#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 4.85 -0.05 0.00 1.01 -1.26 -3.24 120.40 121.71 3mbe s VAL 4 Ca 0.00 2.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 3mbe s VAL 4 Cb 0.00 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3mbe s VAL 4 CO 0.00 0.12 0.09 0.42 0.00 0.00 0.00 175.10 175.72 3mbe s THR 5 N 1.31 -0.13 0.36 3.92 -4.23 -0.55 -4.69 115.64 111.62 3mbe s THR 5 Ca 0.50 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.43 3mbe s THR 5 Cb -0.20 -0.18 -0.01 0.00 1.34 0.00 0.00 72.50 73.45 3mbe s THR 5 CO 0.25 0.14 0.46 -1.10 -0.54 0.00 0.00 174.62 173.83 3mbe s GLN 6 N 1.87 2.93 -0.29 3.99 -0.21 -1.26 -2.28 119.66 124.42 3mbe s GLN 6 Ca 0.00 -1.16 -0.25 0.00 0.02 0.00 0.00 55.36 53.97 3mbe s GLN 6 Cb -0.12 -2.71 0.16 0.00 1.00 0.00 0.00 33.01 31.34 3mbe s GLN 6 CO -0.04 -0.04 1.24 -1.54 -2.12 0.00 0.00 175.29 172.80 3mbe s SER 7 N -4.18 -0.24 0.55 5.90 1.04 -1.15 -4.45 113.70 111.17 3mbe s SER 7 Ca 0.47 0.46 -0.20 0.00 0.48 0.00 0.00 55.95 57.16 3mbe s SER 7 Cb -0.08 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 3mbe s SER 7 CO 0.31 -0.09 1.24 -2.16 0.98 0.00 0.00 173.24 173.51 3mbe s PRO 8 N 0.06 3.17 0.00 4.02 0.04 -1.26 -1.45 135.00 139.58 3mbe s PRO 8 Ca 0.05 1.92 0.29 0.00 0.04 0.00 0.00 61.00 63.30 3mbe s PRO 8 Cb -0.05 -2.10 1.51 0.00 0.04 0.00 0.00 34.50 33.90 3mbe s PRO 8 CO -0.11 -1.07 2.01 0.54 0.04 0.00 0.00 177.00 178.42 3mbe n ARG 9 N -1.23 0.50 -3.64 4.56 5.12 -1.26 -4.78 116.66 115.93 3mbe n ARG 9 Ca 0.12 0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 56.00 3mbe n ARG 9 Cb 0.48 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.22 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 -2.47 -0.18 -0.03 0.55 0.15 -1.26 -3.26 113.70 107.20 3mbe s SER 10 Ca 0.30 0.31 -0.16 0.00 0.70 0.00 0.00 55.95 57.11 3mbe s SER 10 Cb 0.19 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 3mbe s SER 10 CO 0.42 -0.08 0.34 -0.75 1.20 0.00 0.00 173.24 174.37 3mbe s LYS 11 N -0.17 0.66 -0.11 5.44 2.47 -0.61 -4.98 119.74 122.45 3mbe s LYS 11 Ca 0.06 -0.07 0.02 0.00 -1.56 0.00 0.00 55.97 54.42 3mbe s LYS 11 Cb -0.04 0.30 0.01 0.00 -1.46 0.00 0.00 37.83 36.64 3mbe s LYS 11 CO -0.11 -0.17 -0.16 0.08 0.16 0.00 0.00 175.35 175.15 3mbe s VAL 12 N -1.11 1.53 0.02 4.02 1.01 -1.26 -1.24 120.40 123.37 3mbe s VAL 12 Ca -0.12 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3mbe s VAL 12 Cb -0.05 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3mbe s VAL 12 CO 0.04 0.45 -0.07 0.00 0.00 0.00 0.00 175.10 175.52 3mbe s ALA 13 N 0.92 0.50 0.59 5.51 0.00 -0.18 -4.99 121.76 124.11 3mbe s ALA 13 Ca -0.08 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 3mbe s ALA 13 Cb -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3mbe s ALA 13 CO -0.01 0.04 1.19 0.08 0.00 0.00 0.00 175.76 177.06 3mbe s VAL 14 N -0.81 2.74 -0.04 0.00 1.01 -1.26 -0.97 120.40 121.08 3mbe s VAL 14 Ca -0.05 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 3mbe s VAL 14 Cb -0.06 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 3mbe s VAL 14 CO 0.00 -0.11 1.56 0.42 0.00 0.00 0.00 175.10 176.97 3mbe s THR 15 N -1.67 3.63 0.00 3.92 -4.23 0.66 -2.89 115.64 115.06 3mbe s THR 15 Ca 0.76 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 62.13 3mbe s THR 15 Cb -0.29 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.00 3mbe s THR 15 CO 0.32 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 3mbe n GLY 16 N 3.95 1.31 3.73 3.99 0.00 -0.41 -4.94 105.19 112.83 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 2.00 -0.49 -0.02 0.00 -1.14 -4.67 107.32 101.00 3mbe s GLY 17 Ca 0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 44.72 42.68 3mbe s GLY 17 CO 0.00 -1.78 0.53 1.25 0.00 0.00 0.00 173.10 173.09 3mbe s LYS 18 N -3.85 3.06 -0.06 2.90 2.20 -1.25 -1.05 119.74 121.69 3mbe s LYS 18 Ca 0.38 -1.09 -0.13 0.00 -0.36 0.00 0.00 55.97 54.77 3mbe s LYS 18 Cb -0.02 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.14 3mbe s LYS 18 CO 0.23 -1.14 0.34 0.08 -0.36 0.00 0.00 175.35 174.50 3mbe s VAL 19 N 2.20 5.18 -0.37 4.02 1.01 -0.97 -5.00 120.40 126.47 3mbe s VAL 19 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3mbe s VAL 19 Cb -0.21 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.65 3mbe s VAL 19 CO 0.10 0.53 0.20 -0.89 0.00 0.00 0.00 175.10 175.03 3mbe s THR 20 N -0.64 0.72 0.03 3.92 2.01 -1.26 -2.14 115.64 118.27 3mbe s THR 20 Ca 0.21 -1.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.00 3mbe s THR 20 Cb -0.15 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3mbe s THR 20 CO 0.10 -0.88 1.10 -0.76 -0.69 0.00 0.00 174.62 173.48 3mbe s LEU 21 N 0.97 4.36 0.26 4.42 1.43 -0.42 -4.70 118.68 125.00 3mbe s LEU 21 Ca 0.16 1.84 0.07 0.00 -1.03 0.00 0.00 54.13 55.18 3mbe s LEU 21 Cb -0.22 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 3mbe s LEU 21 CO -0.06 -0.38 0.17 -0.44 0.23 0.00 0.00 176.35 175.86 3mbe s SER 22 N 1.06 5.36 -0.00 2.29 0.01 -0.53 -0.46 113.70 121.42 3mbe s SER 22 Ca 0.55 -0.33 -0.09 0.00 1.31 0.00 0.00 55.95 57.40 3mbe s SER 22 Cb -0.25 -1.30 0.01 0.00 0.21 0.00 0.00 66.02 64.69 3mbe s SER 22 CO 0.28 -0.05 0.17 0.00 0.41 0.00 0.00 173.24 174.06 3mbe s HIS 24 N -1.32 -0.76 0.04 0.00 2.46 -0.96 -2.34 115.29 112.40 3mbe s HIS 24 Ca -0.14 1.51 0.07 0.00 0.47 0.00 0.00 55.06 56.97 3mbe s HIS 24 Cb -0.07 0.33 -0.02 0.00 -0.13 0.00 0.00 32.58 32.69 3mbe s HIS 24 CO 0.02 -0.44 -0.20 -1.14 -2.47 0.00 0.00 174.74 170.51 3mbe s GLN 25 N 2.07 1.38 -0.41 2.88 -0.44 0.00 -1.49 119.66 123.65 3mbe s GLN 25 Ca -0.06 -0.92 0.05 0.00 -2.50 0.00 0.00 55.36 51.94 3mbe s GLN 25 Cb -0.10 -1.48 0.43 0.00 -1.64 0.00 0.00 33.01 30.23 3mbe s GLN 25 CO -0.14 0.38 1.24 2.41 0.50 0.00 0.00 175.29 179.69 3mbe n THR 26 N 1.90 2.57 0.16 -0.34 -1.04 -1.20 -4.62 114.28 111.71 3mbe n THR 26 Ca -0.17 -4.51 0.05 0.00 -2.04 0.00 0.00 64.05 57.38 3mbe n THR 26 Cb 0.53 -1.21 0.08 0.00 -1.82 0.00 0.00 70.33 67.91 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 -0.60 2.20 -4.05 8.00 3.02 -1.26 -3.86 115.26 118.71 3mbe n ASN 27 Ca 0.43 -1.65 -0.32 0.00 -0.03 0.00 0.00 54.58 53.02 3mbe n ASN 27 Cb 0.76 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.84 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 0.45 -3.12 -4.82 6.41 4.05 -1.26 -4.94 115.26 112.02 3mbe n ASN 28 Ca 0.07 -0.93 -0.38 0.00 0.45 0.00 0.00 54.58 53.80 3mbe n ASN 28 Cb 0.30 -3.25 -0.06 0.00 1.23 0.00 0.00 39.78 38.00 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 -3.44 3.70 0.00 1.20 3.76 -1.26 -4.96 115.29 114.28 3mbe s HIS 29 Ca 0.54 0.96 -0.09 0.00 -0.15 0.00 0.00 55.06 56.31 3mbe s HIS 29 Cb -0.28 -2.30 -0.31 0.00 1.11 0.00 0.00 32.58 30.80 3mbe s HIS 29 CO 0.88 0.59 0.86 -0.44 -0.85 0.00 0.00 174.74 175.79 3mbe h ASP 37 N 4.96 0.59 -3.57 1.40 3.32 -1.77 -3.46 116.42 117.90 3mbe h ASP 37 Ca -0.50 -0.76 -0.52 0.00 0.02 0.00 0.00 57.03 55.27 3mbe h ASP 37 Cb 1.21 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 3mbe h ASP 37 CO 0.63 1.62 0.19 -0.31 -1.72 0.00 0.00 179.24 179.65 3mbe s TYR 38 N -2.60 3.87 0.04 4.55 1.51 -0.61 -4.14 117.35 119.97 3mbe s TYR 38 Ca -0.11 1.63 -0.00 0.00 -1.01 0.00 0.00 57.07 57.59 3mbe s TYR 38 Cb 0.06 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 3mbe s TYR 38 CO 0.88 0.47 -0.03 -1.64 -1.11 0.00 0.00 175.55 174.12 3mbe s MET 39 N -1.31 0.45 0.07 -0.62 -1.94 -0.83 -1.24 119.30 113.89 3mbe s MET 39 Ca 0.38 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 3mbe s MET 39 Cb -0.22 0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.69 3mbe s MET 39 CO 0.26 -0.06 -0.07 0.71 -0.01 0.00 0.00 175.02 175.85 3mbe s TYR 40 N -2.40 0.77 -0.16 -0.03 1.51 0.84 -2.16 117.35 115.72 3mbe s TYR 40 Ca -0.06 -0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 55.21 3mbe s TYR 40 Cb -0.03 -0.46 0.04 0.00 -0.11 0.00 0.00 41.96 41.40 3mbe s TYR 40 CO -0.04 -0.15 -0.06 -1.58 -1.11 0.00 0.00 175.55 172.61 3mbe s TRP 41 N -2.87 1.76 0.51 2.71 0.52 -0.31 -2.70 118.94 118.57 3mbe s TRP 41 Ca 0.04 -1.11 0.07 0.00 0.02 0.00 0.00 56.10 55.12 3mbe s TRP 41 Cb 0.00 -1.35 0.04 0.00 -1.15 0.00 0.00 33.47 31.01 3mbe s TRP 41 CO -0.03 -0.62 0.51 0.71 0.02 0.00 0.00 176.95 177.53 3mbe s TYR 42 N 1.61 1.89 -0.07 -1.98 1.51 -0.36 -1.21 117.35 118.74 3mbe s TYR 42 Ca 0.01 -0.70 -0.06 0.00 -1.01 0.00 0.00 57.07 55.30 3mbe s TYR 42 Cb -0.15 -2.08 0.02 0.00 -0.11 0.00 0.00 41.96 39.64 3mbe s TYR 42 CO -0.08 -0.57 0.19 -0.98 -1.11 0.00 0.00 175.55 173.00 3mbe s ARG 43 N -4.35 0.21 -0.29 -0.62 1.70 -1.05 -2.50 118.95 112.05 3mbe s ARG 43 Ca 0.46 0.27 -0.05 0.00 -0.47 0.00 0.00 55.73 55.94 3mbe s ARG 43 Cb -0.04 0.08 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 3mbe s ARG 43 CO 0.28 -0.04 0.04 -1.14 -1.08 0.00 0.00 175.30 173.36 3mbe s GLN 44 N 0.19 2.90 0.16 3.89 0.74 -0.77 -2.10 119.66 124.68 3mbe s GLN 44 Ca -0.01 -0.97 0.05 0.00 0.05 0.00 0.00 55.36 54.49 3mbe s GLN 44 Cb -0.02 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 3mbe s GLN 44 CO -0.00 -0.48 0.11 -0.51 -0.55 0.00 0.00 175.29 173.86 3mbe s ASP 45 N 1.42 5.40 0.00 6.67 1.01 -1.25 -3.57 116.67 126.35 3mbe s ASP 45 Ca 0.01 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.10 3mbe s ASP 45 Cb -0.18 -1.37 0.00 0.00 1.01 0.00 0.00 42.92 42.38 3mbe s ASP 45 CO 0.00 0.07 0.00 0.35 0.21 0.00 0.00 175.17 175.81 3mbe n THR 46 N -0.30 0.00 -2.22 -1.27 -2.24 -1.26 -1.66 114.28 105.32 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 1.66 3.38 0.00 -1.26 -4.78 105.19 104.19 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 -0.47 -0.07 0.00 1.61 1.44 -0.66 -5.15 115.22 111.92 3mbe n HIS 48 Ca 0.00 -0.87 0.00 0.00 -2.01 0.00 0.00 57.72 54.84 3mbe n HIS 48 Cb 0.00 0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.38 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 -0.07 1.24 3.81 -1.39 0.00 -1.26 -4.94 105.19 102.57 3mbe n GLY 49 Ca -0.08 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.77 4.51 -0.10 0.99 1.02 -1.26 -3.91 118.68 119.15 3mbe s LEU 50 Ca 0.00 1.35 0.02 0.00 0.02 0.00 0.00 54.13 55.52 3mbe s LEU 50 Cb 0.00 -3.09 0.01 0.00 0.02 0.00 0.00 46.19 43.13 3mbe s LEU 50 CO 0.00 0.22 -0.15 -0.13 0.02 0.00 0.00 176.35 176.31 3mbe s ARG 51 N -1.28 2.22 0.45 1.70 0.52 -0.89 -4.90 118.95 116.77 3mbe s ARG 51 Ca 0.33 -0.57 -0.25 0.00 -0.52 0.00 0.00 55.73 54.72 3mbe s ARG 51 Cb -0.20 -1.87 -0.08 0.00 0.52 0.00 0.00 34.95 33.32 3mbe s ARG 51 CO 0.21 -0.04 1.42 -1.17 0.02 0.00 0.00 175.30 175.74 3mbe s LEU 52 N 0.93 4.13 0.00 2.53 2.96 -1.26 -2.54 118.68 125.42 3mbe s LEU 52 Ca -0.08 2.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 3mbe s LEU 52 Cb -0.15 -3.92 0.00 0.00 0.50 0.00 0.00 46.19 42.62 3mbe s LEU 52 CO -0.01 -1.15 0.00 -0.38 -1.32 0.00 0.00 176.35 173.49 3mbe n ILE 53 N -0.15 0.00 -3.76 6.68 5.41 -0.35 -1.48 119.36 125.71 3mbe n ILE 53 Ca 0.05 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.67 3mbe n ILE 53 Cb 0.42 -1.12 -0.10 0.00 -0.71 0.00 0.00 39.64 38.13 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 -1.96 -0.31 0.42 1.39 3.76 -1.21 -0.37 115.29 117.01 3mbe s HIS 54 Ca 0.00 0.70 0.04 0.00 -0.15 0.00 0.00 55.06 55.64 3mbe s HIS 54 Cb 0.00 0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.78 3mbe s HIS 54 CO 0.00 -0.24 0.13 1.52 -0.85 0.00 0.00 174.74 175.30 3mbe s TYR 55 N -0.30 1.79 -0.30 1.40 1.13 -0.44 -1.17 117.35 119.47 3mbe s TYR 55 Ca -0.04 -1.29 -0.15 0.00 -1.41 0.00 0.00 57.07 54.17 3mbe s TYR 55 Cb -0.03 -1.17 0.16 0.00 -1.10 0.00 0.00 41.96 39.81 3mbe s TYR 55 CO 0.02 -0.30 0.97 0.45 -2.51 0.00 0.00 175.55 174.18 3mbe s SER 56 N -3.63 -0.57 -0.09 -0.18 0.15 -0.92 -0.49 113.70 107.97 3mbe s SER 56 Ca 0.22 0.82 0.13 0.00 0.70 0.00 0.00 55.95 57.82 3mbe s SER 56 Cb 0.02 1.52 0.19 0.00 -1.71 0.00 0.00 66.02 66.05 3mbe s SER 56 CO 0.14 -0.12 1.08 0.00 1.20 0.00 0.00 173.24 175.55 3mbe n TYR 57 N 4.55 0.00 -3.59 3.44 0.18 -1.26 -1.96 117.16 118.51 3mbe n TYR 57 Ca -0.12 -0.74 -0.01 0.00 1.88 0.00 0.00 57.90 58.90 3mbe n TYR 57 Cb 0.54 -0.12 -0.04 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 -2.08 -0.73 0.05 -3.48 0.11 -1.26 -4.80 120.40 108.22 3mbe s VAL 58 Ca 0.21 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.93 3mbe s VAL 58 Cb 0.19 -1.00 -0.17 0.00 -1.53 0.00 0.00 36.38 33.86 3mbe s VAL 58 CO 0.02 0.00 0.84 0.00 -3.33 0.00 0.00 175.10 172.63 3mbe n ALA 63 N 5.13 -3.18 -1.25 1.54 0.00 -1.26 -0.35 120.51 121.14 3mbe n ALA 63 Ca -0.13 0.50 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 3mbe n ALA 63 Cb 0.51 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 1.47 -3.92 -3.93 0.00 8.00 0.29 -5.00 116.55 113.46 3mbe n ASP 64 Ca 0.18 0.19 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 3mbe n ASP 64 Cb 0.11 -2.14 -0.16 0.00 -0.02 0.00 0.00 41.12 38.91 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 -2.91 3.15 -0.02 -2.24 0.15 0.52 -4.95 113.70 107.40 3mbe s SER 65 Ca 0.00 -0.80 -0.00 0.00 0.70 0.00 0.00 55.95 55.84 3mbe s SER 65 Cb 0.00 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 3mbe s SER 65 CO 0.00 -0.18 0.05 -0.89 1.20 0.00 0.00 173.24 173.42 3mbe s THR 66 N 1.53 4.51 -0.04 6.45 2.01 -1.26 -4.23 115.64 124.61 3mbe s THR 66 Ca -0.01 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3mbe s THR 66 Cb -0.16 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.34 3mbe s THR 66 CO -0.08 0.41 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.57 3mbe s GLU 67 N -1.52 1.09 0.67 4.92 0.41 0.36 -5.00 118.70 119.63 3mbe s GLU 67 Ca 0.20 -0.27 -0.17 0.00 -0.41 0.00 0.00 54.97 54.32 3mbe s GLU 67 Cb -0.12 -1.00 0.00 0.00 -1.78 0.00 0.00 34.13 31.24 3mbe s GLU 67 CO 0.11 0.04 1.26 0.15 -0.49 0.00 0.00 175.26 176.32 3mbe s LYS 68 N 0.50 2.44 0.00 1.61 1.02 -1.26 -1.32 119.74 122.73 3mbe s LYS 68 Ca -0.08 1.94 0.00 0.00 0.02 0.00 0.00 55.97 57.85 3mbe s LYS 68 Cb -0.12 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 3mbe s LYS 68 CO 0.01 -1.65 0.00 0.41 -0.92 0.00 0.00 175.35 173.20 3mbe n GLY 69 N 0.71 2.92 0.12 -3.33 0.00 0.51 -4.62 105.19 101.49 3mbe n GLY 69 Ca 0.15 -1.88 -0.21 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 0.54 -2.24 1.61 3.32 -1.48 -3.39 116.42 114.79 3mbe h ASP 70 Ca 0.00 -0.94 -0.59 0.00 0.02 0.00 0.00 57.03 55.52 3mbe h ASP 70 Cb 0.00 -0.18 -0.42 0.00 0.22 0.00 0.00 39.33 38.95 3mbe h ASP 70 CO 0.00 1.47 -0.66 2.30 -1.72 0.00 0.00 179.24 180.63 3mbe n ILE 71 N -4.03 2.67 1.61 0.35 -6.64 -1.05 -4.86 119.36 107.41 3mbe n ILE 71 Ca -0.15 -5.41 0.08 0.00 -1.77 0.00 0.00 62.75 55.49 3mbe n ILE 71 Cb 0.89 -1.57 0.35 0.00 -1.44 0.00 0.00 39.64 37.87 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 1.34 -2.29 6.28 -0.02 -1.26 -4.78 135.00 134.39 3mbe n PRO 72 Ca 0.30 -0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 60.85 3mbe n PRO 72 Cb 0.41 -1.27 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.40 6.64 0.00 2.55 1.01 -1.26 -2.85 116.67 121.35 3mbe s ASP 74 Ca 0.24 1.54 0.00 0.00 0.71 0.00 0.00 52.55 55.04 3mbe s ASP 74 Cb 0.12 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.51 3mbe s ASP 74 CO 0.19 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 175.13 3mbe n GLY 75 N 4.25 0.82 3.25 0.21 0.00 -1.26 -5.07 105.19 107.39 3mbe n GLY 75 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.10 1.55 -0.16 1.61 2.02 -1.13 -4.56 117.35 114.58 3mbe s TYR 76 Ca 0.00 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.21 3mbe s TYR 76 Cb 0.00 -0.84 0.05 0.00 -0.40 0.00 0.00 41.96 40.77 3mbe s TYR 76 CO 0.00 0.17 0.02 0.15 -1.57 0.00 0.00 175.55 174.31 3mbe s LYS 77 N -2.12 0.73 0.79 -0.62 1.02 0.64 -4.95 119.74 115.23 3mbe s LYS 77 Ca 0.06 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.68 3mbe s LYS 77 Cb -0.08 -1.80 0.13 0.00 -0.52 0.00 0.00 37.83 35.56 3mbe s LYS 77 CO 0.04 -0.53 1.10 0.00 -0.92 0.00 0.00 175.35 175.04 3mbe s ALA 78 N 1.86 3.10 -0.30 5.17 0.00 -1.26 -1.43 121.76 128.90 3mbe s ALA 78 Ca 0.01 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 3mbe s ALA 78 Cb -0.16 -2.40 0.17 0.00 0.00 0.00 0.00 23.12 20.74 3mbe s ALA 78 CO -0.07 -1.72 0.93 0.45 0.00 0.00 0.00 175.76 175.35 3mbe s SER 79 N -4.73 -0.70 -0.97 0.00 0.15 -0.69 -4.93 113.70 101.83 3mbe s SER 79 Ca 0.67 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.92 3mbe s SER 79 Cb -0.06 1.67 0.24 0.00 -1.71 0.00 0.00 66.02 66.16 3mbe s SER 79 CO 0.47 -0.13 0.90 -0.60 1.20 0.00 0.00 173.24 175.08 3mbe s ARG 80 N 2.74 3.62 0.00 5.44 6.06 -1.26 -1.51 118.95 134.04 3mbe s ARG 80 Ca 0.02 -3.25 0.00 0.00 -2.50 0.00 0.00 55.73 50.01 3mbe s ARG 80 Cb -0.10 -4.18 0.00 0.00 0.06 0.00 0.00 34.95 30.74 3mbe s ARG 80 CO -0.16 -1.26 0.74 -0.35 -2.50 0.00 0.00 175.30 171.78 3mbe n PRO 81 N 2.49 0.00 -0.42 5.12 -0.04 -1.25 0.10 135.00 141.00 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 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.38 0.00 0.15 3.54 3.41 -1.26 -4.10 113.62 113.97 3mbe n SER 83 Ca 0.00 -0.43 0.08 0.00 -0.26 0.00 0.00 58.87 58.27 3mbe n SER 83 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 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 -3.34 115.11 118.30 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 0.15 -1.23 0.39 -1.93 0.00 0.00 178.83 176.21 3mbe n GLU 85 N -2.99 0.43 -5.21 1.69 4.71 -1.26 -4.82 120.64 113.19 3mbe n GLU 85 Ca 0.01 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 56.83 3mbe n GLU 85 Cb 0.62 -1.63 -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 -4.36 3.27 -0.27 1.62 0.01 -1.25 -0.82 114.94 113.15 3mbe s ASN 86 Ca 0.00 -0.41 -0.01 0.00 -0.71 0.00 0.00 52.86 51.74 3mbe s ASN 86 Cb 0.13 -0.46 0.15 0.00 0.41 0.00 0.00 41.25 41.48 3mbe s ASN 86 CO 0.82 0.33 0.39 0.12 -1.51 0.00 0.00 177.10 177.25 3mbe s PHE 87 N -0.64 -0.91 -0.12 2.20 5.36 -0.99 -3.74 117.98 119.13 3mbe s PHE 87 Ca 0.10 0.60 -0.06 0.00 -0.96 0.00 0.00 56.93 56.61 3mbe s PHE 87 Cb -0.10 -0.06 -0.04 0.00 -0.34 0.00 0.00 43.02 42.48 3mbe s PHE 87 CO -0.01 -0.85 0.11 -1.12 -1.46 0.00 0.00 175.22 171.90 3mbe s SER 88 N 2.55 6.16 -0.11 6.13 0.01 -0.57 -2.90 113.70 124.97 3mbe s SER 88 Ca 0.11 0.39 -0.05 0.00 1.31 0.00 0.00 55.95 57.71 3mbe s SER 88 Cb -0.14 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 3mbe s SER 88 CO -0.23 0.38 0.09 -0.22 0.41 0.00 0.00 173.24 173.68 3mbe s LEU 89 N -0.89 4.09 -0.07 2.44 2.96 0.39 -1.70 118.68 125.90 3mbe s LEU 89 Ca 0.14 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 3mbe s LEU 89 Cb -0.12 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3mbe s LEU 89 CO 0.03 0.38 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.76 3mbe s ILE 90 N -0.86 0.69 -0.25 6.68 1.09 -0.52 -1.30 121.20 126.74 3mbe s ILE 90 Ca 0.14 -0.14 -0.07 0.00 -1.10 0.00 0.00 60.65 59.47 3mbe s ILE 90 Cb -0.12 -0.74 -0.03 0.00 -1.06 0.00 0.00 42.46 40.51 3mbe s ILE 90 CO 0.03 0.29 0.07 -0.76 -0.10 0.00 0.00 174.94 174.47 3mbe s LEU 91 N 1.40 3.45 0.02 2.97 1.43 -0.91 -0.26 118.68 126.79 3mbe s LEU 91 Ca -0.03 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3mbe s LEU 91 Cb -0.13 -1.93 -0.29 0.00 0.03 0.00 0.00 46.19 43.87 3mbe s LEU 91 CO -0.03 -0.03 0.94 -0.33 0.23 0.00 0.00 176.35 177.13 3mbe h GLU 92 N 8.19 0.30 -3.11 1.70 4.39 -1.81 -2.57 114.58 121.66 3mbe h GLU 92 Ca -0.38 -0.52 -0.62 0.00 0.34 0.00 0.00 59.36 58.18 3mbe h GLU 92 Cb 1.17 0.19 -0.40 0.00 -0.10 0.00 0.00 28.75 29.61 3mbe h GLU 92 CO 0.58 1.20 -0.69 -0.51 -1.16 0.00 0.00 179.01 178.43 3mbe s LEU 93 N -7.13 3.44 -0.02 1.33 1.43 -1.26 -3.78 118.68 112.69 3mbe s LEU 93 Ca -0.08 -2.92 -0.37 0.00 -1.03 0.00 0.00 54.13 49.73 3mbe s LEU 93 Cb 0.06 -1.29 -0.16 0.00 0.03 0.00 0.00 46.19 44.84 3mbe s LEU 93 CO 0.87 -0.23 1.54 0.00 0.23 0.00 0.00 176.35 178.76 3mbe n ALA 94 N 3.19 -0.28 -2.14 4.21 0.00 -0.22 -4.68 120.51 120.59 3mbe n ALA 94 Ca 0.09 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.78 3mbe n ALA 94 Cb 0.34 -2.19 0.03 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 1.74 5.08 0.10 0.00 1.04 -1.26 -1.29 113.70 119.11 3mbe s SER 95 Ca 0.88 -0.86 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 3mbe s SER 95 Cb -0.93 0.05 -0.16 0.00 0.10 0.00 0.00 66.02 65.08 3mbe s SER 95 CO 0.51 -1.10 1.25 -0.07 0.98 0.00 0.00 173.24 174.81 3mbe h LEU 96 N 0.50 0.69 0.00 2.42 3.38 -1.93 -3.24 115.31 117.13 3mbe h LEU 96 Ca -0.35 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.06 3mbe h LEU 96 Cb 1.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3mbe h LEU 96 CO 0.47 1.37 0.00 -1.54 0.09 0.00 0.00 178.44 178.83 3mbe n SER 97 N -3.78 0.00 -1.45 -0.43 3.41 -1.26 -3.05 113.62 107.05 3mbe n SER 97 Ca -0.09 -1.20 0.08 0.00 -0.26 0.00 0.00 58.87 57.40 3mbe n SER 97 Cb 0.87 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.16 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 -0.79 3.97 -2.65 4.33 6.02 -1.22 -4.90 117.38 122.14 3mbe n GLN 98 Ca 0.12 -2.97 -0.43 0.00 -0.01 0.00 0.00 57.00 53.71 3mbe n GLN 98 Cb 0.05 -2.02 -0.02 0.00 1.02 0.00 0.00 30.24 29.27 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 -2.56 4.54 0.03 5.09 2.01 -1.17 -4.90 115.64 118.68 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 0.36 -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 0.33 0.00 -0.69 0.00 0.00 174.62 173.99 3mbe n ALA 100 N 6.76 -0.90 -3.71 7.40 0.00 -1.12 -4.99 120.51 123.96 3mbe n ALA 100 Ca 0.12 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 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 2.89 -0.32 0.00 1.01 -1.23 -1.08 120.40 119.36 3mbe s VAL 101 Ca 0.08 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 3mbe s VAL 101 Cb -0.01 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3mbe s VAL 101 CO 0.01 0.08 0.32 -0.31 0.00 0.00 0.00 175.10 175.20 3mbe s TYR 102 N 1.29 3.22 -0.18 5.22 1.51 -1.05 -1.86 117.35 125.50 3mbe s TYR 102 Ca -0.02 0.03 -0.09 0.00 -1.01 0.00 0.00 57.07 55.97 3mbe s TYR 102 Cb -0.18 -2.59 -0.05 0.00 -0.11 0.00 0.00 41.96 39.03 3mbe s TYR 102 CO -0.03 -0.36 0.12 -0.06 -1.11 0.00 0.00 175.55 174.11 3mbe s PHE 103 N 1.95 3.41 -0.21 2.71 0.40 -1.04 -2.79 117.98 122.40 3mbe s PHE 103 Ca 0.11 0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.68 3mbe s PHE 103 Cb -0.16 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 3mbe s PHE 103 CO 0.11 0.35 0.07 0.00 0.70 0.00 0.00 175.22 176.45 3mbe s ALA 105 N 0.94 1.56 0.33 0.00 0.00 -1.10 0.37 121.76 123.86 3mbe s ALA 105 Ca 0.04 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.74 3mbe s ALA 105 Cb -0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 3mbe s ALA 105 CO 0.03 0.14 0.07 -1.54 0.00 0.00 0.00 175.76 174.46 3mbe s SER 106 N -2.39 2.30 0.17 0.00 1.04 -0.89 -0.11 113.70 113.83 3mbe s SER 106 Ca 0.09 -1.42 -0.23 0.00 0.48 0.00 0.00 55.95 54.87 3mbe s SER 106 Cb -0.06 0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.16 3mbe s SER 106 CO 0.04 -0.67 1.03 -0.94 0.98 0.00 0.00 173.24 173.68 3mbe s SER 107 N -3.49 -0.03 -0.30 7.02 1.04 -0.37 -1.43 113.70 116.15 3mbe s SER 107 Ca 0.35 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 56.00 3mbe s SER 107 Cb 0.08 0.49 0.20 0.00 0.10 0.00 0.00 66.02 66.88 3mbe s SER 107 CO 0.15 -0.96 1.20 0.86 0.98 0.00 0.00 173.24 175.47 3mbe s TRP 108 N -2.36 -0.18 0.00 5.02 -0.11 -1.26 -1.57 118.94 118.49 3mbe s TRP 108 Ca 0.20 0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.87 3mbe s TRP 108 Cb -0.02 0.11 0.00 0.00 -1.50 0.00 0.00 33.47 32.05 3mbe s TRP 108 CO 0.05 -0.09 0.00 -3.47 -4.62 0.00 0.00 176.95 168.82 3mbe n ASP 109 N 3.32 0.00 -4.69 5.86 2.03 -1.26 -4.71 116.55 117.10 3mbe n ASP 109 Ca -0.17 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 0.09 4.32 0.72 -0.67 0.52 -1.26 -4.75 118.95 117.92 3mbe s ARG 110 Ca 0.00 0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 55.78 3mbe s ARG 110 Cb 0.00 -3.51 -0.14 0.00 0.52 0.00 0.00 34.95 31.82 3mbe s ARG 110 CO 0.00 -0.08 -0.47 0.00 0.02 0.00 0.00 175.30 174.77 3mbe n ALA 112 N 4.40 -4.28 -2.57 2.13 0.00 -1.26 -4.89 120.51 114.04 3mbe n ALA 112 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3mbe n ALA 112 Cb 0.50 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 2.83 1.24 4.80 0.00 0.00 -1.26 -5.02 105.19 107.78 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 -4.06 115.26 111.78 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 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.41 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 -1.95 0.00 -2.82 5.53 -2.24 -1.26 -5.06 114.28 106.47 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 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -4.29 118.68 120.88 3mbe s LEU 116 Ca 0.00 1.76 -0.00 0.00 0.05 0.00 0.00 54.13 55.93 3mbe s LEU 116 Cb 0.00 -3.48 0.02 0.00 -2.05 0.00 0.00 46.19 40.68 3mbe s LEU 116 CO 0.00 0.07 -0.05 -0.31 -0.55 0.00 0.00 176.35 175.51 3mbe s TYR 117 N -0.60 1.08 0.72 3.48 4.12 -0.51 -4.93 117.35 120.71 3mbe s TYR 117 Ca 0.42 -0.44 -0.11 0.00 0.02 0.00 0.00 57.07 56.95 3mbe s TYR 117 Cb -0.24 -0.99 0.02 0.00 -1.52 0.00 0.00 41.96 39.24 3mbe s TYR 117 CO 0.29 -0.38 1.11 -0.06 0.02 0.00 0.00 175.55 176.52 3mbe s PHE 118 N 1.62 3.26 0.00 2.71 0.40 -1.26 -2.09 117.98 122.62 3mbe s PHE 118 Ca 0.01 1.00 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 3mbe s PHE 118 Cb -0.13 -3.14 0.00 0.00 0.51 0.00 0.00 43.02 40.27 3mbe s PHE 118 CO -0.05 -1.27 0.00 0.41 0.70 0.00 0.00 175.22 175.01 3mbe n GLY 119 N -3.05 0.56 0.02 4.36 0.00 1.17 -4.67 105.19 103.57 3mbe n GLY 119 Ca 0.07 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 2.10 0.00 1.61 0.00 -1.26 -4.87 120.64 118.21 3mbe n GLU 120 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 57.16 55.84 3mbe n GLU 120 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 31.44 30.54 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 -0.43 -1.77 2.58 -1.84 0.00 -1.26 -5.00 105.19 97.46 3mbe n GLY 121 Ca 0.01 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.25 3.52 -0.31 1.61 0.01 -1.12 -4.83 113.70 110.32 3mbe s SER 122 Ca 0.00 -1.73 -0.29 0.00 1.31 0.00 0.00 55.95 55.24 3mbe s SER 122 Cb 0.00 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 3mbe s SER 122 CO 0.00 -0.38 1.68 -0.60 0.41 0.00 0.00 173.24 174.35 3mbe s ARG 123 N 1.56 3.52 -0.12 12.44 3.52 -1.20 -2.53 118.95 136.13 3mbe s ARG 123 Ca 0.12 1.42 -0.05 0.00 -0.13 0.00 0.00 55.73 57.10 3mbe s ARG 123 Cb -0.19 -4.12 -0.04 0.00 -1.56 0.00 0.00 34.95 29.04 3mbe s ARG 123 CO -0.21 -1.64 0.06 -1.17 -0.81 0.00 0.00 175.30 171.53 3mbe s LEU 124 N 6.13 3.87 -0.03 -0.88 2.96 -0.24 -1.57 118.68 128.92 3mbe s LEU 124 Ca 0.74 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 3mbe s LEU 124 Cb -0.22 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.56 3mbe s LEU 124 CO 0.32 0.33 -0.04 -0.63 -1.32 0.00 0.00 176.35 175.01 3mbe s ILE 125 N -0.57 0.46 -0.15 6.68 1.01 -0.38 -2.78 121.20 125.48 3mbe s ILE 125 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.63 3mbe s ILE 125 Cb -0.12 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.90 3mbe s ILE 125 CO 0.02 0.18 -0.19 -0.69 0.00 0.00 0.00 174.94 174.27 3mbe s VAL 126 N 0.59 1.89 0.25 2.92 1.01 -1.26 -1.01 120.40 124.78 3mbe s VAL 126 Ca -0.07 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.17 3mbe s VAL 126 Cb -0.11 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3mbe s VAL 126 CO -0.00 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 174.79 3mbe s VAL 127 N 1.18 2.88 0.15 2.92 1.01 -0.14 -4.86 120.40 123.53 3mbe s VAL 127 Ca 0.01 -2.09 -0.02 0.00 0.00 0.00 0.00 61.98 59.87 3mbe s VAL 127 Cb -0.14 -2.49 -0.15 0.00 0.00 0.00 0.00 36.38 33.60 3mbe s VAL 127 CO -0.08 -0.31 1.36 -0.33 0.00 0.00 0.00 175.10 175.73 3mbe h GLU 128 N 2.36 0.37 -3.18 2.72 5.08 -1.94 0.19 114.58 120.18 3mbe h GLU 128 Ca -0.43 -0.37 -0.23 0.00 -1.00 0.00 0.00 59.36 57.33 3mbe h GLU 128 Cb 1.24 0.09 -0.31 0.00 0.50 0.00 0.00 28.75 30.27 3mbe h GLU 128 CO 0.58 1.03 -0.57 0.34 -1.00 0.00 0.00 179.01 179.39 3mbe s ASP 129 N -7.02 -0.13 0.59 1.42 -1.08 -1.26 -4.44 116.67 104.75 3mbe s ASP 129 Ca -0.05 0.36 0.38 0.00 -0.52 0.00 0.00 52.55 52.72 3mbe s ASP 129 Cb 0.10 0.25 1.79 0.00 -1.46 0.00 0.00 42.92 43.59 3mbe s ASP 129 CO 0.85 -0.16 2.13 -0.07 0.52 0.00 0.00 175.17 178.45 3mbe h LEU 130 N 7.26 0.00 -0.78 -1.34 3.38 -1.97 -3.12 115.31 118.74 3mbe h LEU 130 Ca -0.42 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.71 3mbe h LEU 130 Cb 1.14 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 3mbe h LEU 130 CO 0.40 0.00 0.29 0.03 0.09 0.00 0.00 178.44 179.26 3mbe h ARG 131 N 0.00 0.39 0.00 1.13 3.08 -1.98 -2.13 114.38 114.86 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 0.31 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3mbe h ARG 131 CO 0.00 0.26 0.00 0.09 -1.07 0.00 0.00 179.97 179.25 3mbe n ASN 132 N -5.05 0.07 -4.71 7.04 3.02 -1.18 -4.68 115.26 109.77 3mbe n ASN 132 Ca 0.16 0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 54.82 3mbe n ASN 132 Cb 0.47 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 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 -3.06 3.50 -0.20 2.41 1.01 -0.80 -4.67 120.40 118.59 3mbe s VAL 133 Ca 0.02 1.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.92 3mbe s VAL 133 Cb 0.04 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.79 3mbe s VAL 133 CO 0.11 0.08 0.52 0.28 0.00 0.00 0.00 175.10 176.09 3mbe s THR 134 N 1.18 -0.01 1.25 3.92 -1.32 -0.90 -4.78 115.64 114.98 3mbe s THR 134 Ca 0.63 0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.99 3mbe s THR 134 Cb -0.35 -0.74 0.32 0.00 -1.51 0.00 0.00 72.50 70.22 3mbe s THR 134 CO 0.30 0.01 0.99 -2.84 -2.21 0.00 0.00 174.62 170.87 3mbe s PRO 135 N 0.86 -1.57 0.59 7.08 0.02 -1.26 -1.14 135.00 139.56 3mbe s PRO 135 Ca -0.05 0.68 -0.02 0.00 0.02 0.00 0.00 61.00 61.64 3mbe s PRO 135 Cb -0.05 -1.49 0.03 0.00 0.02 0.00 0.00 34.50 33.01 3mbe s PRO 135 CO -0.07 -4.12 0.84 -1.25 -0.33 0.00 0.00 177.00 172.07 3mbe s PRO 136 N -4.53 2.54 -0.42 5.54 0.05 -1.26 -3.93 135.00 132.98 3mbe s PRO 136 Ca 0.69 -0.53 -0.07 0.00 0.05 0.00 0.00 61.00 61.13 3mbe s PRO 136 Cb -0.23 -2.39 0.09 0.00 0.05 0.00 0.00 34.50 32.02 3mbe s PRO 136 CO 0.64 -0.81 0.24 0.15 0.05 0.00 0.00 177.00 177.27 3mbe s LYS 137 N -4.90 2.41 -0.43 4.56 -0.14 0.22 -4.91 119.74 116.55 3mbe s LYS 137 Ca 0.57 -1.60 -0.22 0.00 -1.36 0.00 0.00 55.97 53.35 3mbe s LYS 137 Cb -0.10 -3.72 0.02 0.00 -1.68 0.00 0.00 37.83 32.35 3mbe s LYS 137 CO 0.41 -1.01 0.74 0.08 -0.76 0.00 0.00 175.35 174.80 3mbe s VAL 138 N 1.33 4.72 -0.15 3.17 1.01 -1.26 -2.52 120.40 126.69 3mbe s VAL 138 Ca 0.04 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.43 3mbe s VAL 138 Cb -0.23 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.89 3mbe s VAL 138 CO -0.00 -0.64 -0.19 -0.94 0.00 0.00 0.00 175.10 173.33 3mbe s SER 139 N 2.06 3.35 -0.25 3.32 1.04 -0.61 -4.64 113.70 117.96 3mbe s SER 139 Ca 0.28 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 3mbe s SER 139 Cb -0.13 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 3mbe s SER 139 CO 0.21 0.07 0.33 -0.22 0.98 0.00 0.00 173.24 174.61 3mbe s LEU 140 N 0.88 4.07 -0.33 2.42 2.96 -1.26 -1.94 118.68 125.47 3mbe s LEU 140 Ca -0.05 0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 53.97 3mbe s LEU 140 Cb -0.15 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 3mbe s LEU 140 CO -0.02 -0.12 0.47 -0.36 -1.32 0.00 0.00 176.35 175.00 3mbe s PHE 141 N 1.75 3.20 0.73 5.38 0.40 -0.21 -4.98 117.98 124.25 3mbe s PHE 141 Ca 0.14 0.19 -0.14 0.00 -0.60 0.00 0.00 56.93 56.52 3mbe s PHE 141 Cb -0.15 -2.82 0.04 0.00 0.51 0.00 0.00 43.02 40.60 3mbe s PHE 141 CO 0.09 -0.46 1.16 -1.21 0.70 0.00 0.00 175.22 175.50 3mbe s GLU 142 N 2.27 2.22 1.18 0.44 2.02 -1.26 -2.56 118.70 123.01 3mbe s GLU 142 Ca 0.17 1.59 -0.13 0.00 0.02 0.00 0.00 54.97 56.62 3mbe s GLU 142 Cb -0.16 -1.86 0.29 0.00 0.10 0.00 0.00 34.13 32.51 3mbe s GLU 142 CO 0.12 -1.74 1.02 -2.14 0.02 0.00 0.00 175.26 172.54 3mbe s PRO 143 N -4.11 -1.07 -0.21 0.39 0.02 -1.25 -4.89 135.00 123.89 3mbe s PRO 143 Ca 0.70 0.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.42 3mbe s PRO 143 Cb -0.25 -1.54 -0.05 0.00 0.02 0.00 0.00 34.50 32.68 3mbe s PRO 143 CO 0.46 -3.82 0.20 0.45 -0.33 0.00 0.00 177.00 173.97 3mbe s SER 144 N -2.50 6.24 0.18 2.53 0.15 -1.26 -4.96 113.70 114.08 3mbe s SER 144 Ca 0.69 0.27 0.15 0.00 0.70 0.00 0.00 55.95 57.76 3mbe s SER 144 Cb -0.25 -2.13 0.75 0.00 -1.71 0.00 0.00 66.02 62.68 3mbe s SER 144 CO 0.65 0.09 1.47 0.29 1.20 0.00 0.00 173.24 176.94 3mbe n LYS 145 N 3.95 0.10 0.14 5.44 5.02 -1.26 -2.05 118.16 129.49 3mbe n LYS 145 Ca -0.14 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.56 3mbe n LYS 145 Cb 0.52 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.42 -0.27 7.82 0.00 -1.99 -2.78 119.26 123.75 3mbe h ALA 146 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3mbe h ALA 146 Cb 0.11 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3mbe h ALA 146 CO 0.00 -0.44 -0.19 1.49 0.00 0.00 0.00 179.25 180.12 3mbe h GLU 147 N -1.01 -0.16 -0.85 0.00 4.81 -1.74 0.41 114.58 116.04 3mbe h GLU 147 Ca -0.04 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 3mbe h GLU 147 Cb 0.47 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 3mbe h GLU 147 CO 0.07 -0.11 0.46 0.82 -0.73 0.00 0.00 179.01 179.52 3mbe h ILE 148 N -0.17 0.79 0.12 2.32 2.04 -1.58 0.33 117.51 121.36 3mbe h ILE 148 Ca 0.15 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3mbe h ILE 148 Cb 0.39 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3mbe h ILE 148 CO -0.37 0.13 -0.06 0.00 0.00 0.00 0.00 178.15 177.85 3mbe h ALA 149 N 1.53 -0.16 -0.20 1.87 0.00 -0.95 -1.79 119.26 119.56 3mbe h ALA 149 Ca 0.45 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3mbe h ALA 149 Cb 0.57 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3mbe h ALA 149 CO -0.32 -0.21 -0.31 -0.91 0.00 0.00 0.00 179.25 177.49 3mbe h ASN 150 N -0.92 0.41 0.00 0.00 2.35 -0.08 -3.35 115.58 114.00 3mbe h ASN 150 Ca -0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3mbe h ASN 150 Cb 0.51 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3mbe h ASN 150 CO 0.03 0.71 -0.60 0.29 -1.65 0.00 0.00 177.43 176.21 3mbe n LYS 151 N -4.09 2.96 -2.22 0.81 5.02 0.12 -5.03 118.16 115.72 3mbe n LYS 151 Ca -0.01 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 3mbe n LYS 151 Cb 0.43 -0.81 -0.01 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.31 -1.15 -3.76 1.97 3.00 -0.67 -4.98 117.38 110.48 3mbe n GLN 152 Ca -0.00 0.72 -0.14 0.00 -0.01 0.00 0.00 57.00 57.57 3mbe n GLN 152 Cb 0.02 -5.02 -0.15 0.00 0.00 0.00 0.00 30.24 25.10 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 -4.63 0.07 -0.23 -1.09 1.02 -1.26 -0.62 119.74 113.00 3mbe s LYS 153 Ca 0.00 0.31 -0.12 0.00 0.02 0.00 0.00 55.97 56.18 3mbe s LYS 153 Cb 0.00 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.09 3mbe s LYS 153 CO 0.00 -0.15 0.25 0.00 -0.92 0.00 0.00 175.35 174.53 3mbe s ALA 154 N 1.04 3.59 -0.21 5.17 0.00 0.11 -3.75 121.76 127.72 3mbe s ALA 154 Ca -0.08 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 3mbe s ALA 154 Cb -0.11 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3mbe s ALA 154 CO -0.05 -0.24 0.09 0.99 0.00 0.00 0.00 175.76 176.55 3mbe s THR 155 N 1.16 4.85 0.14 0.00 2.01 -1.26 -1.46 115.64 121.08 3mbe s THR 155 Ca 0.12 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.15 3mbe s THR 155 Cb -0.14 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 3mbe s THR 155 CO 0.06 0.41 0.15 -0.76 -0.69 0.00 0.00 174.62 173.80 3mbe s LEU 156 N 0.73 3.91 -0.08 4.42 1.02 -0.50 -3.81 118.68 124.37 3mbe s LEU 156 Ca 0.05 -0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.14 3mbe s LEU 156 Cb -0.13 -2.53 0.03 0.00 0.02 0.00 0.00 46.19 43.58 3mbe s LEU 156 CO 0.02 0.09 0.00 -0.69 0.02 0.00 0.00 176.35 175.79 3mbe s VAL 157 N -1.68 0.40 -0.13 -1.59 1.01 -1.06 -2.06 120.40 115.28 3mbe s VAL 157 Ca 0.31 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 3mbe s VAL 157 Cb -0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 3mbe s VAL 157 CO 0.24 0.22 0.27 0.00 0.00 0.00 0.00 175.10 175.83 3mbe s LEU 159 N -0.06 1.78 -0.23 0.00 2.96 -0.82 -1.74 118.68 120.57 3mbe s LEU 159 Ca 0.16 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3mbe s LEU 159 Cb -0.13 -0.79 0.05 0.00 0.50 0.00 0.00 46.19 45.83 3mbe s LEU 159 CO 0.05 0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 175.07 3mbe s ALA 160 N 0.31 2.14 0.22 5.97 0.00 -0.40 -1.58 121.76 128.41 3mbe s ALA 160 Ca -0.07 -1.41 0.11 0.00 0.00 0.00 0.00 51.96 50.59 3mbe s ALA 160 Cb -0.12 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 3mbe s ALA 160 CO 0.02 -1.06 -0.20 1.03 0.00 0.00 0.00 175.76 175.56 3mbe s ARG 161 N 1.32 1.68 -0.55 0.00 0.52 -1.05 -1.97 118.95 118.90 3mbe s ARG 161 Ca -0.05 -1.56 -0.02 0.00 -0.52 0.00 0.00 55.73 53.58 3mbe s ARG 161 Cb -0.18 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3mbe s ARG 161 CO -0.07 0.38 0.26 0.41 0.02 0.00 0.00 175.30 176.31 3mbe n GLY 162 N -0.10 0.27 3.65 -3.53 0.00 -0.88 -0.61 105.19 103.99 3mbe n GLY 162 Ca -0.10 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.83 2.67 -0.27 1.61 -0.12 -1.24 -4.55 117.98 113.24 3mbe s PHE 163 Ca 0.13 -0.27 -0.15 0.00 -0.05 0.00 0.00 56.93 56.60 3mbe s PHE 163 Cb -0.06 -1.28 0.09 0.00 -0.63 0.00 0.00 43.02 41.13 3mbe s PHE 163 CO 0.16 0.57 0.66 0.12 -0.05 0.00 0.00 175.22 176.68 3mbe s PHE 164 N -2.36 -1.07 0.43 3.49 5.36 -0.30 -1.54 117.98 121.99 3mbe s PHE 164 Ca 0.33 2.10 0.08 0.00 -0.96 0.00 0.00 56.93 58.47 3mbe s PHE 164 Cb -0.05 0.63 0.01 0.00 -0.34 0.00 0.00 43.02 43.27 3mbe s PHE 164 CO 0.20 -0.53 0.56 -1.25 -1.46 0.00 0.00 175.22 172.74 3mbe s PRO 165 N 1.81 2.75 0.00 10.12 0.05 -1.26 -2.11 135.00 146.35 3mbe s PRO 165 Ca -0.09 -1.31 0.00 0.00 0.05 0.00 0.00 61.00 59.65 3mbe s PRO 165 Cb -0.06 -2.70 0.00 0.00 0.05 0.00 0.00 34.50 31.78 3mbe s PRO 165 CO -0.19 -0.31 0.00 -0.40 0.05 0.00 0.00 177.00 176.15 3mbe n ASP 166 N -1.84 0.00 -4.03 6.66 5.75 -1.26 -4.52 116.55 117.31 3mbe n ASP 166 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.54 3mbe n ASP 166 Cb 0.60 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 -0.19 3.65 0.18 2.11 2.46 -1.26 -4.80 115.29 117.44 3mbe s HIS 167 Ca 0.00 -2.95 -0.06 0.00 0.47 0.00 0.00 55.06 52.52 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 -0.92 0.24 0.14 -2.47 0.00 0.00 174.74 171.73 3mbe s VAL 168 N 0.73 0.04 -0.05 0.89 -7.23 -1.26 -2.88 120.40 110.64 3mbe s VAL 168 Ca 0.12 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3mbe s VAL 168 Cb -0.21 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.66 3mbe s VAL 168 CO -0.06 -0.20 0.04 -1.61 -0.31 0.00 0.00 175.10 172.96 3mbe s GLU 169 N -4.04 0.12 -0.11 4.82 8.01 -1.09 -4.92 118.70 121.49 3mbe s GLU 169 Ca 0.25 0.29 -0.03 0.00 0.01 0.00 0.00 54.97 55.49 3mbe s GLU 169 Cb 0.04 -0.62 -0.03 0.00 -4.31 0.00 0.00 34.13 29.21 3mbe s GLU 169 CO 0.05 -0.31 0.00 -1.17 0.01 0.00 0.00 175.26 173.84 3mbe s LEU 170 N 2.04 3.56 0.03 1.80 0.20 -1.26 -0.79 118.68 124.26 3mbe s LEU 170 Ca 0.04 0.09 -0.12 0.00 0.69 0.00 0.00 54.13 54.82 3mbe s LEU 170 Cb -0.12 -1.83 0.01 0.00 -0.43 0.00 0.00 46.19 43.82 3mbe s LEU 170 CO -0.04 0.31 0.27 -0.94 -0.29 0.00 0.00 176.35 175.66 3mbe s SER 171 N -0.49 -0.08 -0.08 3.68 1.04 0.10 -4.97 113.70 112.90 3mbe s SER 171 Ca 0.09 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.36 3mbe s SER 171 Cb -0.12 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 3mbe s SER 171 CO 0.02 -0.56 -0.21 0.26 0.98 0.00 0.00 173.24 173.73 3mbe s TRP 172 N -2.29 2.56 -0.48 5.02 0.52 -1.26 0.36 118.94 123.37 3mbe s TRP 172 Ca -0.07 -0.69 0.03 0.00 0.02 0.00 0.00 56.10 55.39 3mbe s TRP 172 Cb -0.02 -1.67 0.15 0.00 -1.15 0.00 0.00 33.47 30.78 3mbe s TRP 172 CO -0.02 -0.20 0.30 -1.58 0.02 0.00 0.00 176.95 175.48 3mbe s TRP 173 N -0.06 2.02 -0.55 -1.98 0.52 -0.00 -1.11 118.94 117.78 3mbe s TRP 173 Ca -0.06 -2.52 -0.28 0.00 0.02 0.00 0.00 56.10 53.26 3mbe s TRP 173 Cb -0.14 -1.78 0.03 0.00 -1.15 0.00 0.00 33.47 30.42 3mbe s TRP 173 CO 0.05 -0.75 1.16 0.08 0.02 0.00 0.00 176.95 177.50 3mbe s VAL 174 N 0.01 4.10 -0.65 4.03 1.01 -1.02 -2.69 120.40 125.20 3mbe s VAL 174 Ca 0.22 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 3mbe s VAL 174 Cb -0.15 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.55 3mbe s VAL 174 CO -0.07 -1.23 0.55 0.59 0.00 0.00 0.00 175.10 174.95 3mbe n ASN 175 N 8.20 -2.96 0.00 3.32 3.02 -0.04 -3.24 115.26 123.55 3mbe n ASN 175 Ca 0.09 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3mbe n ASN 175 Cb 0.49 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 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 -1.16 1.77 3.56 7.41 0.00 -1.25 -4.96 105.19 110.56 3mbe n GLY 176 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 3.82 0.68 1.61 1.02 -1.20 -5.03 119.74 120.64 3mbe s LYS 177 Ca 0.00 -0.43 -0.17 0.00 0.02 0.00 0.00 55.97 55.39 3mbe s LYS 177 Cb 0.00 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 3mbe s LYS 177 CO 0.00 0.20 1.25 -1.91 -0.92 0.00 0.00 175.35 173.97 3mbe n GLU 178 N 3.73 0.90 -3.98 1.68 2.13 -1.26 -2.43 120.64 121.41 3mbe n GLU 178 Ca -0.17 0.37 -0.10 0.00 0.66 0.00 0.00 57.16 57.92 3mbe n GLU 178 Cb 0.52 -2.49 -0.11 0.00 0.27 0.00 0.00 31.44 29.63 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 -1.55 0.13 0.00 6.31 -7.23 -0.27 -4.86 120.40 112.93 3mbe s VAL 179 Ca 0.80 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 3mbe s VAL 179 Cb -0.36 -0.26 0.00 0.00 0.56 0.00 0.00 36.38 36.32 3mbe s VAL 179 CO 0.43 -0.44 0.00 1.41 -0.31 0.00 0.00 175.10 176.19 3mbe n HIS 180 N 1.75 0.00 -2.89 2.82 -0.00 -1.26 -4.47 115.22 111.17 3mbe n HIS 180 Ca -0.23 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.07 3mbe n HIS 180 Cb 0.56 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 -0.56 6.55 0.00 0.41 0.15 -1.26 -3.74 113.70 115.25 3mbe s SER 181 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 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 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.19 3mbe n GLY 182 N 4.65 0.83 3.62 9.45 0.00 -1.26 -4.83 105.19 117.64 3mbe n GLY 182 Ca 0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 3.43 -0.30 1.61 1.01 -1.25 -1.05 120.40 121.85 3mbe s VAL 183 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.40 3mbe s VAL 183 Cb 0.00 -2.74 0.20 0.00 0.00 0.00 0.00 36.38 33.84 3mbe s VAL 183 CO 0.00 -0.17 0.61 0.00 0.00 0.00 0.00 175.10 175.54 3mbe s THR 185 N 2.73 4.93 -0.05 0.00 -4.23 -1.26 -2.82 115.64 114.93 3mbe s THR 185 Ca 0.11 0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.52 3mbe s THR 185 Cb -0.09 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 3mbe s THR 185 CO -0.24 -0.67 0.88 -1.81 -0.54 0.00 0.00 174.62 172.24 3mbe s ASP 186 N -3.77 7.19 0.43 3.99 1.01 -0.94 -4.95 116.67 119.63 3mbe s ASP 186 Ca 0.47 1.44 0.10 0.00 0.71 0.00 0.00 52.55 55.27 3mbe s ASP 186 Cb -0.10 -2.51 0.95 0.00 1.01 0.00 0.00 42.92 42.27 3mbe s ASP 186 CO 0.39 -0.25 2.05 -0.65 0.21 0.00 0.00 175.17 176.91 3mbe h PRO 187 N 6.87 0.45 -5.72 8.23 0.11 -1.96 -3.44 132.00 136.55 3mbe h PRO 187 Ca -0.39 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.21 3mbe h PRO 187 Cb 1.20 -0.10 -0.23 0.00 0.11 0.00 0.00 31.00 31.98 3mbe h PRO 187 CO 0.77 0.30 -0.81 -0.65 -0.21 0.00 0.00 178.00 177.40 3mbe s GLN 188 N -5.43 1.02 0.42 1.05 -1.52 -1.26 -5.13 119.66 108.81 3mbe s GLN 188 Ca -0.08 -0.98 -0.23 0.00 -1.95 0.00 0.00 55.36 52.12 3mbe s GLN 188 Cb 0.18 -1.13 -0.09 0.00 -0.22 0.00 0.00 33.01 31.75 3mbe s GLN 188 CO 0.73 0.27 1.05 0.00 -0.25 0.00 0.00 175.29 177.08 3mbe s ALA 189 N -1.08 3.03 -0.50 6.09 0.00 -1.26 -4.88 121.76 123.16 3mbe s ALA 189 Ca 0.03 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 3mbe s ALA 189 Cb -0.09 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.89 3mbe s ALA 189 CO 0.03 -0.23 0.30 0.71 0.00 0.00 0.00 175.76 176.56 3mbe s TYR 190 N -1.75 3.51 0.02 0.00 2.02 0.35 -4.89 117.35 116.61 3mbe s TYR 190 Ca 0.60 -2.55 -0.32 0.00 -0.37 0.00 0.00 57.07 54.43 3mbe s TYR 190 Cb -0.20 -3.21 -0.11 0.00 -0.40 0.00 0.00 41.96 38.04 3mbe s TYR 190 CO 0.25 -0.92 1.90 1.17 -1.57 0.00 0.00 175.55 176.39 3mbe n LYS 191 N 4.12 2.58 -0.07 -0.62 4.81 -1.26 -2.68 118.16 125.04 3mbe n LYS 191 Ca 0.02 0.94 -0.14 0.00 -0.87 0.00 0.00 58.31 58.26 3mbe n LYS 191 Cb 0.40 -2.84 -0.05 0.00 0.02 0.00 0.00 35.03 32.55 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 -3.62 1.64 0.28 -0.70 -4.98 120.64 120.22 3mbe n GLU 192 Ca 0.20 0.12 -0.20 0.00 -0.16 0.00 0.00 57.16 57.13 3mbe n GLU 192 Cb 0.36 -1.07 -0.02 0.00 1.43 0.00 0.00 31.44 32.14 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 -6.08 5.57 0.39 -1.84 0.01 -0.84 -4.98 113.70 105.94 3mbe s SER 193 Ca -0.20 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 56.79 3mbe s SER 193 Cb 0.07 -1.04 0.90 0.00 0.21 0.00 0.00 66.02 66.15 3mbe s SER 193 CO 0.27 -0.42 1.93 -1.13 0.41 0.00 0.00 173.24 174.30 3mbe h ASN 194 N 1.06 0.53 -0.66 2.44 -0.73 -2.03 -2.84 115.58 113.36 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 0.55 0.31 -0.99 -1.22 -0.37 0.00 0.00 177.43 175.71 3mbe n TYR 195 N -4.50 1.96 -3.70 0.67 4.02 -1.26 -5.03 117.16 109.32 3mbe n TYR 195 Ca 0.13 -2.27 -0.11 0.00 -0.01 0.00 0.00 57.90 55.64 3mbe n TYR 195 Cb 0.39 -0.28 -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 -3.66 -0.40 0.41 7.72 0.15 -1.07 -4.55 113.70 112.30 3mbe s SER 196 Ca 0.38 0.79 0.07 0.00 0.70 0.00 0.00 55.95 57.89 3mbe s SER 196 Cb 0.37 0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 65.34 3mbe s SER 196 CO -0.01 -0.19 0.17 -0.31 1.20 0.00 0.00 173.24 174.10 3mbe s TYR 197 N 1.48 2.60 -0.00 3.44 1.51 -0.59 -1.73 117.35 124.07 3mbe s TYR 197 Ca -0.09 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.35 3mbe s TYR 197 Cb -0.09 -1.95 -0.00 0.00 -0.11 0.00 0.00 41.96 39.80 3mbe s TYR 197 CO -0.12 0.20 0.06 -1.12 -1.11 0.00 0.00 175.55 173.47 3mbe s SER 198 N -3.90 0.07 -0.18 2.29 0.01 -1.09 -2.08 113.70 108.83 3mbe s SER 198 Ca 0.41 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 3mbe s SER 198 Cb 0.04 0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.49 3mbe s SER 198 CO 0.22 -0.24 0.44 -0.22 0.41 0.00 0.00 173.24 173.85 3mbe s LEU 199 N -0.97 -0.08 0.00 2.44 2.96 -0.83 -0.49 118.68 121.70 3mbe s LEU 199 Ca -0.11 0.94 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 3mbe s LEU 199 Cb -0.06 1.45 0.02 0.00 0.50 0.00 0.00 46.19 48.09 3mbe s LEU 199 CO 0.00 -0.19 0.13 -1.54 -1.32 0.00 0.00 176.35 173.44 3mbe n SER 200 N 4.02 2.48 0.00 3.68 3.41 -1.26 -1.27 113.62 124.68 3mbe n SER 200 Ca -0.21 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 3mbe n SER 200 Cb 0.56 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3mbe n SER 200 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3mbe n SER 201 N -1.56 0.00 -3.54 4.04 2.88 -0.71 -2.21 113.62 112.52 3mbe n SER 201 Ca -0.07 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.30 3mbe n SER 201 Cb 0.40 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 3mbe n SER 201 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mbe s ARG 202 N -2.00 1.00 0.10 -1.46 1.70 -1.13 -1.29 118.95 115.88 3mbe s ARG 202 Ca 0.00 0.35 0.08 0.00 -0.47 0.00 0.00 55.73 55.69 3mbe s ARG 202 Cb 0.00 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 3mbe s ARG 202 CO 0.00 -0.29 -0.20 -1.17 -1.08 0.00 0.00 175.30 172.56 3mbe s LEU 203 N -0.97 2.31 -0.05 -1.89 2.96 -0.88 -1.26 118.68 118.89 3mbe s LEU 203 Ca -0.09 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 3mbe s LEU 203 Cb -0.01 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.89 3mbe s LEU 203 CO 0.08 0.03 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.52 3mbe s ARG 204 N -1.95 0.73 0.07 1.98 3.52 -0.21 -1.40 118.95 121.68 3mbe s ARG 204 Ca 0.06 -0.02 0.06 0.00 -0.13 0.00 0.00 55.73 55.69 3mbe s ARG 204 Cb -0.10 -0.87 -0.03 0.00 -1.56 0.00 0.00 34.95 32.39 3mbe s ARG 204 CO 0.04 -0.16 -0.17 0.08 -0.81 0.00 0.00 175.30 174.28 3mbe s VAL 205 N 1.30 1.32 0.32 7.11 1.01 -0.54 -4.79 120.40 126.13 3mbe s VAL 205 Ca -0.05 -1.26 -0.28 0.00 0.00 0.00 0.00 61.98 60.39 3mbe s VAL 205 Cb -0.13 -1.21 -0.13 0.00 0.00 0.00 0.00 36.38 34.90 3mbe s VAL 205 CO -0.02 -0.06 1.20 -1.54 0.00 0.00 0.00 175.10 174.68 3mbe n SER 206 N 1.49 2.29 -0.28 3.32 3.41 -1.26 0.09 113.62 122.69 3mbe n SER 206 Ca -0.19 1.20 0.04 0.00 -0.26 0.00 0.00 58.87 59.66 3mbe n SER 206 Cb 0.54 -1.42 0.18 0.00 -0.26 0.00 0.00 64.21 63.25 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 2.38 1.16 -0.97 7.33 0.00 -1.18 -0.23 119.26 127.76 3mbe h ALA 207 Ca -0.44 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.64 3mbe h ALA 207 Cb 1.30 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3mbe h ALA 207 CO 0.62 -0.04 0.62 1.79 0.00 0.00 0.00 179.25 182.24 3mbe h THR 208 N 0.65 0.96 -0.27 0.00 1.35 -1.89 -1.10 112.91 112.61 3mbe h THR 208 Ca 0.41 -0.34 -0.17 0.00 -0.55 0.00 0.00 66.41 65.77 3mbe h THR 208 Cb 0.50 -0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 66.80 3mbe h THR 208 CO -0.31 0.18 -0.50 0.15 -0.25 0.00 0.00 175.52 174.79 3mbe h PHE 209 N 0.98 0.91 0.00 4.73 3.57 -1.41 -3.03 116.94 122.69 3mbe h PHE 209 Ca 0.46 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3mbe h PHE 209 Cb 0.43 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3mbe h PHE 209 CO -0.00 1.08 0.00 2.35 -2.23 0.00 0.00 178.31 179.51 3mbe h TRP 210 N 0.58 0.00 0.00 0.41 2.91 -0.54 -3.01 115.95 116.30 3mbe h TRP 210 Ca 0.02 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.87 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 -1.27 0.45 -1.03 0.00 0.00 178.44 176.65 3mbe h HIS 211 N 0.00 0.00 -2.16 2.65 3.86 -1.31 -2.63 115.15 115.55 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 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3mbe h HIS 211 CO 0.00 0.62 1.42 1.21 0.86 0.00 0.00 177.93 182.04 3mbe s ASN 212 N -5.96 5.67 0.00 2.45 3.84 -1.14 -3.07 114.94 116.73 3mbe s ASN 212 Ca -0.02 1.90 0.19 0.00 0.21 0.00 0.00 52.86 55.14 3mbe s ASN 212 Cb 0.08 -2.52 1.15 0.00 -0.55 0.00 0.00 41.25 39.42 3mbe s ASN 212 CO 0.80 -1.79 1.54 -2.65 -2.79 0.00 0.00 177.10 172.21 3mbe n PRO 213 N 8.52 0.60 0.15 0.43 -0.02 -1.26 -1.80 135.00 141.61 3mbe n PRO 213 Ca 0.27 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3mbe n PRO 213 Cb 0.45 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.49 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 -6.38 -0.52 2.43 -1.87 -3.40 114.38 104.64 3mbe h ARG 214 Ca 0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 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 0.20 -0.80 -1.51 0.00 0.00 179.97 177.86 3mbe s ASN 215 N -5.67 7.29 -0.03 -3.80 0.01 -0.75 -4.99 114.94 107.00 3mbe s ASN 215 Ca 0.02 1.54 0.06 0.00 -0.71 0.00 0.00 52.86 53.78 3mbe s ASN 215 Cb 0.08 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 3mbe s ASN 215 CO 0.74 0.03 -0.22 -2.28 -1.51 0.00 0.00 177.10 173.86 3mbe s HIS 216 N -0.19 2.06 -0.16 2.20 5.65 -1.26 -2.33 115.29 121.26 3mbe s HIS 216 Ca 0.40 -0.48 0.00 0.00 0.25 0.00 0.00 55.06 55.23 3mbe s HIS 216 Cb -0.21 -1.34 0.03 0.00 -1.18 0.00 0.00 32.58 29.88 3mbe s HIS 216 CO 0.25 -0.10 -0.10 -0.06 -0.65 0.00 0.00 174.74 174.07 3mbe s PHE 217 N -0.35 2.00 -0.07 3.88 0.08 -0.02 -0.86 117.98 122.64 3mbe s PHE 217 Ca 0.04 -1.18 0.03 0.00 0.12 0.00 0.00 56.93 55.94 3mbe s PHE 217 Cb -0.10 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 3mbe s PHE 217 CO 0.01 -0.64 -0.16 0.50 -0.10 0.00 0.00 175.22 174.82 3mbe s ARG 218 N 1.54 2.02 -0.18 0.44 3.52 -1.09 -0.78 118.95 124.42 3mbe s ARG 218 Ca 0.03 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 55.00 3mbe s ARG 218 Cb -0.14 -1.64 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 3mbe s ARG 218 CO -0.09 0.12 0.00 0.00 -0.81 0.00 0.00 175.30 174.53 3mbe s GLN 220 N 0.56 2.82 -0.10 0.00 0.74 0.16 -2.78 119.66 121.05 3mbe s GLN 220 Ca -0.01 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.63 3mbe s GLN 220 Cb -0.14 -2.28 -0.02 0.00 1.10 0.00 0.00 33.01 31.67 3mbe s GLN 220 CO 0.02 -0.01 -0.12 0.08 -0.55 0.00 0.00 175.29 174.72 3mbe s VAL 221 N 0.81 3.23 -0.43 1.34 1.01 -0.18 0.00 120.40 126.18 3mbe s VAL 221 Ca -0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3mbe s VAL 221 Cb -0.16 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.01 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 -0.10 2.00 0.44 2.72 0.74 0.03 -1.01 119.66 124.47 3mbe s GLN 222 Ca -0.01 -1.95 -0.24 0.00 0.05 0.00 0.00 55.36 53.22 3mbe s GLN 222 Cb -0.14 -3.54 -0.08 0.00 1.10 0.00 0.00 33.01 30.35 3mbe s GLN 222 CO 0.03 -1.07 1.16 0.12 -0.55 0.00 0.00 175.29 174.98 3mbe s PHE 223 N 0.90 2.96 -0.41 1.67 5.36 -0.66 -2.67 117.98 125.14 3mbe s PHE 223 Ca 0.10 1.55 -0.00 0.00 -0.96 0.00 0.00 56.93 57.62 3mbe s PHE 223 Cb -0.22 -3.36 0.11 0.00 -0.34 0.00 0.00 43.02 39.21 3mbe s PHE 223 CO -0.04 -1.37 0.18 -1.01 -1.46 0.00 0.00 175.22 171.51 3mbe s HIS 224 N -1.52 3.61 0.00 10.12 3.76 -1.14 -2.52 115.29 127.60 3mbe s HIS 224 Ca 0.61 -2.66 0.00 0.00 -0.15 0.00 0.00 55.06 52.86 3mbe s HIS 224 Cb -0.29 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.29 3mbe s HIS 224 CO 0.35 -0.94 0.00 0.41 -0.85 0.00 0.00 174.74 173.71 3mbe n GLY 225 N 4.32 4.39 3.91 -2.22 0.00 -1.25 -4.78 105.19 109.56 3mbe n GLY 225 Ca 0.01 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 2.74 0.39 0.99 1.43 -0.96 -4.63 118.68 118.64 3mbe s LEU 226 Ca 0.00 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 3mbe s LEU 226 Cb 0.00 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 3mbe s LEU 226 CO 0.00 -1.65 0.08 -0.55 0.23 0.00 0.00 176.35 174.46 3mbe s SER 227 N -4.51 2.85 0.30 2.29 0.15 -1.26 -3.68 113.70 109.84 3mbe s SER 227 Ca 0.60 -1.56 0.05 0.00 0.70 0.00 0.00 55.95 55.74 3mbe s SER 227 Cb -0.11 0.28 0.72 0.00 -1.71 0.00 0.00 66.02 65.20 3mbe s SER 227 CO 0.47 -0.80 1.77 -0.33 1.20 0.00 0.00 173.24 175.55 3mbe h GLU 228 N 1.84 0.69 0.00 5.44 3.07 -2.04 0.41 114.58 124.00 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 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3mbe h GLU 228 CO 0.64 0.46 0.09 1.49 -1.40 0.00 0.00 179.01 180.29 3mbe h GLU 229 N 0.71 0.00 -6.04 2.33 4.81 -2.04 -3.42 114.58 110.92 3mbe h GLU 229 Ca 0.57 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 59.22 3mbe h GLU 229 Cb 0.90 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 3mbe h GLU 229 CO -0.40 0.00 -0.06 -0.51 -0.73 0.00 0.00 179.01 177.32 3mbe s ASP 230 N -4.88 6.92 -0.00 1.04 1.11 0.15 -5.04 116.67 115.97 3mbe s ASP 230 Ca -0.04 1.10 -0.30 0.00 0.18 0.00 0.00 52.55 53.49 3mbe s ASP 230 Cb 0.11 -2.34 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 3mbe s ASP 230 CO 0.36 0.14 0.98 -0.54 1.18 0.00 0.00 175.17 177.29 3mbe s LYS 231 N -0.30 4.56 -0.04 8.23 1.02 -1.26 -4.84 119.74 127.11 3mbe s LYS 231 Ca 0.29 1.42 0.01 0.00 0.02 0.00 0.00 55.97 57.71 3mbe s LYS 231 Cb -0.18 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 33.69 3mbe s LYS 231 CO 0.16 -0.05 -0.04 -0.46 -0.92 0.00 0.00 175.35 174.04 3mbe s TRP 232 N 1.02 0.66 0.25 3.18 -0.11 -1.26 -5.09 118.94 117.59 3mbe s TRP 232 Ca 0.52 -0.16 -0.04 0.00 1.22 0.00 0.00 56.10 57.64 3mbe s TRP 232 Cb -0.21 -0.59 0.06 0.00 -1.50 0.00 0.00 33.47 31.23 3mbe s TRP 232 CO 0.28 -0.16 0.13 -2.30 -4.62 0.00 0.00 176.95 170.28 3mbe n PRO 233 N 3.92 -1.14 -0.02 5.86 -0.02 -1.26 -4.98 135.00 137.35 3mbe n PRO 233 Ca -0.25 -0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 60.88 3mbe n PRO 233 Cb 0.51 -0.35 -0.14 0.00 -0.02 0.00 0.00 33.50 33.50 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 -1.71 0.69 0.00 -0.52 1.02 -1.26 -4.78 120.64 114.08 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 0.09 -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 1.78 -1.45 3.73 0.62 0.00 -1.26 -4.89 105.19 103.72 3mbe n GLY 235 Ca -0.25 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 -1.73 3.98 0.41 1.61 0.01 -1.26 -5.01 113.70 111.72 3mbe s SER 236 Ca 0.00 2.10 -0.24 0.00 1.31 0.00 0.00 55.95 59.12 3mbe s SER 236 Cb 0.00 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 3mbe s SER 236 CO 0.00 -2.39 1.09 -2.84 0.41 0.00 0.00 173.24 169.51 3mbe s PRO 237 N -4.46 4.05 0.28 12.44 0.02 -1.26 -4.87 135.00 141.19 3mbe s PRO 237 Ca 0.67 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 3mbe s PRO 237 Cb -0.22 -2.53 -0.10 0.00 0.02 0.00 0.00 34.50 31.66 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 -2.51 4.29 -0.22 5.54 2.20 -1.26 -4.92 119.74 122.86 3mbe s LYS 238 Ca 0.59 2.28 -0.06 0.00 -0.36 0.00 0.00 55.97 58.43 3mbe s LYS 238 Cb -0.25 -3.09 -0.17 0.00 -1.51 0.00 0.00 37.83 32.81 3mbe s LYS 238 CO 0.31 -0.36 3.35 -2.30 -0.36 0.00 0.00 175.35 175.99 3mbe n PRO 239 N 1.83 2.24 0.00 4.03 -0.02 -1.26 -4.96 135.00 136.85 3mbe n PRO 239 Ca 0.05 -1.46 0.00 0.00 -2.02 0.00 0.00 63.50 60.06 3mbe n PRO 239 Cb 0.41 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.11 0.00 -3.29 -1.45 0.24 -1.26 -2.26 118.33 112.41 3mbe n VAL 240 Ca 0.47 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.37 3mbe n VAL 240 Cb 0.78 -0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.94 5.10 0.08 3.34 2.01 -1.24 -3.86 115.64 120.14 3mbe s THR 241 Ca 0.00 0.78 0.01 0.00 0.31 0.00 0.00 61.69 62.79 3mbe s THR 241 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3mbe s THR 241 CO 0.00 0.11 -0.06 0.00 -0.69 0.00 0.00 174.62 173.98 3mbe s GLN 242 N 2.22 0.76 -0.84 4.92 -2.07 -1.05 -4.94 119.66 118.67 3mbe s GLN 242 Ca 0.19 -1.26 -0.14 0.00 -1.82 0.00 0.00 55.36 52.33 3mbe s GLN 242 Cb -0.16 -0.11 0.22 0.00 -1.09 0.00 0.00 33.01 31.87 3mbe s GLN 242 CO 0.09 -0.03 0.78 -0.80 -1.32 0.00 0.00 175.29 174.01 3mbe s ASN 243 N -2.90 6.78 0.00 12.60 0.01 -1.26 -1.65 114.94 128.52 3mbe s ASN 243 Ca 0.09 -2.72 -0.21 0.00 -0.71 0.00 0.00 52.86 49.31 3mbe s ASN 243 Cb 0.05 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 3mbe s ASN 243 CO -0.06 -0.57 0.63 -0.63 -1.51 0.00 0.00 177.10 174.97 3mbe s ILE 244 N 0.13 4.88 0.40 0.60 1.01 -0.18 -4.92 121.20 123.11 3mbe s ILE 244 Ca 0.18 1.32 0.04 0.00 0.00 0.00 0.00 60.65 62.19 3mbe s ILE 244 Cb -0.10 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3mbe s ILE 244 CO -0.09 0.41 0.13 -0.55 0.00 0.00 0.00 174.94 174.84 3mbe s SER 245 N -0.15 2.68 -0.29 3.58 0.15 -1.26 -1.01 113.70 117.39 3mbe s SER 245 Ca 0.33 -1.66 -0.16 0.00 0.70 0.00 0.00 55.95 55.15 3mbe s SER 245 Cb -0.19 0.48 0.17 0.00 -1.71 0.00 0.00 66.02 64.78 3mbe s SER 245 CO 0.18 -0.92 1.10 0.00 1.20 0.00 0.00 173.24 174.80 3mbe s ALA 246 N -3.24 -2.56 0.42 5.45 0.00 -1.12 -4.81 121.76 115.91 3mbe s ALA 246 Ca 0.25 2.07 0.04 0.00 0.00 0.00 0.00 51.96 54.33 3mbe s ALA 246 Cb 0.03 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3mbe s ALA 246 CO 0.15 -0.48 0.14 -1.83 0.00 0.00 0.00 175.76 173.74 3mbe s GLU 247 N 1.48 1.98 -0.08 0.00 -1.05 -1.26 -1.85 118.70 117.91 3mbe s GLU 247 Ca -0.07 -2.22 -0.30 0.00 -0.15 0.00 0.00 54.97 52.23 3mbe s GLU 247 Cb -0.03 -0.59 0.11 0.00 -0.44 0.00 0.00 34.13 33.18 3mbe s GLU 247 CO -0.14 -0.52 0.96 0.00 0.95 0.00 0.00 175.26 176.52 3mbe s ALA 248 N -3.18 -1.89 0.53 -0.84 0.00 0.04 -4.96 121.76 111.47 3mbe s ALA 248 Ca 0.22 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.51 3mbe s ALA 248 Cb 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3mbe s ALA 248 CO 0.15 -0.55 0.33 -1.58 0.00 0.00 0.00 175.76 174.11 3mbe s TRP 249 N -2.34 1.77 0.50 0.00 0.52 -1.26 -0.84 118.94 117.28 3mbe s TRP 249 Ca 0.03 -0.83 -0.08 0.00 0.02 0.00 0.00 56.10 55.24 3mbe s TRP 249 Cb -0.01 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.38 3mbe s TRP 249 CO -0.05 -0.32 0.85 0.20 0.02 0.00 0.00 176.95 177.65 3mbe s GLY 250 N -4.19 1.66 0.15 0.98 0.00 -0.98 -4.92 107.32 100.01 3mbe s GLY 250 Ca 0.31 -0.31 -0.24 0.00 0.00 0.00 0.00 44.72 44.48 3mbe s GLY 250 CO 0.19 -0.11 1.03 1.09 0.00 0.00 0.00 173.10 175.30 3mbe s ARG 251 N -4.63 1.15 0.00 2.90 1.70 -0.99 -4.15 118.95 114.93 3mbe s ARG 251 Ca 0.51 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 55.08 3mbe s ARG 251 Cb -0.10 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 3mbe s ARG 251 CO 0.44 -0.53 0.43 0.00 -1.08 0.00 0.00 175.30 174.55