.50 31.77 3mbe s PRO 165 CO -0.19 -0.22 0.00 -0.40 0.05 0.00 0.00 177.00 176.24 3mbe n ASP 166 N -1.79 0.00 -4.02 6.66 5.75 -1.26 -4.53 116.55 117.36 3mbe n ASP 166 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.53 3mbe n ASP 166 Cb 0.59 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.54 3mbe n ASP 166 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3mbe s HIS 167 N -0.15 3.64 0.18 2.11 2.46 -1.26 -4.80 115.29 117.47 3mbe s HIS 167 Ca 0.00 -2.95 -0.06 0.00 0.47 0.00 0.00 55.06 52.51 3mbe s HIS 167 Cb 0.00 -2.96 -0.02 0.00 -0.13 0.00 0.00 32.58 29.47 3mbe s HIS 167 CO 0.00 -0.91 0.24 0.14 -2.47 0.00 0.00 174.74 171.73 3mbe s VAL 168 N 0.70 0.05 -0.04 0.89 -7.23 -1.26 -2.82 120.40 110.69 3mbe s VAL 168 Ca 0.12 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3mbe s VAL 168 Cb -0.21 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.70 3mbe s VAL 168 CO -0.06 -0.23 0.05 -1.61 -0.31 0.00 0.00 175.10 172.94 3mbe s GLU 169 N -4.03 0.01 -0.12 4.82 8.01 -1.08 -4.92 118.70 121.39 3mbe s GLU 169 Ca 0.23 0.32 -0.03 0.00 0.01 0.00 0.00 54.97 55.51 3mbe s GLU 169 Cb 0.04 -0.53 -0.03 0.00 -4.31 0.00 0.00 34.13 29.30 3mbe s GLU 169 CO 0.04 -0.30 -0.01 -1.17 0.01 0.00 0.00 175.26 173.83 3mbe s LEU 170 N 2.00 3.48 0.04 1.80 0.20 -1.26 -0.74 118.68 124.20 3mbe s LEU 170 Ca 0.03 0.04 -0.12 0.00 0.69 0.00 0.00 54.13 54.77 3mbe s LEU 170 Cb -0.12 -1.82 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 3mbe s LEU 170 CO -0.03 0.28 0.26 -0.94 -0.29 0.00 0.00 176.35 175.63 3mbe s SER 171 N -0.31 -0.06 -0.07 3.68 1.04 0.10 -4.97 113.70 113.11 3mbe s SER 171 Ca 0.06 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.29 3mbe s SER 171 Cb -0.12 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 3mbe s SER 171 CO 0.02 -0.58 -0.22 0.26 0.98 0.00 0.00 173.24 173.70 3mbe s TRP 172 N -2.47 2.54 -0.46 5.02 0.52 -1.26 0.39 118.94 123.22 3mbe s TRP 172 Ca -0.06 -0.72 0.03 0.00 0.02 0.00 0.00 56.10 55.37 3mbe s TRP 172 Cb -0.01 -1.66 0.14 0.00 -1.15 0.00 0.00 33.47 30.80 3mbe s TRP 172 CO -0.03 -0.21 0.28 -1.58 0.02 0.00 0.00 176.95 175.43 3mbe s TRP 173 N -0.06 1.96 -0.50 -1.98 0.52 -0.06 -1.06 118.94 117.76 3mbe s TRP 173 Ca -0.06 -2.46 -0.27 0.00 0.02 0.00 0.00 56.10 53.33 3mbe s TRP 173 Cb -0.15 -1.78 0.03 0.00 -1.15 0.00 0.00 33.47 30.42 3mbe s TRP 173 CO 0.05 -0.76 1.03 0.08 0.02 0.00 0.00 176.95 177.37 3mbe s VAL 174 N 0.15 4.30 -0.71 4.03 1.01 -0.98 -2.71 120.40 125.49 3mbe s VAL 174 Ca 0.21 0.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 3mbe s VAL 174 Cb -0.18 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.65 3mbe s VAL 174 CO -0.04 -1.02 0.60 0.59 0.00 0.00 0.00 175.10 175.23 3mbe n ASN 175 N 7.63 -2.81 0.00 3.32 3.02 0.19 -3.23 115.26 123.38 3mbe n ASN 175 Ca 0.07 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3mbe n ASN 175 Cb 0.49 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 3mbe n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mbe n GLY 176 N -1.17 1.52 3.55 7.41 0.00 -1.25 -4.96 105.19 110.29 3mbe n GLY 176 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3mbe n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mbe s LYS 177 N 0.00 3.78 0.68 1.61 1.02 -1.20 -5.03 119.74 120.60 3mbe s LYS 177 Ca 0.00 -0.45 -0.17 0.00 0.02 0.00 0.00 55.97 55.37 3mbe s LYS 177 Cb 0.00 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.27 3mbe s LYS 177 CO 0.00 0.24 1.27 -1.91 -0.92 0.00 0.00 175.35 174.03 3mbe n GLU 178 N 3.59 0.95 -4.01 1.68 2.13 -1.26 -2.33 120.64 121.39 3mbe n GLU 178 Ca -0.17 0.38 -0.11 0.00 0.66 0.00 0.00 57.16 57.93 3mbe n GLU 178 Cb 0.52 -2.51 -0.12 0.00 0.27 0.00 0.00 31.44 29.60 3mbe n GLU 178 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3mbe s VAL 179 N -1.51 0.25 0.00 6.31 -7.23 -0.23 -4.86 120.40 113.13 3mbe s VAL 179 Ca 0.81 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 3mbe s VAL 179 Cb -0.37 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.22 3mbe s VAL 179 CO 0.42 -0.39 0.00 1.41 -0.31 0.00 0.00 175.10 176.24 3mbe n HIS 180 N 1.76 0.00 -2.91 2.82 -0.00 -1.26 -4.48 115.22 111.15 3mbe n HIS 180 Ca -0.22 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.08 3mbe n HIS 180 Cb 0.55 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.50 3mbe n HIS 180 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3mbe s SER 181 N -0.59 6.57 0.00 0.41 0.15 -1.26 -3.73 113.70 115.25 3mbe s SER 181 Ca 0.00 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3mbe s SER 181 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3mbe s SER 181 CO 0.00 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.25 3mbe n GLY 182 N 4.54 0.74 3.64 9.45 0.00 -1.26 -4.84 105.19 117.46 3mbe n GLY 182 Ca 0.04 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 3mbe n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mbe s VAL 183 N -2.00 3.61 -0.29 1.61 1.01 -1.24 -1.09 120.40 122.00 3mbe s VAL 183 Ca 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 61.98 60.55 3mbe s VAL 183 Cb 0.00 -2.81 0.20 0.00 0.00 0.00 0.00 36.38 33.76 3mbe s VAL 183 CO 0.00 -0.12 0.57 0.00 0.00 0.00 0.00 175.10 175.55 3mbe s THR 185 N 2.80 4.95 -0.02 0.00 -4.23 -1.26 -2.74 115.64 115.14 3mbe s THR 185 Ca 0.10 0.12 -0.28 0.00 -1.18 0.00 0.00 61.69 60.45 3mbe s THR 185 Cb -0.10 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 3mbe s THR 185 CO -0.26 -0.60 0.90 -1.81 -0.54 0.00 0.00 174.62 172.30 3mbe s ASP 186 N -3.68 7.25 0.43 3.99 1.01 -0.95 -4.95 116.67 119.77 3mbe s ASP 186 Ca 0.46 1.52 0.10 0.00 0.71 0.00 0.00 52.55 55.34 3mbe s ASP 186 Cb -0.10 -2.52 0.95 0.00 1.01 0.00 0.00 42.92 42.26 3mbe s ASP 186 CO 0.37 -0.23 2.06 -0.65 0.21 0.00 0.00 175.17 176.93 3mbe h PRO 187 N 6.80 0.34 -5.65 8.23 0.11 -1.96 -3.44 132.00 136.43 3mbe h PRO 187 Ca -0.41 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.18 3mbe h PRO 187 Cb 1.21 -0.07 -0.24 0.00 0.11 0.00 0.00 31.00 32.01 3mbe h PRO 187 CO 0.75 0.27 -0.81 -0.65 -0.21 0.00 0.00 178.00 177.36 3mbe s GLN 188 N -5.24 1.05 0.45 1.05 -1.52 -1.26 -5.13 119.66 109.05 3mbe s GLN 188 Ca -0.07 -0.91 -0.22 0.00 -1.95 0.00 0.00 55.36 52.21 3mbe s GLN 188 Cb 0.17 -1.13 -0.08 0.00 -0.22 0.00 0.00 33.01 31.75 3mbe s GLN 188 CO 0.72 0.27 1.07 0.00 -0.25 0.00 0.00 175.29 177.10 3mbe s ALA 189 N -0.98 2.97 -0.48 6.09 0.00 -1.26 -4.88 121.76 123.23 3mbe s ALA 189 Ca 0.03 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 3mbe s ALA 189 Cb -0.09 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 19.87 3mbe s ALA 189 CO 0.02 -0.36 0.27 0.71 0.00 0.00 0.00 175.76 176.40 3mbe s TYR 190 N -1.74 3.52 0.00 0.00 2.02 0.28 -4.89 117.35 116.54 3mbe s TYR 190 Ca 0.63 -2.59 -0.32 0.00 -0.37 0.00 0.00 57.07 54.42 3mbe s TYR 190 Cb -0.22 -3.18 -0.11 0.00 -0.40 0.00 0.00 41.96 38.06 3mbe s TYR 190 CO 0.26 -0.92 1.89 1.17 -1.57 0.00 0.00 175.55 176.39 3mbe n LYS 191 N 4.15 2.53 -0.07 -0.62 4.81 -1.26 -2.70 118.16 125.00 3mbe n LYS 191 Ca 0.02 0.93 -0.14 0.00 -0.87 0.00 0.00 58.31 58.24 3mbe n LYS 191 Cb 0.40 -2.82 -0.05 0.00 0.02 0.00 0.00 35.03 32.58 3mbe n LYS 191 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3mbe n GLU 192 N 6.66 0.31 -3.65 1.64 0.28 -0.73 -4.98 120.64 120.16 3mbe n GLU 192 Ca 0.21 0.12 -0.20 0.00 -0.16 0.00 0.00 57.16 57.12 3mbe n GLU 192 Cb 0.35 -1.08 -0.02 0.00 1.43 0.00 0.00 31.44 32.12 3mbe n GLU 192 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3mbe s SER 193 N -6.03 5.51 0.40 -1.84 0.01 -0.85 -4.98 113.70 105.91 3mbe s SER 193 Ca -0.20 -0.41 0.11 0.00 1.31 0.00 0.00 55.95 56.76 3mbe s SER 193 Cb 0.07 -1.01 0.91 0.00 0.21 0.00 0.00 66.02 66.19 3mbe s SER 193 CO 0.27 -0.42 1.94 -1.13 0.41 0.00 0.00 173.24 174.31 3mbe h ASN 194 N 1.09 0.52 -0.73 2.44 -0.73 -2.03 -2.88 115.58 113.26 3mbe h ASN 194 Ca -0.45 0.02 -0.39 0.00 1.87 0.00 0.00 56.30 57.35 3mbe h ASN 194 Cb 1.26 -0.09 -0.41 0.00 0.27 0.00 0.00 38.32 39.34 3mbe h ASN 194 CO 0.56 0.30 -1.00 -1.22 -0.37 0.00 0.00 177.43 175.70 3mbe n TYR 195 N -4.49 1.94 -3.69 0.67 4.02 -1.26 -5.03 117.16 109.31 3mbe n TYR 195 Ca 0.12 -2.37 -0.10 0.00 -0.01 0.00 0.00 57.90 55.55 3mbe n TYR 195 Cb 0.38 -0.27 -0.11 0.00 -0.02 0.00 0.00 39.34 39.32 3mbe n TYR 195 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3mbe s SER 196 N -3.61 -0.51 0.41 7.72 0.15 -1.09 -4.57 113.70 112.19 3mbe s SER 196 Ca 0.37 0.93 0.07 0.00 0.70 0.00 0.00 55.95 58.02 3mbe s SER 196 Cb 0.38 0.85 -0.06 0.00 -1.71 0.00 0.00 66.02 65.47 3mbe s SER 196 CO -0.02 -0.20 0.14 -0.31 1.20 0.00 0.00 173.24 174.05 3mbe s TYR 197 N 1.51 2.59 0.00 3.44 1.51 -0.61 -1.78 117.35 124.02 3mbe s TYR 197 Ca -0.09 -0.59 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 3mbe s TYR 197 Cb -0.09 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 3mbe s TYR 197 CO -0.13 0.25 0.03 -1.12 -1.11 0.00 0.00 175.55 173.47 3mbe s SER 198 N -3.86 0.11 -0.18 2.29 0.01 -1.10 -2.03 113.70 108.95 3mbe s SER 198 Ca 0.40 -0.25 -0.11 0.00 1.31 0.00 0.00 55.95 57.29 3mbe s SER 198 Cb 0.05 0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.46 3mbe s SER 198 CO 0.21 -0.23 0.44 -0.22 0.41 0.00 0.00 173.24 173.86 3mbe s LEU 199 N -0.98 -0.13 0.00 2.44 2.96 -0.81 -0.56 118.68 121.60 3mbe s LEU 199 Ca -0.11 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.78 3mbe s LEU 199 Cb -0.06 1.48 0.02 0.00 0.50 0.00 0.00 46.19 48.12 3mbe s LEU 199 CO -0.00 -0.19 0.16 -1.54 -1.32 0.00 0.00 176.35 173.46 3mbe n SER 200 N 4.09 2.58 -3.60 3.68 3.41 -1.26 -1.24 113.62 121.28 3mbe n SER 200 Ca -0.22 -2.45 0.01 0.00 -0.26 0.00 0.00 58.87 55.95 3mbe n SER 200 Cb 0.56 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 3mbe n SER 200 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3mbe s SER 201 N -3.17 -0.00 -0.09 4.04 0.15 -0.63 -2.25 113.70 111.75 3mbe s SER 201 Ca 0.12 -0.00 -0.28 0.00 0.70 0.00 0.00 55.95 56.49 3mbe s SER 201 Cb -0.01 0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.37 3mbe s SER 201 CO 0.08 -0.01 0.66 0.00 1.20 0.00 0.00 173.24 175.17 3mbe s ARG 202 N -2.02 0.98 0.11 5.44 1.70 -1.11 -1.11 118.95 122.94 3mbe s ARG 202 Ca 0.13 0.38 0.08 0.00 -0.47 0.00 0.00 55.73 55.85 3mbe s ARG 202 Cb 0.04 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 3mbe s ARG 202 CO -0.05 -0.27 -0.20 -1.17 -1.08 0.00 0.00 175.30 172.53 3mbe s LEU 203 N -0.87 2.32 -0.05 -1.89 2.96 -0.88 -1.29 118.68 118.97 3mbe s LEU 203 Ca -0.09 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 3mbe s LEU 203 Cb -0.01 -0.87 0.02 0.00 0.50 0.00 0.00 46.19 45.83 3mbe s LEU 203 CO 0.08 0.04 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.52 3mbe s ARG 204 N -2.01 0.80 0.06 1.98 3.52 -0.25 -1.39 118.95 121.64 3mbe s ARG 204 Ca 0.07 -0.06 0.06 0.00 -0.13 0.00 0.00 55.73 55.67 3mbe s ARG 204 Cb -0.09 -0.90 -0.03 0.00 -1.56 0.00 0.00 34.95 32.37 3mbe s ARG 204 CO 0.04 -0.14 -0.16 0.08 -0.81 0.00 0.00 175.30 174.31 3mbe s VAL 205 N 1.20 1.25 0.31 7.11 1.01 -0.50 -4.79 120.40 125.98 3mbe s VAL 205 Ca -0.07 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.46 3mbe s VAL 205 Cb -0.14 -1.14 -0.13 0.00 0.00 0.00 0.00 36.38 34.97 3mbe s VAL 205 CO -0.02 -0.05 1.14 -1.54 0.00 0.00 0.00 175.10 174.64 3mbe n SER 206 N 1.62 1.94 -0.29 3.32 3.41 -1.26 0.08 113.62 122.44 3mbe n SER 206 Ca -0.19 1.19 0.04 0.00 -0.26 0.00 0.00 58.87 59.65 3mbe n SER 206 Cb 0.54 -1.37 0.18 0.00 -0.26 0.00 0.00 64.21 63.30 3mbe n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mbe h ALA 207 N 2.31 1.18 -0.97 7.33 0.00 -1.34 -0.39 119.26 127.39 3mbe h ALA 207 Ca -0.42 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.65 3mbe h ALA 207 Cb 1.32 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 3mbe h ALA 207 CO 0.62 0.05 0.62 1.79 0.00 0.00 0.00 179.25 182.33 3mbe h THR 208 N 0.74 0.93 -0.25 0.00 1.35 -1.89 -1.22 112.91 112.57 3mbe h THR 208 Ca 0.41 -0.33 -0.17 0.00 -0.55 0.00 0.00 66.41 65.77 3mbe h THR 208 Cb 0.42 -0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 66.73 3mbe h THR 208 CO -0.27 0.17 -0.51 0.15 -0.25 0.00 0.00 175.52 174.81 3mbe h PHE 209 N 0.95 0.88 0.00 4.73 3.57 -1.44 -3.03 116.94 122.61 3mbe h PHE 209 Ca 0.47 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3mbe h PHE 209 Cb 0.48 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3mbe h PHE 209 CO -0.00 1.07 0.00 2.35 -2.23 0.00 0.00 178.31 179.50 3mbe h TRP 210 N 0.56 0.00 0.00 0.41 2.91 -0.58 -3.02 115.95 116.22 3mbe h TRP 210 Ca 0.02 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.86 3mbe h TRP 210 Cb 1.07 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.69 3mbe h TRP 210 CO 0.06 0.00 -1.26 0.45 -1.03 0.00 0.00 178.44 176.66 3mbe h HIS 211 N 0.00 0.00 -2.11 2.65 3.86 -1.31 -2.54 115.15 115.70 3mbe h HIS 211 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 3mbe h HIS 211 Cb 0.33 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 3mbe h HIS 211 CO 0.00 0.66 1.44 1.21 0.86 0.00 0.00 177.93 182.10 3mbe s ASN 212 N -6.03 5.63 0.00 2.45 3.84 -1.14 -3.01 114.94 116.67 3mbe s ASN 212 Ca -0.02 1.93 0.18 0.00 0.21 0.00 0.00 52.86 55.17 3mbe s ASN 212 Cb 0.08 -2.51 1.06 0.00 -0.55 0.00 0.00 41.25 39.33 3mbe s ASN 212 CO 0.80 -1.82 1.48 -2.65 -2.79 0.00 0.00 177.10 172.12 3mbe n PRO 213 N 8.56 0.63 0.13 0.43 -0.02 -1.26 -1.89 135.00 141.59 3mbe n PRO 213 Ca 0.28 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3mbe n PRO 213 Cb 0.45 -1.44 0.05 0.00 -0.02 0.00 0.00 33.50 32.54 3mbe n PRO 213 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3mbe h ARG 214 N 0.00 0.00 -6.43 -0.52 2.43 -1.87 -3.40 114.38 104.59 3mbe h ARG 214 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 3mbe h ARG 214 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3mbe h ARG 214 CO 0.00 0.00 0.19 -0.80 -1.51 0.00 0.00 179.97 177.85 3mbe s ASN 215 N -5.54 7.32 -0.04 -3.80 0.01 -0.79 -4.99 114.94 107.12 3mbe s ASN 215 Ca 0.02 1.57 0.05 0.00 -0.71 0.00 0.00 52.86 53.79 3mbe s ASN 215 Cb 0.09 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3mbe s ASN 215 CO 0.76 0.10 -0.20 -2.28 -1.51 0.00 0.00 177.10 173.97 3mbe s HIS 216 N -0.55 1.90 -0.18 2.20 5.65 -1.26 -2.32 115.29 120.72 3mbe s HIS 216 Ca 0.38 -0.49 0.01 0.00 0.25 0.00 0.00 55.06 55.20 3mbe s HIS 216 Cb -0.22 -1.25 0.03 0.00 -1.18 0.00 0.00 32.58 29.96 3mbe s HIS 216 CO 0.25 -0.14 -0.11 -0.06 -0.65 0.00 0.00 174.74 174.03 3mbe s PHE 217 N -0.16 2.29 -0.06 3.88 0.08 0.02 -0.64 117.98 123.39 3mbe s PHE 217 Ca -0.00 -1.43 0.04 0.00 0.12 0.00 0.00 56.93 55.65 3mbe s PHE 217 Cb -0.11 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3mbe s PHE 217 CO 0.02 -0.71 -0.17 0.50 -0.10 0.00 0.00 175.22 174.75 3mbe s ARG 218 N 1.44 2.08 -0.17 0.44 3.52 -1.10 -0.76 118.95 124.40 3mbe s ARG 218 Ca 0.01 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3mbe s ARG 218 Cb -0.15 -1.70 -0.03 0.00 -1.56 0.00 0.00 34.95 31.51 3mbe s ARG 218 CO -0.09 0.16 -0.03 0.00 -0.81 0.00 0.00 175.30 174.53 3mbe s GLN 220 N 0.54 2.85 -0.10 0.00 0.74 0.16 -2.80 119.66 121.05 3mbe s GLN 220 Ca -0.03 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.60 3mbe s GLN 220 Cb -0.14 -2.31 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 3mbe s GLN 220 CO 0.03 -0.01 -0.12 0.08 -0.55 0.00 0.00 175.29 174.71 3mbe s VAL 221 N 0.82 3.17 -0.43 1.34 1.01 -0.26 0.01 120.40 126.06 3mbe s VAL 221 Ca -0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3mbe s VAL 221 Cb -0.16 -2.30 0.12 0.00 0.00 0.00 0.00 36.38 34.04 3mbe s VAL 221 CO -0.01 0.55 0.22 -1.58 0.00 0.00 0.00 175.10 174.28 3mbe s GLN 222 N -0.09 2.02 0.43 2.72 0.74 0.08 -1.06 119.66 124.50 3mbe s GLN 222 Ca -0.01 -1.92 -0.24 0.00 0.05 0.00 0.00 55.36 53.24 3mbe s GLN 222 Cb -0.14 -3.57 -0.08 0.00 1.10 0.00 0.00 33.01 30.33 3mbe s GLN 222 CO 0.03 -1.08 1.17 0.12 -0.55 0.00 0.00 175.29 174.99 3mbe s PHE 223 N 0.97 2.96 -0.38 1.67 5.36 -0.70 -2.65 117.98 125.21 3mbe s PHE 223 Ca 0.10 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.60 3mbe s PHE 223 Cb -0.22 -3.39 0.11 0.00 -0.34 0.00 0.00 43.02 39.17 3mbe s PHE 223 CO -0.04 -1.44 0.15 -1.01 -1.46 0.00 0.00 175.22 171.42 3mbe s HIS 224 N -1.48 3.65 0.00 10.12 3.76 -1.13 -2.48 115.29 127.72 3mbe s HIS 224 Ca 0.61 -2.61 0.00 0.00 -0.15 0.00 0.00 55.06 52.91 3mbe s HIS 224 Cb -0.30 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.27 3mbe s HIS 224 CO 0.37 -0.96 0.00 0.41 -0.85 0.00 0.00 174.74 173.70 3mbe n GLY 225 N 4.48 4.00 3.92 -2.22 0.00 -1.25 -4.78 105.19 109.34 3mbe n GLY 225 Ca -0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 3mbe n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbe s LEU 226 N 0.00 2.79 0.40 0.99 1.43 -1.02 -4.63 118.68 118.64 3mbe s LEU 226 Ca 0.00 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 3mbe s LEU 226 Cb 0.00 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 3mbe s LEU 226 CO 0.00 -1.59 0.08 -0.55 0.23 0.00 0.00 176.35 174.52 3mbe s SER 227 N -4.49 2.99 0.30 2.29 0.15 -1.26 -3.72 113.70 109.95 3mbe s SER 227 Ca 0.60 -1.57 0.05 0.00 0.70 0.00 0.00 55.95 55.72 3mbe s SER 227 Cb -0.11 0.29 0.71 0.00 -1.71 0.00 0.00 66.02 65.20 3mbe s SER 227 CO 0.47 -0.80 1.76 -0.33 1.20 0.00 0.00 173.24 175.54 3mbe h GLU 228 N 1.80 0.68 0.00 5.44 3.07 -2.04 0.45 114.58 123.97 3mbe h GLU 228 Ca -0.39 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 3mbe h GLU 228 Cb 1.27 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3mbe h GLU 228 CO 0.65 0.45 0.13 1.49 -1.40 0.00 0.00 179.01 180.33 3mbe h GLU 229 N 0.70 0.00 -5.96 2.33 4.81 -2.04 -3.42 114.58 110.99 3mbe h GLU 229 Ca 0.56 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 59.21 3mbe h GLU 229 Cb 0.88 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.20 3mbe h GLU 229 CO -0.40 0.00 -0.11 -0.51 -0.73 0.00 0.00 179.01 177.26 3mbe s ASP 230 N -4.71 6.84 -0.01 1.04 1.11 0.16 -5.04 116.67 116.06 3mbe s ASP 230 Ca -0.04 1.00 -0.30 0.00 0.18 0.00 0.00 52.55 53.39 3mbe s ASP 230 Cb 0.10 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.76 3mbe s ASP 230 CO 0.33 0.15 0.99 -0.54 1.18 0.00 0.00 175.17 177.28 3mbe s LYS 231 N -0.27 4.54 -0.04 8.23 1.02 -1.26 -4.84 119.74 127.12 3mbe s LYS 231 Ca 0.27 1.42 0.01 0.00 0.02 0.00 0.00 55.97 57.70 3mbe s LYS 231 Cb -0.17 -3.47 0.02 0.00 -0.52 0.00 0.00 37.83 33.69 3mbe s LYS 231 CO 0.14 -0.08 -0.05 -0.46 -0.92 0.00 0.00 175.35 173.97 3mbe s TRP 232 N 1.12 0.77 0.24 3.18 -0.11 -1.26 -5.09 118.94 117.79 3mbe s TRP 232 Ca 0.52 -0.21 -0.03 0.00 1.22 0.00 0.00 56.10 57.59 3mbe s TRP 232 Cb -0.21 -0.66 0.05 0.00 -1.50 0.00 0.00 33.47 31.16 3mbe s TRP 232 CO 0.27 -0.17 0.12 -2.30 -4.62 0.00 0.00 176.95 170.25 3mbe n PRO 233 N 3.91 -1.02 -0.02 5.86 -0.02 -1.26 -4.98 135.00 137.47 3mbe n PRO 233 Ca -0.24 -0.20 -0.15 0.00 -2.02 0.00 0.00 63.50 60.88 3mbe n PRO 233 Cb 0.51 -0.34 -0.14 0.00 -0.02 0.00 0.00 33.50 33.51 3mbe n PRO 233 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mbe n GLU 234 N -1.62 0.69 0.00 -0.52 1.02 -1.26 -4.78 120.64 114.17 3mbe n GLU 234 Ca 0.02 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3mbe n GLU 234 Cb 0.08 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3mbe n GLU 234 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mbe n GLY 235 N 1.80 -1.51 3.72 0.62 0.00 -1.26 -4.89 105.19 103.66 3mbe n GLY 235 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3mbe n GLY 235 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mbe s SER 236 N -1.75 3.87 0.41 1.61 0.01 -1.26 -5.01 113.70 111.58 3mbe s SER 236 Ca 0.00 2.13 -0.24 0.00 1.31 0.00 0.00 55.95 59.15 3mbe s SER 236 Cb 0.00 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 3mbe s SER 236 CO 0.00 -2.47 1.10 -2.84 0.41 0.00 0.00 173.24 169.44 3mbe s PRO 237 N -4.45 4.06 0.29 12.44 0.02 -1.26 -4.88 135.00 141.21 3mbe s PRO 237 Ca 0.67 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 3mbe s PRO 237 Cb -0.23 -2.56 -0.10 0.00 0.02 0.00 0.00 34.50 31.63 3mbe s PRO 237 CO 0.52 -0.26 1.40 0.21 -0.33 0.00 0.00 177.00 178.54 3mbe s LYS 238 N -2.47 4.28 -0.15 5.54 2.20 -1.26 -4.91 119.74 122.96 3mbe s LYS 238 Ca 0.59 2.30 -0.06 0.00 -0.36 0.00 0.00 55.97 58.44 3mbe s LYS 238 Cb -0.26 -3.09 -0.19 0.00 -1.51 0.00 0.00 37.83 32.79 3mbe s LYS 238 CO 0.32 -0.36 3.42 -2.30 -0.36 0.00 0.00 175.35 176.08 3mbe n PRO 239 N 1.68 2.16 0.00 4.03 -0.02 -1.26 -4.97 135.00 136.62 3mbe n PRO 239 Ca 0.04 -1.33 0.00 0.00 -2.02 0.00 0.00 63.50 60.19 3mbe n PRO 239 Cb 0.41 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3mbe n PRO 239 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3mbe n VAL 240 N 2.19 0.00 -3.31 -1.45 0.24 -1.26 -2.44 118.33 112.30 3mbe n VAL 240 Ca 0.45 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.36 3mbe n VAL 240 Cb 0.82 -0.62 -0.08 0.00 -1.47 0.00 0.00 33.84 32.48 3mbe n VAL 240 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3mbe s THR 241 N -0.88 5.12 0.08 3.34 2.01 -1.24 -3.85 115.64 120.22 3mbe s THR 241 Ca 0.00 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.76 3mbe s THR 241 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3mbe s THR 241 CO 0.00 0.13 -0.05 0.00 -0.69 0.00 0.00 174.62 174.01 3mbe s GLN 242 N 2.11 0.75 -0.73 4.92 -2.07 -1.04 -4.94 119.66 118.67 3mbe s GLN 242 Ca 0.19 -1.28 -0.13 0.00 -1.82 0.00 0.00 55.36 52.32 3mbe s GLN 242 Cb -0.16 -0.06 0.19 0.00 -1.09 0.00 0.00 33.01 31.89 3mbe s GLN 242 CO 0.09 -0.05 0.65 -0.80 -1.32 0.00 0.00 175.29 173.87 3mbe s ASN 243 N -2.97 6.42 -0.02 12.60 0.01 -1.26 -1.71 114.94 128.01 3mbe s ASN 243 Ca 0.10 -2.48 -0.20 0.00 -0.71 0.00 0.00 52.86 49.57 3mbe s ASN 243 Cb 0.06 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 3mbe s ASN 243 CO -0.06 -0.62 0.58 -0.63 -1.51 0.00 0.00 177.10 174.86 3mbe s ILE 244 N 0.51 4.96 0.40 0.60 1.01 -0.23 -4.94 121.20 123.51 3mbe s ILE 244 Ca 0.14 1.20 0.04 0.00 0.00 0.00 0.00 60.65 62.03 3mbe s ILE 244 Cb -0.16 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3mbe s ILE 244 CO -0.05 0.40 0.13 -0.55 0.00 0.00 0.00 174.94 174.87 3mbe s SER 245 N -0.07 2.69 -0.30 3.58 0.15 -1.26 -1.10 113.70 117.39 3mbe s SER 245 Ca 0.30 -1.65 -0.16 0.00 0.70 0.00 0.00 55.95 55.14 3mbe s SER 245 Cb -0.18 0.46 0.18 0.00 -1.71 0.00 0.00 66.02 64.78 3mbe s SER 245 CO 0.16 -0.91 1.12 0.00 1.20 0.00 0.00 173.24 174.81 3mbe s ALA 246 N -3.24 -2.64 0.43 5.45 0.00 -1.12 -4.80 121.76 115.84 3mbe s ALA 246 Ca 0.25 2.04 0.04 0.00 0.00 0.00 0.00 51.96 54.29 3mbe s ALA 246 Cb 0.03 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 3mbe s ALA 246 CO 0.15 -0.53 0.15 -1.83 0.00 0.00 0.00 175.76 173.70 3mbe s GLU 247 N 1.53 2.01 -0.10 0.00 -1.05 -1.26 -1.86 118.70 117.97 3mbe s GLU 247 Ca -0.06 -2.24 -0.30 0.00 -0.15 0.00 0.00 54.97 52.21 3mbe s GLU 247 Cb -0.03 -0.54 0.12 0.00 -0.44 0.00 0.00 34.13 33.24 3mbe s GLU 247 CO -0.14 -0.55 1.00 0.00 0.95 0.00 0.00 175.26 176.52 3mbe s ALA 248 N -3.16 -1.92 0.53 -0.84 0.00 0.06 -4.96 121.76 111.47 3mbe s ALA 248 Ca 0.22 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.58 3mbe s ALA 248 Cb 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3mbe s ALA 248 CO 0.15 -0.52 0.37 -1.58 0.00 0.00 0.00 175.76 174.18 3mbe s TRP 249 N -2.23 1.70 0.50 0.00 0.52 -1.26 -0.80 118.94 117.37 3mbe s TRP 249 Ca 0.04 -0.83 -0.08 0.00 0.02 0.00 0.00 56.10 55.24 3mbe s TRP 249 Cb -0.01 -1.90 -0.05 0.00 -1.15 0.00 0.00 33.47 30.37 3mbe s TRP 249 CO -0.04 -0.40 0.85 0.20 0.02 0.00 0.00 176.95 177.58 3mbe s GLY 250 N -4.24 1.66 0.16 0.98 0.00 -0.98 -4.92 107.32 99.99 3mbe s GLY 250 Ca 0.33 -0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.51 3mbe s GLY 250 CO 0.20 -0.10 1.02 1.09 0.00 0.00 0.00 173.10 175.31 3mbe s ARG 251 N -4.63 1.21 0.00 2.90 1.70 -0.96 -4.15 118.95 115.03 3mbe s ARG 251 Ca 0.51 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 3mbe s ARG 251 Cb -0.10 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 3mbe s ARG 251 CO 0.44 -0.56 0.39 0.00 -1.08 0.00 0.00 175.30 174.48