#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vit s VAL 17 N 0.00 4.95 -0.85 1.39 1.01 0.37 -4.29 120.40 122.98 1vit s VAL 17 Ca 0.00 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 1vit s VAL 17 Cb 0.00 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1vit s VAL 17 CO 0.00 0.06 0.72 -0.62 0.00 0.00 0.00 175.10 175.25 1vit n GLU 18 N 5.24 -3.72 -4.54 2.72 -0.58 -1.26 -0.98 120.64 117.51 1vit n GLU 18 Ca 0.02 0.63 -0.26 0.00 -0.42 0.00 0.00 57.16 57.13 1vit n GLU 18 Cb 0.49 -4.89 -0.09 0.00 -0.57 0.00 0.00 31.44 26.39 1vit n GLU 18 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1vit s GLY 19 N -3.74 2.52 0.52 0.62 0.00 -1.26 -4.55 107.32 101.43 1vit s GLY 19 Ca 0.12 -1.40 0.08 0.00 0.00 0.00 0.00 44.72 43.53 1vit s GLY 19 CO 0.54 -1.91 0.59 1.20 0.00 0.00 0.00 173.10 173.53 1vit s GLN 20 N -3.79 2.39 -0.13 2.90 1.11 -0.13 -4.86 119.66 117.15 1vit s GLN 20 Ca 0.25 -1.68 -0.23 0.00 0.01 0.00 0.00 55.36 53.71 1vit s GLN 20 Cb 0.05 -2.47 -0.03 0.00 -1.01 0.00 0.00 33.01 29.55 1vit s GLN 20 CO 0.13 -0.62 0.71 -0.51 0.01 0.00 0.00 175.29 175.02 1vit s ASP 21 N -4.44 6.89 0.63 5.90 1.11 -1.26 -1.17 116.67 124.33 1vit s ASP 21 Ca 0.51 1.08 -0.19 0.00 0.18 0.00 0.00 52.55 54.14 1vit s ASP 21 Cb -0.05 -2.40 -0.02 0.00 1.07 0.00 0.00 42.92 41.52 1vit s ASP 21 CO 0.32 -0.23 1.28 0.00 1.18 0.00 0.00 175.17 177.71 1vit s ALA 22 N 1.46 2.45 0.66 5.23 0.00 0.00 -4.86 121.76 126.71 1vit s ALA 22 Ca 0.35 1.19 -0.09 0.00 0.00 0.00 0.00 51.96 53.40 1vit s ALA 22 Cb -0.17 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1vit s ALA 22 CO 0.14 -1.49 1.02 -1.21 0.00 0.00 0.00 175.76 174.22 1vit s GLU 23 N -3.33 2.86 -0.28 0.00 2.02 -1.26 -4.83 118.70 113.87 1vit s GLU 23 Ca 0.81 0.25 -0.29 0.00 0.02 0.00 0.00 54.97 55.76 1vit s GLU 23 Cb -0.36 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.73 1vit s GLU 23 CO 0.39 -0.91 1.51 0.08 0.02 0.00 0.00 175.26 176.35 1vit s VAL 24 N -3.21 3.84 0.00 2.63 1.01 -1.26 -2.19 120.40 121.22 1vit s VAL 24 Ca 0.56 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1vit s VAL 24 Cb -0.11 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1vit s VAL 24 CO 0.49 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1vit n GLY 25 N 4.69 0.72 0.33 4.51 0.00 -1.26 -4.94 105.19 109.24 1vit n GLY 25 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 1vit n GLY 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vit h LEU 26 N 0.00 0.00 -5.77 0.99 6.46 -1.81 -3.30 115.31 111.87 1vit h LEU 26 Ca 0.00 0.00 -0.43 0.00 -0.12 0.00 0.00 57.88 57.33 1vit h LEU 26 Cb 0.00 0.00 -0.30 0.00 -0.73 0.00 0.00 40.66 39.63 1vit h LEU 26 CO 0.00 0.00 -0.84 -0.24 -0.62 0.00 0.00 178.44 176.74 1vit n SER 27 N -3.39 -1.31 0.00 1.25 2.88 -1.26 -4.99 113.62 106.81 1vit n SER 27 Ca -0.01 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 1vit n SER 27 Cb 0.21 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1vit n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1vit n PRO 28 N 2.30 0.00 -0.08 -1.46 -0.04 -1.25 -2.00 135.00 132.48 1vit n PRO 28 Ca 0.22 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.98 1vit n PRO 28 Cb 0.53 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 1vit n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1vit n TRP 29 N -1.20 0.20 -2.28 0.54 2.14 -1.18 -0.38 117.44 115.27 1vit n TRP 29 Ca 0.00 -0.13 -0.38 0.00 2.07 0.00 0.00 57.50 59.06 1vit n TRP 29 Cb 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.48 1vit n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1vit s GLN 30 N -1.39 4.09 -0.01 -2.67 2.00 -0.85 -1.17 119.66 119.66 1vit s GLN 30 Ca 0.26 1.87 -0.03 0.00 -2.00 0.00 0.00 55.36 55.46 1vit s GLN 30 Cb 0.16 -2.72 -0.00 0.00 0.80 0.00 0.00 33.01 31.25 1vit s GLN 30 CO 0.24 -0.30 0.06 0.08 -0.50 0.00 0.00 175.29 174.87 1vit s VAL 31 N -1.38 0.05 -0.21 1.34 1.01 -0.86 -3.74 120.40 116.62 1vit s VAL 31 Ca 0.56 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1vit s VAL 31 Cb -0.32 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 35.89 1vit s VAL 31 CO 0.40 -0.22 -0.09 0.00 0.00 0.00 0.00 175.10 175.19 1vit s MET 32 N -0.68 1.96 -0.55 2.72 0.23 -0.17 0.15 119.30 122.96 1vit s MET 32 Ca -0.08 -0.88 -0.27 0.00 -1.03 0.00 0.00 55.69 53.44 1vit s MET 32 Cb -0.05 -2.45 -0.04 0.00 -1.53 0.00 0.00 34.83 30.76 1vit s MET 32 CO 0.00 -0.46 2.03 -0.51 -2.03 0.00 0.00 175.02 174.05 1vit s LEU 33 N 1.39 3.34 0.16 0.18 1.02 0.32 -2.49 118.68 122.60 1vit s LEU 33 Ca -0.02 0.67 -0.10 0.00 0.02 0.00 0.00 54.13 54.69 1vit s LEU 33 Cb -0.17 -2.62 -0.07 0.00 0.02 0.00 0.00 46.19 43.36 1vit s LEU 33 CO -0.08 -2.48 0.49 0.12 0.02 0.00 0.00 176.35 174.43 1vit s PHE 34 N 9.86 3.51 -0.03 0.29 5.36 -0.03 -0.51 117.98 136.44 1vit s PHE 34 Ca 0.78 0.86 -0.13 0.00 -0.96 0.00 0.00 56.93 57.48 1vit s PHE 34 Cb -0.15 -2.23 -0.05 0.00 -0.34 0.00 0.00 43.02 40.25 1vit s PHE 34 CO 0.24 0.39 0.34 0.50 -1.46 0.00 0.00 175.22 175.23 1vit s ARG 35 N -2.38 3.80 -0.01 10.12 3.52 0.38 -2.20 118.95 132.18 1vit s ARG 35 Ca 0.41 0.28 -0.06 0.00 -0.13 0.00 0.00 55.73 56.22 1vit s ARG 35 Cb -0.13 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1vit s ARG 35 CO 0.20 0.71 0.57 0.87 -0.81 0.00 0.00 175.30 176.84 1vit h LYS 36 N 4.74 -0.22 -3.29 5.12 1.57 -1.78 -3.22 116.57 119.48 1vit h LYS 36 Ca -0.52 0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 57.91 1vit h LYS 36 Cb 1.22 0.05 -0.39 0.00 0.08 0.00 0.00 32.23 33.19 1vit h LYS 36 CO 0.61 -0.15 -0.73 0.45 -0.57 0.00 0.00 179.45 179.05 1vit s SER 36 N -3.36 1.13 0.52 0.86 0.15 -1.26 -2.05 113.70 109.69 1vit s SER 36 Ca -0.03 0.09 -0.20 0.00 0.70 0.00 0.00 55.95 56.51 1vit s SER 36 Cb 0.00 -0.11 -0.07 0.00 -1.71 0.00 0.00 66.02 64.13 1vit s SER 36 CO 0.10 -0.25 1.08 -2.16 1.20 0.00 0.00 173.24 173.21 1vit s PRO 37 N 2.18 3.58 -0.67 5.44 0.04 -1.26 -5.06 135.00 139.24 1vit s PRO 37 Ca 0.05 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.28 1vit s PRO 37 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1vit s PRO 37 CO -0.03 -0.63 1.57 1.14 0.04 0.00 0.00 177.00 179.09 1vit s GLN 38 N -3.29 2.92 0.03 4.56 -2.07 -0.87 -4.59 119.66 116.35 1vit s GLN 38 Ca 0.70 0.20 -0.03 0.00 -1.82 0.00 0.00 55.36 54.41 1vit s GLN 38 Cb -0.20 -4.28 -0.02 0.00 -1.09 0.00 0.00 33.01 27.42 1vit s GLN 38 CO 0.24 -2.43 0.04 -1.83 -1.32 0.00 0.00 175.29 169.98 1vit s GLU 39 N 6.37 0.50 -0.10 9.60 -1.05 -1.22 -4.92 118.70 127.88 1vit s GLU 39 Ca 0.52 -0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 54.27 1vit s GLU 39 Cb -0.10 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1vit s GLU 39 CO 0.18 -0.11 1.24 -1.17 0.95 0.00 0.00 175.26 176.36 1vit s LEU 40 N -2.01 4.23 -0.12 1.83 2.96 -1.26 -0.47 118.68 123.84 1vit s LEU 40 Ca -0.07 1.78 -0.08 0.00 -0.22 0.00 0.00 54.13 55.54 1vit s LEU 40 Cb -0.03 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1vit s LEU 40 CO -0.04 -0.68 -0.15 -0.07 -1.32 0.00 0.00 176.35 174.09 1vit h LEU 41 N 8.95 0.00 0.00 -0.68 3.38 -1.13 -3.48 115.31 122.35 1vit h LEU 41 Ca -0.31 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 1vit h LEU 41 Cb 1.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1vit h LEU 41 CO 0.92 0.65 0.03 0.00 0.09 0.00 0.00 178.44 180.13 1vit s GLY 43 N -3.02 1.53 0.22 0.00 0.00 0.85 -0.52 107.32 106.37 1vit s GLY 43 Ca 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1vit s GLY 43 CO 0.16 -1.39 0.29 0.00 0.00 0.00 0.00 173.10 172.15 1vit n ALA 44 N -1.49 -0.07 -3.07 3.20 0.00 0.41 -3.01 120.51 116.47 1vit n ALA 44 Ca -0.03 -1.09 -0.13 0.00 0.00 0.00 0.00 53.44 52.20 1vit n ALA 44 Cb 0.58 0.88 -0.12 0.00 0.00 0.00 0.00 19.45 20.79 1vit n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vit s SER 45 N -2.41 -0.19 -0.32 0.00 0.15 -0.28 -2.02 113.70 108.63 1vit s SER 45 Ca 0.20 0.38 -0.17 0.00 0.70 0.00 0.00 55.95 57.06 1vit s SER 45 Cb -0.00 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1vit s SER 45 CO 0.14 -0.07 0.45 -0.76 1.20 0.00 0.00 173.24 174.21 1vit s LEU 46 N 0.11 4.25 -0.00 3.45 1.43 -0.32 0.10 118.68 127.70 1vit s LEU 46 Ca -0.00 0.08 0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1vit s LEU 46 Cb -0.01 -2.51 -0.15 0.00 0.03 0.00 0.00 46.19 43.55 1vit s LEU 46 CO 0.00 -0.35 0.48 2.30 0.23 0.00 0.00 176.35 179.01 1vit n ILE 47 N 5.28 0.00 -3.89 -0.59 -5.35 -1.12 -0.72 119.36 112.96 1vit n ILE 47 Ca -0.06 -0.22 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 1vit n ILE 47 Cb 0.50 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 1vit n ILE 47 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1vit s SER 48 N -2.45 0.27 0.00 7.28 0.01 -1.24 -4.75 113.70 112.82 1vit s SER 48 Ca 0.03 -1.23 0.24 0.00 1.31 0.00 0.00 55.95 56.29 1vit s SER 48 Cb 0.09 0.79 1.04 0.00 0.21 0.00 0.00 66.02 68.16 1vit s SER 48 CO 0.52 -1.57 1.76 0.47 0.41 0.00 0.00 173.24 174.83 1vit n ASP 49 N -1.39 0.00 -0.06 2.44 8.00 -1.26 -3.73 116.55 120.55 1vit n ASP 49 Ca -0.06 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1vit n ASP 49 Cb 0.60 -0.46 0.01 0.00 -0.02 0.00 0.00 41.12 41.25 1vit n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1vit n ARG 50 N -1.46 0.73 -4.60 -1.24 0.63 -1.26 -2.51 116.66 106.96 1vit n ARG 50 Ca 0.07 -0.88 -0.23 0.00 -0.92 0.00 0.00 57.85 55.88 1vit n ARG 50 Cb 0.26 -0.66 -0.16 0.00 0.45 0.00 0.00 32.46 32.35 1vit n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1vit s TRP 51 N -0.35 1.35 -0.08 -0.14 0.52 -1.24 -0.29 118.94 118.70 1vit s TRP 51 Ca 0.01 -0.39 -0.00 0.00 0.02 0.00 0.00 56.10 55.74 1vit s TRP 51 Cb 0.01 -0.94 0.02 0.00 -1.15 0.00 0.00 33.47 31.42 1vit s TRP 51 CO 0.00 -0.16 -0.05 0.08 0.02 0.00 0.00 176.95 176.84 1vit s VAL 52 N 0.23 0.76 -0.02 4.03 1.01 -0.42 -2.80 120.40 123.19 1vit s VAL 52 Ca -0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1vit s VAL 52 Cb -0.11 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1vit s VAL 52 CO 0.02 0.31 0.48 -0.22 0.00 0.00 0.00 175.10 175.68 1vit s LEU 53 N 1.48 4.42 0.00 3.92 2.96 0.11 -1.31 118.68 130.26 1vit s LEU 53 Ca -0.01 1.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 1vit s LEU 53 Cb -0.13 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.84 1vit s LEU 53 CO -0.04 0.20 0.31 1.07 -1.32 0.00 0.00 176.35 176.57 1vit n THR 54 N 2.44 0.00 -3.51 3.68 5.66 -0.22 -1.12 114.28 121.21 1vit n THR 54 Ca -0.10 -1.56 -0.37 0.00 -3.05 0.00 0.00 64.05 58.97 1vit n THR 54 Cb 0.52 0.88 -0.08 0.00 -1.55 0.00 0.00 70.33 70.10 1vit n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vit s ALA 55 N -2.71 3.58 0.59 1.79 0.00 -1.26 -0.59 121.76 123.16 1vit s ALA 55 Ca 0.25 -0.55 0.18 0.00 0.00 0.00 0.00 51.96 51.84 1vit s ALA 55 Cb 0.00 -2.46 0.96 0.00 0.00 0.00 0.00 23.12 21.62 1vit s ALA 55 CO 0.18 -0.09 1.52 0.00 0.00 0.00 0.00 175.76 177.38 1vit h ALA 56 N 7.05 1.54 0.00 0.00 0.00 -1.71 0.31 119.26 126.44 1vit h ALA 56 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1vit h ALA 56 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1vit h ALA 56 CO 0.73 -0.54 -0.17 -2.39 0.00 0.00 0.00 179.25 176.88 1vit n HIS 57 N -2.63 0.54 1.25 0.00 1.44 -1.26 -1.30 115.22 113.26 1vit n HIS 57 Ca -0.01 0.16 0.14 0.00 -2.01 0.00 0.00 57.72 55.99 1vit n HIS 57 Cb 0.58 -0.71 0.68 0.00 0.12 0.00 0.00 29.99 30.66 1vit n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1vit n LEU 59 N -1.32 1.69 -3.94 0.00 4.77 -1.18 -4.90 117.00 112.12 1vit n LEU 59 Ca 0.12 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 1vit n LEU 59 Cb 0.23 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 1vit n LEU 59 CO 0.22 0.25 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.98 1vit s LEU 60 N -4.58 4.02 0.18 2.23 2.96 -0.42 -2.15 118.68 120.92 1vit s LEU 60 Ca 0.00 -2.00 -0.04 0.00 -0.22 0.00 0.00 54.13 51.87 1vit s LEU 60 Cb 0.00 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1vit s LEU 60 CO 0.00 -0.39 0.19 -0.47 -1.32 0.00 0.00 176.35 174.36 1vit s TYR 60 N 1.11 0.79 0.00 5.38 5.04 0.79 -4.37 117.35 126.09 1vit s TYR 60 Ca 0.10 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.63 1vit s TYR 60 Cb -0.18 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 41.81 1vit s TYR 60 CO -0.13 -0.67 0.00 -2.30 -1.34 0.00 0.00 175.55 171.11 1vit n PRO 60 N -0.22 0.00 -0.07 4.97 -0.02 -1.26 -0.32 135.00 138.08 1vit n PRO 60 Ca -0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.44 1vit n PRO 60 Cb 0.64 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.13 1vit n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1vit n TRP 60 N 0.00 0.18 -1.21 6.00 7.02 -1.26 -4.78 117.44 123.39 1vit n TRP 60 Ca 0.00 -0.47 -0.09 0.00 -1.02 0.00 0.00 57.50 55.92 1vit n TRP 60 Cb 0.00 -0.26 -0.04 0.00 -2.42 0.00 0.00 31.31 28.59 1vit n TRP 60 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1vit n ASP 60 N 0.32 -2.61 -4.69 -0.99 5.68 -0.98 -4.88 116.55 108.40 1vit n ASP 60 Ca 0.03 0.22 -0.42 0.00 -0.50 0.00 0.00 54.79 54.12 1vit n ASP 60 Cb 0.52 -2.49 -0.03 0.00 -1.14 0.00 0.00 41.12 37.98 1vit n ASP 60 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1vit s LYS 60 N -2.66 4.29 -0.36 0.11 1.02 0.57 -4.91 119.74 117.80 1vit s LYS 60 Ca 0.00 1.97 -0.06 0.00 0.02 0.00 0.00 55.97 57.90 1vit s LYS 60 Cb 0.00 -3.52 0.20 0.00 -0.52 0.00 0.00 37.83 33.99 1vit s LYS 60 CO 0.00 -0.54 1.03 1.21 -0.92 0.00 0.00 175.35 176.12 1vit s ASN 60 N 1.75 -0.47 0.64 2.83 2.47 -1.10 -0.15 114.94 120.92 1vit s ASN 60 Ca 0.64 -0.44 -0.11 0.00 0.42 0.00 0.00 52.86 53.37 1vit s ASN 60 Cb -0.32 0.60 -0.02 0.00 -1.45 0.00 0.00 41.25 40.06 1vit s ASN 60 CO 0.27 -0.03 1.04 -0.36 -3.72 0.00 0.00 177.10 174.30 1vit s PHE 60 N 1.31 3.52 0.55 0.43 0.40 -0.91 -5.04 117.98 118.23 1vit s PHE 60 Ca 0.21 1.17 0.04 0.00 -0.60 0.00 0.00 56.93 57.76 1vit s PHE 60 Cb 0.08 -2.82 0.04 0.00 0.51 0.00 0.00 43.02 40.83 1vit s PHE 60 CO -0.11 -0.84 0.35 0.95 0.70 0.00 0.00 175.22 176.27 1vit s THR 60 N -3.22 1.48 -0.31 0.64 -4.23 -1.26 -4.99 115.64 103.76 1vit s THR 60 Ca 0.56 -1.57 0.27 0.00 -1.18 0.00 0.00 61.69 59.77 1vit s THR 60 Cb -0.11 -2.05 0.34 0.00 1.34 0.00 0.00 72.50 72.02 1vit s THR 60 CO 0.53 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.95 1vit h VAL 61 N 0.79 0.00 -0.00 2.29 2.07 -1.96 -2.66 116.25 116.78 1vit h VAL 61 Ca -0.37 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1vit h VAL 61 Cb 1.31 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1vit h VAL 61 CO 0.59 0.00 -0.10 0.47 0.02 0.00 0.00 177.57 178.55 1vit n ASP 62 N -2.91 0.10 0.01 0.57 8.00 -1.26 -3.61 116.55 117.45 1vit n ASP 62 Ca 0.03 0.33 -0.20 0.00 0.71 0.00 0.00 54.79 55.66 1vit n ASP 62 Cb 0.42 -0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 41.03 1vit n ASP 62 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1vit h ASP 63 N 0.00 0.36 -4.21 -2.24 5.19 -1.86 -3.47 116.42 110.19 1vit h ASP 63 Ca 0.00 -0.88 -0.48 0.00 -0.62 0.00 0.00 57.03 55.04 1vit h ASP 63 Cb 0.50 -0.12 0.04 0.00 0.18 0.00 0.00 39.33 39.93 1vit h ASP 63 CO 0.00 1.47 0.38 -0.76 -3.12 0.00 0.00 179.24 177.21 1vit s LEU 64 N -7.76 3.53 -0.14 1.55 1.43 -1.24 -2.28 118.68 113.78 1vit s LEU 64 Ca -0.18 1.64 -0.06 0.00 -1.03 0.00 0.00 54.13 54.50 1vit s LEU 64 Cb 0.02 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.79 1vit s LEU 64 CO 0.78 -0.84 0.31 -0.22 0.23 0.00 0.00 176.35 176.61 1vit s LEU 65 N -4.36 -0.04 -0.24 1.79 2.96 -0.94 -4.67 118.68 113.19 1vit s LEU 65 Ca 0.60 0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 55.08 1vit s LEU 65 Cb -0.12 0.94 -0.05 0.00 0.50 0.00 0.00 46.19 47.46 1vit s LEU 65 CO 0.36 -0.20 0.20 -0.69 -1.32 0.00 0.00 176.35 174.70 1vit s VAL 66 N 1.80 5.33 -0.26 1.68 1.01 -0.77 -0.85 120.40 128.34 1vit s VAL 66 Ca -0.05 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1vit s VAL 66 Cb -0.11 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1vit s VAL 66 CO -0.10 0.32 -0.01 -0.13 0.00 0.00 0.00 175.10 175.18 1vit s ARG 67 N 1.16 3.06 0.10 2.72 1.81 -1.04 -1.02 118.95 125.73 1vit s ARG 67 Ca 0.09 -0.85 0.07 0.00 -1.72 0.00 0.00 55.73 53.33 1vit s ARG 67 Cb -0.14 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.21 1vit s ARG 67 CO 0.05 -0.36 -0.10 0.42 -0.68 0.00 0.00 175.30 174.63 1vit s ILE 68 N 1.42 3.35 -1.00 1.52 1.01 -0.01 -1.00 121.20 126.50 1vit s ILE 68 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1vit s ILE 68 Cb -0.16 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1vit s ILE 68 CO -0.02 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1vit n GLY 69 N 0.78 1.10 3.83 6.18 0.00 -1.25 -0.88 105.19 114.96 1vit n GLY 69 Ca -0.14 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1vit n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vit s LYS 70 N -2.79 4.06 0.00 1.61 2.20 -1.26 -4.21 119.74 119.34 1vit s LYS 70 Ca 0.00 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1vit s LYS 70 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1vit s LYS 70 CO 0.00 0.53 0.41 1.58 -0.36 0.00 0.00 175.35 177.51 1vit n HIS 71 N 1.10 0.00 -4.34 4.03 -0.00 -1.26 -4.90 115.22 109.85 1vit n HIS 71 Ca -0.07 -0.08 -0.23 0.00 -0.00 0.00 0.00 57.72 57.34 1vit n HIS 71 Cb 0.51 -0.01 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 1vit n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1vit s SER 72 N -0.17 4.29 -0.15 0.26 0.15 -1.26 -3.34 113.70 113.48 1vit s SER 72 Ca 0.00 -0.76 -0.26 0.00 0.70 0.00 0.00 55.95 55.64 1vit s SER 72 Cb 0.00 -0.69 -0.24 0.00 -1.71 0.00 0.00 66.02 63.37 1vit s SER 72 CO 0.00 -0.00 0.60 -0.09 1.20 0.00 0.00 173.24 174.95 1vit h ARG 73 N 1.97 0.04 0.00 5.44 2.43 -0.53 -3.43 114.38 120.30 1vit h ARG 73 Ca -0.43 -0.06 -0.32 0.00 -0.81 0.00 0.00 59.98 58.35 1vit h ARG 73 Cb 1.25 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 1vit h ARG 73 CO 0.61 1.03 -2.22 0.25 -1.51 0.00 0.00 179.97 178.12 1vit n THR 74 N -4.48 1.23 -1.68 0.20 -2.24 -1.26 -5.01 114.28 101.03 1vit n THR 74 Ca -0.18 -0.49 -0.49 0.00 -2.27 0.00 0.00 64.05 60.62 1vit n THR 74 Cb 0.59 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.55 1vit n THR 74 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1vit n ARG 75 N -3.10 2.07 -2.25 -0.78 0.63 -1.26 -4.90 116.66 107.07 1vit n ARG 75 Ca -0.37 0.76 -0.39 0.00 -0.92 0.00 0.00 57.85 56.92 1vit n ARG 75 Cb 0.91 -2.58 -0.03 0.00 0.45 0.00 0.00 32.46 31.21 1vit n ARG 75 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1vit s TYR 76 N 3.82 1.92 -1.23 -0.14 5.04 -1.26 -4.76 117.35 120.74 1vit s TYR 76 Ca 0.92 0.41 -0.20 0.00 -2.44 0.00 0.00 57.07 55.77 1vit s TYR 76 Cb -0.73 -4.31 -0.01 0.00 0.35 0.00 0.00 41.96 37.26 1vit s TYR 76 CO 0.52 -2.18 1.86 0.39 -1.34 0.00 0.00 175.55 174.80 1vit n GLU 77 N 9.23 2.42 -0.17 4.97 1.02 -1.26 -4.83 120.64 132.02 1vit n GLU 77 Ca 0.16 -2.82 0.03 0.00 -0.02 0.00 0.00 57.16 54.50 1vit n GLU 77 Cb 0.51 -3.55 0.06 0.00 -0.02 0.00 0.00 31.44 28.44 1vit n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1vit n ARG 77 N 8.12 -0.05 -0.19 3.49 3.00 -1.26 -1.27 116.66 128.50 1vit n ARG 77 Ca 0.48 0.71 0.11 0.00 -0.00 0.00 0.00 57.85 59.14 1vit n ARG 77 Cb 0.45 -1.06 0.21 0.00 0.00 0.00 0.00 32.46 32.06 1vit n ARG 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1vit n LYS 78 N -4.74 2.41 0.00 -0.14 4.76 -1.26 -4.70 118.16 114.50 1vit n LYS 78 Ca 0.07 -2.22 0.00 0.00 -2.87 0.00 0.00 58.31 53.29 1vit n LYS 78 Cb 0.23 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1vit n LYS 78 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1vit n VAL 79 N 1.33 0.00 -3.75 -0.18 0.24 -0.40 -5.07 118.33 110.50 1vit n VAL 79 Ca 0.18 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.13 1vit n VAL 79 Cb 0.56 0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 1vit n VAL 79 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1vit s GLU 80 N -0.52 4.05 -0.22 7.34 -1.05 -0.92 -4.72 118.70 122.66 1vit s GLU 80 Ca 0.00 -0.18 -0.08 0.00 -0.15 0.00 0.00 54.97 54.56 1vit s GLU 80 Cb 0.00 -3.38 -0.04 0.00 -0.44 0.00 0.00 34.13 30.28 1vit s GLU 80 CO 0.00 0.39 0.08 0.15 0.95 0.00 0.00 175.26 176.83 1vit s LYS 81 N 0.09 3.83 -0.10 -4.83 1.02 -0.06 -4.87 119.74 114.82 1vit s LYS 81 Ca 0.10 -0.40 -0.08 0.00 0.02 0.00 0.00 55.97 55.61 1vit s LYS 81 Cb -0.11 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1vit s LYS 81 CO -0.01 0.03 0.17 0.42 -0.92 0.00 0.00 175.35 175.05 1vit s ILE 82 N 1.05 5.45 0.19 2.17 1.01 -1.26 -0.83 121.20 128.98 1vit s ILE 82 Ca 0.04 0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 1vit s ILE 82 Cb -0.14 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1vit s ILE 82 CO 0.03 0.61 0.12 -0.55 0.00 0.00 0.00 174.94 175.15 1vit s SER 83 N -1.06 0.18 0.06 3.58 0.15 -0.19 -5.01 113.70 111.41 1vit s SER 83 Ca 0.16 -1.37 0.09 0.00 0.70 0.00 0.00 55.95 55.53 1vit s SER 83 Cb -0.13 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1vit s SER 83 CO 0.06 -0.83 -0.24 -0.04 1.20 0.00 0.00 173.24 173.39 1vit s MET 84 N -4.15 1.57 0.77 5.44 -1.94 -1.26 -1.84 119.30 117.89 1vit s MET 84 Ca 0.38 -1.08 -0.11 0.00 -1.71 0.00 0.00 55.69 53.17 1vit s MET 84 Cb 0.07 -1.76 0.07 0.00 2.01 0.00 0.00 34.83 35.22 1vit s MET 84 CO 0.11 0.45 1.13 -0.51 -0.01 0.00 0.00 175.02 176.19 1vit s LEU 85 N -1.34 2.62 0.00 -0.03 1.02 -1.26 -0.39 118.68 119.29 1vit s LEU 85 Ca 0.10 0.74 0.00 0.00 0.02 0.00 0.00 54.13 54.99 1vit s LEU 85 Cb -0.10 -3.30 0.00 0.00 0.02 0.00 0.00 46.19 42.82 1vit s LEU 85 CO 0.02 -1.78 0.00 0.47 0.02 0.00 0.00 176.35 175.09 1vit n ASP 86 N -3.19 0.00 -4.79 2.29 8.00 0.71 -4.34 116.55 115.22 1vit n ASP 86 Ca 0.08 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1vit n ASP 86 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 1vit n ASP 86 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vit s LYS 87 N -0.35 2.39 -0.13 -1.24 -0.14 -1.25 -4.89 119.74 114.13 1vit s LYS 87 Ca 0.00 -1.65 -0.03 0.00 -1.36 0.00 0.00 55.97 52.93 1vit s LYS 87 Cb 0.00 -2.19 0.05 0.00 -1.68 0.00 0.00 37.83 34.01 1vit s LYS 87 CO 0.00 -0.09 0.06 0.42 -0.76 0.00 0.00 175.35 174.97 1vit s ILE 88 N -2.51 0.11 -0.31 2.17 1.01 -1.26 -2.09 121.20 118.32 1vit s ILE 88 Ca 0.43 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1vit s ILE 88 Cb -0.00 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 1vit s ILE 88 CO 0.25 -0.06 0.16 -0.31 0.00 0.00 0.00 174.94 174.97 1vit s TYR 89 N 2.06 3.18 -0.11 3.97 2.02 0.65 -4.99 117.35 124.14 1vit s TYR 89 Ca 0.03 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 1vit s TYR 89 Cb -0.15 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 1vit s TYR 89 CO -0.07 -0.41 -0.08 0.42 -1.57 0.00 0.00 175.55 173.84 1vit s ILE 90 N 1.64 3.56 0.20 2.71 1.01 -1.26 -1.17 121.20 127.89 1vit s ILE 90 Ca 0.05 -0.50 -0.32 0.00 0.00 0.00 0.00 60.65 59.87 1vit s ILE 90 Cb -0.17 -2.49 -0.14 0.00 0.01 0.00 0.00 42.46 39.66 1vit s ILE 90 CO 0.07 0.55 1.34 1.57 0.00 0.00 0.00 174.94 178.46 1vit n HIS 91 N 2.91 1.83 0.32 3.97 -0.00 -1.22 -4.92 115.22 118.12 1vit n HIS 91 Ca -0.18 0.52 -0.18 0.00 -0.00 0.00 0.00 57.72 57.88 1vit n HIS 91 Cb 0.53 -2.40 -0.09 0.00 -0.00 0.00 0.00 29.99 28.03 1vit n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1vit h PRO 92 N 4.13 -0.93 -2.12 1.57 0.13 -1.95 -3.11 132.00 129.72 1vit h PRO 92 Ca -0.45 0.06 -0.39 0.00 -0.87 0.00 0.00 66.00 64.36 1vit h PRO 92 Cb 1.30 0.21 -0.11 0.00 0.13 0.00 0.00 31.00 32.53 1vit h PRO 92 CO 0.75 -0.62 0.44 0.54 -0.23 0.00 0.00 178.00 178.89 1vit n ARG 93 N -5.54 2.48 -3.03 0.86 5.12 -1.26 -4.91 116.66 110.38 1vit n ARG 93 Ca -0.12 -1.80 -0.40 0.00 -1.93 0.00 0.00 57.85 53.60 1vit n ARG 93 Cb 0.43 -2.16 -0.05 0.00 -1.16 0.00 0.00 32.46 29.52 1vit n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1vit s TYR 94 N -0.14 3.46 -1.21 -1.55 5.04 -1.18 -4.62 117.35 117.15 1vit s TYR 94 Ca 0.63 1.13 -0.08 0.00 -2.44 0.00 0.00 57.07 56.32 1vit s TYR 94 Cb 0.33 -2.86 0.22 0.00 0.35 0.00 0.00 41.96 39.99 1vit s TYR 94 CO -0.10 -0.10 1.73 -1.71 -1.34 0.00 0.00 175.55 174.02 1vit n ASN 95 N 4.67 5.54 0.00 4.32 2.85 -0.46 -4.84 115.26 127.33 1vit n ASN 95 Ca 0.00 -3.21 0.05 0.00 -0.11 0.00 0.00 54.58 51.32 1vit n ASN 95 Cb 0.50 -1.41 0.32 0.00 1.24 0.00 0.00 39.78 40.43 1vit n ASN 95 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1vit n TRP 96 N 3.05 0.00 0.00 1.20 4.27 -1.26 0.12 117.44 124.82 1vit n TRP 96 Ca 0.35 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.96 1vit n TRP 96 Cb 0.35 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 1vit n TRP 96 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1vit n LYS 97 N -0.74 3.19 -0.00 -2.67 2.85 -1.26 -4.76 118.16 114.78 1vit n LYS 97 Ca 0.08 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.36 1vit n LYS 97 Cb 0.04 -0.60 -0.03 0.00 -0.65 0.00 0.00 35.03 33.78 1vit n LYS 97 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1vit n GLU 97 N -0.83 0.47 -0.08 -1.58 4.07 -1.24 -4.93 120.64 116.52 1vit n GLU 97 Ca 0.00 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 1vit n GLU 97 Cb 0.00 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 1vit n GLU 97 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1vit n ASN 98 N -1.70 0.00 -3.52 4.31 0.23 -1.23 -4.54 115.26 108.82 1vit n ASN 98 Ca -0.01 -0.21 -0.26 0.00 -0.53 0.00 0.00 54.58 53.57 1vit n ASN 98 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1vit n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1vit n LEU 99 N 0.00 -1.79 -4.77 -4.53 4.77 0.12 -4.93 117.00 105.87 1vit n LEU 99 Ca 0.00 -0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 55.15 1vit n LEU 99 Cb 0.11 -2.24 0.07 0.00 -2.33 0.00 0.00 43.42 39.02 1vit n LEU 99 CO 0.00 0.22 0.72 -0.62 -1.33 0.00 0.00 177.39 176.38 1vit s ASP 100 N -2.86 4.87 -1.54 -1.43 2.15 -1.11 -3.71 116.67 113.03 1vit s ASP 100 Ca 0.47 1.90 -0.07 0.00 0.43 0.00 0.00 52.55 55.29 1vit s ASP 100 Cb -0.25 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.90 1vit s ASP 100 CO 0.58 -1.79 0.49 0.54 -0.17 0.00 0.00 175.17 174.82 1vit n ARG 101 N -2.92 -2.90 -1.96 4.34 1.74 -1.26 -1.36 116.66 112.34 1vit n ARG 101 Ca 0.10 0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 57.10 1vit n ARG 101 Cb 0.52 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 27.36 1vit n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1vit n ASP 102 N -2.85 4.26 -3.90 0.55 2.03 -1.24 -4.62 116.55 110.78 1vit n ASP 102 Ca -0.17 -2.91 -0.11 0.00 0.52 0.00 0.00 54.79 52.11 1vit n ASP 102 Cb 0.62 -1.62 -0.13 0.00 -0.72 0.00 0.00 41.12 39.27 1vit n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1vit s ILE 103 N 2.55 0.03 0.04 5.18 2.07 -1.26 -3.32 121.20 126.49 1vit s ILE 103 Ca 0.46 -0.29 -0.09 0.00 -1.41 0.00 0.00 60.65 59.32 1vit s ILE 103 Cb 0.12 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.61 1vit s ILE 103 CO -0.05 -0.16 0.18 0.00 -1.91 0.00 0.00 174.94 173.00 1vit s ALA 104 N -0.46 -0.32 -0.06 1.50 0.00 0.24 -3.37 121.76 119.30 1vit s ALA 104 Ca -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1vit s ALA 104 Cb -0.03 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1vit s ALA 104 CO -0.00 -0.35 -0.12 -1.17 0.00 0.00 0.00 175.76 174.12 1vit s LEU 105 N -2.05 1.64 -0.11 0.00 2.96 -0.31 -1.06 118.68 119.75 1vit s LEU 105 Ca -0.06 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1vit s LEU 105 Cb -0.01 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 1vit s LEU 105 CO -0.04 0.03 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.17 1vit s LEU 106 N 0.64 2.95 -0.12 -0.68 1.43 -0.43 -0.25 118.68 122.21 1vit s LEU 106 Ca -0.14 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1vit s LEU 106 Cb -0.15 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1vit s LEU 106 CO 0.03 0.25 0.25 -0.75 0.23 0.00 0.00 176.35 176.36 1vit s LYS 107 N -0.13 3.95 0.31 1.70 2.20 -0.89 -1.30 119.74 125.57 1vit s LYS 107 Ca 0.00 0.04 -0.22 0.00 -0.36 0.00 0.00 55.97 55.43 1vit s LYS 107 Cb -0.13 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1vit s LYS 107 CO 0.03 0.49 0.85 -0.51 -0.36 0.00 0.00 175.35 175.85 1vit s LEU 108 N -0.27 4.25 -0.08 5.43 1.43 0.61 -0.21 118.68 129.84 1vit s LEU 108 Ca 0.16 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1vit s LEU 108 Cb -0.13 -3.96 0.24 0.00 0.03 0.00 0.00 46.19 42.37 1vit s LEU 108 CO 0.05 -0.09 0.91 1.17 0.23 0.00 0.00 176.35 178.62 1vit n LYS 109 N 0.34 2.08 -3.22 1.70 4.81 0.48 -4.66 118.16 119.69 1vit n LYS 109 Ca 0.01 -0.93 0.03 0.00 -0.87 0.00 0.00 58.31 56.56 1vit n LYS 109 Cb 0.51 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.83 1vit n LYS 109 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1vit s ARG 110 N -1.46 0.08 -0.17 1.64 3.00 -1.26 -4.98 118.95 115.79 1vit s ARG 110 Ca 0.16 0.20 -0.29 0.00 -1.00 0.00 0.00 55.73 54.80 1vit s ARG 110 Cb 0.13 0.12 -0.03 0.00 0.00 0.00 0.00 34.95 35.17 1vit s ARG 110 CO 0.05 -0.03 1.46 -1.25 0.00 0.00 0.00 175.30 175.53 1vit s PRO 111 N 2.14 4.05 0.71 5.12 0.04 -1.26 -4.80 135.00 141.00 1vit s PRO 111 Ca -0.00 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1vit s PRO 111 Cb -0.02 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 30.64 1vit s PRO 111 CO -0.16 -0.97 1.15 0.96 0.04 0.00 0.00 177.00 178.02 1vit s ILE 112 N 4.24 2.78 -1.01 0.56 -5.25 -1.04 -4.96 121.20 116.52 1vit s ILE 112 Ca 0.64 0.35 -0.23 0.00 -0.99 0.00 0.00 60.65 60.43 1vit s ILE 112 Cb -0.25 -2.85 0.06 0.00 2.95 0.00 0.00 42.46 42.37 1vit s ILE 112 CO 0.24 -0.23 1.42 -0.70 -1.79 0.00 0.00 174.94 173.87 1vit s GLU 113 N -4.12 3.58 -0.19 0.37 -6.30 -1.26 -4.96 118.70 105.83 1vit s GLU 113 Ca 0.69 -1.16 -0.36 0.00 -2.50 0.00 0.00 54.97 51.64 1vit s GLU 113 Cb -0.24 -5.29 -0.12 0.00 0.00 0.00 0.00 34.13 28.47 1vit s GLU 113 CO 0.45 -2.17 1.91 1.28 0.02 0.00 0.00 175.26 176.75 1vit n LEU 114 N 8.68 2.95 0.00 2.70 4.32 -1.26 -4.91 117.00 129.47 1vit n LEU 114 Ca 0.31 0.89 -0.06 0.00 -0.02 0.00 0.00 56.01 57.13 1vit n LEU 114 Cb 0.51 -1.30 -0.01 0.00 -1.62 0.00 0.00 43.42 41.00 1vit n LEU 114 CO 0.65 -0.28 -0.02 -1.20 -1.22 0.00 0.00 177.39 175.32 1vit n SER 115 N 7.00 1.84 0.20 -1.43 7.64 -1.06 -4.93 113.62 122.88 1vit n SER 115 Ca 0.27 -1.45 0.14 0.00 1.01 0.00 0.00 58.87 58.84 1vit n SER 115 Cb 0.24 0.03 0.69 0.00 -1.01 0.00 0.00 64.21 64.17 1vit n SER 115 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1vit h ASP 116 N 0.21 0.00 0.00 6.43 5.19 -1.97 -2.66 116.42 123.62 1vit h ASP 116 Ca -0.08 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 1vit h ASP 116 Cb 0.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1vit h ASP 116 CO 0.14 0.00 -1.60 -1.22 -3.12 0.00 0.00 179.24 173.44 1vit n TYR 117 N -2.47 0.00 -3.53 4.55 4.01 -1.26 -4.82 117.16 113.65 1vit n TYR 117 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1vit n TYR 117 Cb 0.11 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 38.73 1vit n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1vit s ILE 118 N -2.72 4.37 -0.24 -0.72 1.09 -1.00 -4.14 121.20 117.83 1vit s ILE 118 Ca -0.05 -1.88 -0.02 0.00 -1.10 0.00 0.00 60.65 57.60 1vit s ILE 118 Cb 0.07 -3.85 0.13 0.00 -1.06 0.00 0.00 42.46 37.74 1vit s ILE 118 CO 0.49 -0.81 0.35 -2.28 -0.10 0.00 0.00 174.94 172.59 1vit s HIS 119 N 1.21 -0.74 0.92 3.97 2.46 0.48 -2.56 115.29 121.04 1vit s HIS 119 Ca 0.07 0.66 -0.15 0.00 0.47 0.00 0.00 55.06 56.11 1vit s HIS 119 Cb -0.25 -0.07 -0.03 0.00 -0.13 0.00 0.00 32.58 32.09 1vit s HIS 119 CO -0.01 -0.73 0.05 -0.35 -2.47 0.00 0.00 174.74 171.23 1vit n PRO 120 N 5.35 -0.11 -3.22 2.88 -0.04 -1.26 -3.11 135.00 135.49 1vit n PRO 120 Ca -0.04 -0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.22 1vit n PRO 120 Cb 0.50 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1vit n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1vit s VAL 121 N -2.20 3.83 0.11 0.52 0.11 0.10 -4.87 120.40 118.01 1vit s VAL 121 Ca 0.53 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1vit s VAL 121 Cb -0.23 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1vit s VAL 121 CO 0.71 -0.18 0.26 0.00 -3.33 0.00 0.00 175.10 172.56 1vit s LEU 123 N -2.87 4.18 0.39 0.00 1.43 -1.26 -0.47 118.68 120.08 1vit s LEU 123 Ca 0.35 0.32 -0.26 0.00 -1.03 0.00 0.00 54.13 53.51 1vit s LEU 123 Cb -0.12 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 1vit s LEU 123 CO 0.28 -0.15 1.21 -2.84 0.23 0.00 0.00 176.35 175.08 1vit s PRO 124 N -3.90 4.07 0.09 1.29 0.02 -1.26 -4.86 135.00 130.45 1vit s PRO 124 Ca 0.38 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.40 1vit s PRO 124 Cb -0.10 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 1vit s PRO 124 CO 0.32 -0.33 -0.06 0.16 -0.33 0.00 0.00 177.00 176.75 1vit s ASP 125 N -0.98 4.63 0.21 2.53 1.47 -1.26 -4.98 116.67 118.28 1vit s ASP 125 Ca 0.56 -0.29 0.05 0.00 1.18 0.00 0.00 52.55 54.05 1vit s ASP 125 Cb -0.33 -0.98 0.60 0.00 -0.34 0.00 0.00 42.92 41.87 1vit s ASP 125 CO 0.42 0.19 1.03 1.17 0.68 0.00 0.00 175.17 178.66 1vit n LYS 126 N 0.78 -0.05 -0.05 2.11 4.81 -1.26 0.06 118.16 124.56 1vit n LYS 126 Ca -0.13 0.96 -0.13 0.00 -0.87 0.00 0.00 58.31 58.14 1vit n LYS 126 Cb 0.52 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 33.93 1vit n LYS 126 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1vit h GLN 127 N 0.00 0.37 -1.36 1.64 7.50 -2.03 -2.34 115.11 118.90 1vit h GLN 127 Ca 0.44 -0.20 0.00 0.00 0.50 0.00 0.00 58.65 59.38 1vit h GLN 127 Cb 0.99 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.53 1vit h GLN 127 CO -0.59 0.77 0.00 2.41 -1.50 0.00 0.00 178.83 179.92 1vit n THR 128 N -4.53 0.26 0.00 -0.54 -1.04 0.11 -0.01 114.28 108.53 1vit n THR 128 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1vit n THR 128 Cb 0.38 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1vit n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vit n ALA 129 N 0.72 0.00 -0.00 2.41 0.00 -0.88 -0.93 120.51 121.82 1vit n ALA 129 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1vit n ALA 129 Cb 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 1vit n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vit h LYS 129 N 0.00 -0.03 -0.01 0.00 1.57 -0.70 -3.39 116.57 114.01 1vit h LYS 129 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1vit h LYS 129 Cb 0.00 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1vit h LYS 129 CO 0.00 0.48 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.66 1vit h LEU 129 N -0.57 0.56 -6.54 2.94 -0.00 -1.25 -3.40 115.31 107.06 1vit h LEU 129 Ca -0.00 -0.75 -0.64 0.00 -0.00 0.00 0.00 57.88 56.48 1vit h LEU 129 Cb 0.53 -0.17 0.04 0.00 -0.00 0.00 0.00 40.66 41.06 1vit h LEU 129 CO 0.01 1.24 2.27 -0.11 -0.00 0.00 0.00 178.44 181.85 1vit n LEU 130 N -4.19 4.13 -4.32 1.67 0.00 -1.25 -4.82 117.00 108.21 1vit n LEU 130 Ca -0.10 -2.95 -0.31 0.00 0.00 0.00 0.00 56.01 52.65 1vit n LEU 130 Cb 0.68 -1.16 -0.16 0.00 0.00 0.00 0.00 43.42 42.79 1vit n LEU 130 CO 0.47 -0.38 -0.56 -1.00 0.00 0.00 0.00 177.39 175.91 1vit s HIS 131 N 5.23 2.35 -0.05 1.96 3.76 -1.26 -4.94 115.29 122.34 1vit s HIS 131 Ca 0.58 -0.42 -0.34 0.00 -0.15 0.00 0.00 55.06 54.73 1vit s HIS 131 Cb 0.14 -1.50 -0.12 0.00 1.11 0.00 0.00 32.58 32.21 1vit s HIS 131 CO 0.11 -0.02 1.85 0.00 -0.85 0.00 0.00 174.74 175.84 1vit n ALA 132 N 2.40 1.00 0.00 -1.40 0.00 -1.26 -0.74 120.51 120.51 1vit n ALA 132 Ca -0.16 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1vit n ALA 132 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1vit n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vit n GLY 133 N 4.31 2.10 3.66 0.00 0.00 -0.39 -4.94 105.19 109.93 1vit n GLY 133 Ca 0.22 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1vit n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vit s PHE 134 N -0.88 1.87 0.51 1.61 0.40 0.09 -4.15 117.98 117.43 1vit s PHE 134 Ca 0.00 0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.20 1vit s PHE 134 Cb 0.00 -3.98 -0.07 0.00 0.51 0.00 0.00 43.02 39.48 1vit s PHE 134 CO 0.00 -4.19 1.10 0.15 0.70 0.00 0.00 175.22 172.98 1vit s LYS 135 N 4.02 3.55 -0.03 0.44 1.02 -1.26 -2.09 119.74 125.39 1vit s LYS 135 Ca 0.76 1.55 0.01 0.00 0.02 0.00 0.00 55.97 58.31 1vit s LYS 135 Cb -0.36 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1vit s LYS 135 CO 0.32 -0.67 -0.03 0.20 -0.92 0.00 0.00 175.35 174.25 1vit s GLY 136 N -1.79 0.34 -0.00 -3.33 0.00 0.14 -4.86 107.32 97.81 1vit s GLY 136 Ca 0.70 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 45.11 1vit s GLY 136 CO 0.25 0.30 0.84 -1.60 0.00 0.00 0.00 173.10 172.90 1vit s ARG 137 N 0.65 4.52 -0.08 2.90 3.52 -1.03 -0.96 118.95 128.47 1vit s ARG 137 Ca -0.08 1.18 0.03 0.00 -0.13 0.00 0.00 55.73 56.73 1vit s ARG 137 Cb -0.11 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1vit s ARG 137 CO -0.00 0.08 -0.16 0.54 -0.81 0.00 0.00 175.30 174.95 1vit s VAL 138 N 0.63 1.44 0.25 7.11 0.11 0.52 -1.80 120.40 128.65 1vit s VAL 138 Ca 0.44 -0.65 0.10 0.00 -2.93 0.00 0.00 61.98 58.94 1vit s VAL 138 Cb -0.20 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1vit s VAL 138 CO 0.24 0.42 -0.04 0.42 -3.33 0.00 0.00 175.10 172.81 1vit s THR 139 N 0.62 3.31 0.00 5.04 -4.23 -1.25 -2.07 115.64 117.06 1vit s THR 139 Ca -0.15 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1vit s THR 139 Cb -0.16 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1vit s THR 139 CO 0.04 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1vit n GLY 140 N -0.66 3.73 0.34 3.99 0.00 -0.81 -4.65 105.19 107.14 1vit n GLY 140 Ca -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.64 1vit n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vit n TRP 141 N -0.96 0.21 -1.55 1.61 8.01 -1.26 -3.57 117.44 119.92 1vit n TRP 141 Ca 0.00 -0.09 -0.30 0.00 -1.31 0.00 0.00 57.50 55.80 1vit n TRP 141 Cb 0.00 -0.04 0.22 0.00 -2.01 0.00 0.00 31.31 29.48 1vit n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1vit s GLY 142 N -0.81 1.70 0.09 6.99 0.00 -1.26 -4.26 107.32 109.76 1vit s GLY 142 Ca 0.09 -1.13 -0.31 0.00 0.00 0.00 0.00 44.72 43.36 1vit s GLY 142 CO 0.05 -0.29 0.73 0.70 0.00 0.00 0.00 173.10 174.29 1vit n ASN 143 N -4.25 -0.55 -0.21 1.64 3.02 0.14 0.64 115.26 115.68 1vit n ASN 143 Ca 0.15 1.04 0.12 0.00 -0.03 0.00 0.00 54.58 55.85 1vit n ASN 143 Cb 0.59 -0.85 0.13 0.00 -0.61 0.00 0.00 39.78 39.05 1vit n ASN 143 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1vit n ARG 144 N 1.14 0.58 -3.64 3.52 1.74 -0.31 -1.13 116.66 118.55 1vit n ARG 144 Ca 0.17 -0.42 -0.04 0.00 -0.77 0.00 0.00 57.85 56.79 1vit n ARG 144 Cb 0.15 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 1vit n ARG 144 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1vit s ARG 145 N -2.71 0.65 -0.42 5.56 3.00 -1.26 -4.44 118.95 119.33 1vit s ARG 145 Ca 0.16 1.33 -0.45 0.00 -1.00 0.00 0.00 55.73 55.77 1vit s ARG 145 Cb 0.18 0.46 -0.19 0.00 0.00 0.00 0.00 34.95 35.40 1vit s ARG 145 CO 0.65 -0.17 1.59 -1.91 0.00 0.00 0.00 175.30 175.46 1vit n GLU 146 N 4.82 0.23 -4.20 5.12 2.13 -1.26 -4.98 120.64 122.50 1vit n GLU 146 Ca -0.16 0.09 -0.16 0.00 0.66 0.00 0.00 57.16 57.58 1vit n GLU 146 Cb 0.55 -1.62 -0.13 0.00 0.27 0.00 0.00 31.44 30.50 1vit n GLU 146 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1vit s THR 147 N 2.91 0.63 -1.76 6.31 -4.23 -1.26 -5.05 115.64 113.18 1vit s THR 147 Ca 1.03 -0.67 0.12 0.00 -1.18 0.00 0.00 61.69 60.99 1vit s THR 147 Cb -1.40 -0.60 0.39 0.00 1.34 0.00 0.00 72.50 72.24 1vit s THR 147 CO 0.77 -0.05 1.30 0.79 -0.54 0.00 0.00 174.62 176.89 1vit n TRP 148 N 2.26 0.68 -2.16 3.99 7.02 -1.26 -5.02 117.44 122.95 1vit n TRP 148 Ca -0.17 -0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.00 1vit n TRP 148 Cb 0.56 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1vit n TRP 148 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1vit n THR 149 N 0.69 0.00 0.00 -0.99 -2.24 -1.26 -5.25 114.28 105.23 1vit n THR 149 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1vit n THR 149 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1vit n THR 149 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vit n SER 149 N 0.00 0.00 -4.68 3.42 7.64 -1.26 -5.05 113.62 113.70 1vit n SER 149 Ca 0.00 0.00 -0.63 0.00 1.01 0.00 0.00 58.87 59.25 1vit n SER 149 Cb 0.00 0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 1vit n SER 149 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1vit n VAL 149 N -1.30 0.07 -1.89 0.44 0.31 -1.26 -4.69 118.33 110.00 1vit n VAL 149 Ca 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 64.34 64.30 1vit n VAL 149 Cb 0.00 -0.57 -0.02 0.00 -0.91 0.00 0.00 33.84 32.33 1vit n VAL 149 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vit n ALA 149 N 3.63 2.23 -2.17 3.52 0.00 -1.26 -4.88 120.51 121.58 1vit n ALA 149 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1vit n ALA 149 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1vit n ALA 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vit n GLU 149 N 0.00 0.00 -0.06 0.00 -0.58 -1.26 -5.00 120.64 113.74 1vit n GLU 149 Ca -0.09 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.44 1vit n GLU 149 Cb 0.51 -2.25 -0.13 0.00 -0.57 0.00 0.00 31.44 29.01 1vit n GLU 149 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1vit h VAL 150 N 0.00 0.86 -3.67 2.62 -1.51 -1.90 -3.47 116.25 109.18 1vit h VAL 150 Ca 0.00 -2.26 -0.50 0.00 -1.23 0.00 0.00 66.70 62.71 1vit h VAL 150 Cb 0.90 2.38 -0.02 0.00 -2.13 0.00 0.00 31.29 32.42 1vit h VAL 150 CO 0.00 0.54 0.26 -1.10 -1.23 0.00 0.00 177.57 176.04 1vit s GLN 151 N -2.43 4.64 0.27 5.19 -1.52 -1.26 -1.17 119.66 123.39 1vit s GLN 151 Ca -0.26 1.28 -0.17 0.00 -1.95 0.00 0.00 55.36 54.26 1vit s GLN 151 Cb 0.06 -3.15 -0.09 0.00 -0.22 0.00 0.00 33.01 29.61 1vit s GLN 151 CO 0.67 0.49 0.73 -1.25 -0.25 0.00 0.00 175.29 175.67 1vit s PRO 152 N -1.40 4.13 0.02 2.91 0.04 -1.26 -4.97 135.00 134.47 1vit s PRO 152 Ca 0.41 0.77 -0.26 0.00 0.04 0.00 0.00 61.00 61.96 1vit s PRO 152 Cb -0.23 -2.66 -0.16 0.00 0.04 0.00 0.00 34.50 31.49 1vit s PRO 152 CO 0.27 0.28 1.29 0.77 0.04 0.00 0.00 177.00 179.65 1vit h SER 153 N 2.84 -0.45 -1.48 6.66 0.02 -1.96 -3.41 113.55 115.77 1vit h SER 153 Ca -0.48 -0.11 -0.63 0.00 -0.84 0.00 0.00 61.79 59.73 1vit h SER 153 Cb 1.18 0.12 -0.13 0.00 0.14 0.00 0.00 62.40 63.71 1vit h SER 153 CO 0.65 -0.11 -0.58 0.68 -1.14 0.00 0.00 176.83 176.33 1vit s VAL 154 N -4.90 1.71 0.38 2.27 -7.23 -1.26 0.16 120.40 111.52 1vit s VAL 154 Ca -0.15 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.78 1vit s VAL 154 Cb 0.02 -2.76 -0.13 0.00 0.56 0.00 0.00 36.38 34.07 1vit s VAL 154 CO 0.54 0.00 0.75 0.18 -0.31 0.00 0.00 175.10 176.26 1vit n LEU 155 N -1.02 0.87 -4.39 1.32 4.77 -1.21 -4.84 117.00 112.49 1vit n LEU 155 Ca -0.08 1.01 -0.33 0.00 -0.03 0.00 0.00 56.01 56.58 1vit n LEU 155 Cb 0.67 -1.19 -0.14 0.00 -2.33 0.00 0.00 43.42 40.43 1vit n LEU 155 CO 0.46 -2.27 -0.44 -1.58 -1.33 0.00 0.00 177.39 172.22 1vit s GLN 156 N -1.64 3.27 0.05 3.23 2.00 -1.24 -0.82 119.66 124.51 1vit s GLN 156 Ca 0.62 -0.68 0.08 0.00 -2.00 0.00 0.00 55.36 53.39 1vit s GLN 156 Cb -0.64 -2.61 -0.03 0.00 0.80 0.00 0.00 33.01 30.54 1vit s GLN 156 CO 0.58 0.28 -0.23 0.08 -0.50 0.00 0.00 175.29 175.50 1vit s VAL 157 N 0.18 1.86 -0.21 1.34 1.01 -0.32 -1.92 120.40 122.34 1vit s VAL 157 Ca -0.07 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 1vit s VAL 157 Cb -0.15 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1vit s VAL 157 CO 0.05 0.25 0.56 0.54 0.00 0.00 0.00 175.10 176.50 1vit s VAL 158 N -0.83 -0.00 -0.28 2.92 0.11 -0.88 -0.95 120.40 120.49 1vit s VAL 158 Ca 0.09 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1vit s VAL 158 Cb -0.09 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1vit s VAL 158 CO 0.02 0.00 0.04 0.20 -3.33 0.00 0.00 175.10 172.04 1vit s ASN 159 N 0.53 4.91 -0.09 3.54 -0.87 -1.26 -0.36 114.94 121.34 1vit s ASN 159 Ca -0.02 -0.73 0.01 0.00 -1.57 0.00 0.00 52.86 50.55 1vit s ASN 159 Cb -0.04 -1.82 -0.03 0.00 -0.02 0.00 0.00 41.25 39.34 1vit s ASN 159 CO -0.02 -0.17 -0.10 -0.76 -2.57 0.00 0.00 177.10 173.48 1vit s LEU 160 N 1.46 2.97 0.58 0.60 1.43 -0.13 -4.83 118.68 120.75 1vit s LEU 160 Ca 0.02 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1vit s LEU 160 Cb -0.17 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1vit s LEU 160 CO 0.01 0.29 1.02 -2.16 0.23 0.00 0.00 176.35 175.74 1vit s PRO 161 N -0.38 3.57 0.35 1.29 0.04 -1.26 0.27 135.00 138.89 1vit s PRO 161 Ca 0.05 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 1vit s PRO 161 Cb -0.12 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1vit s PRO 161 CO 0.02 -0.59 0.86 -0.51 0.04 0.00 0.00 177.00 176.82 1vit s LEU 162 N -4.57 4.10 0.01 -3.56 1.43 -0.89 -0.60 118.68 114.59 1vit s LEU 162 Ca 0.59 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1vit s LEU 162 Cb -0.12 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1vit s LEU 162 CO 0.40 -0.21 0.04 -0.69 0.23 0.00 0.00 176.35 176.11 1vit s VAL 163 N -1.94 4.39 0.26 -1.59 1.01 -0.81 -1.26 120.40 120.46 1vit s VAL 163 Ca 0.55 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1vit s VAL 163 Cb -0.12 -2.99 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 1vit s VAL 163 CO 0.17 0.34 1.52 -1.61 0.00 0.00 0.00 175.10 175.52 1vit s GLU 164 N -1.70 4.20 0.24 2.72 8.01 -1.26 -4.71 118.70 126.20 1vit s GLU 164 Ca 0.22 2.43 -0.04 0.00 0.01 0.00 0.00 54.97 57.58 1vit s GLU 164 Cb -0.12 -3.08 0.46 0.00 -4.31 0.00 0.00 34.13 27.08 1vit s GLU 164 CO 0.13 -0.53 1.71 -0.09 0.01 0.00 0.00 175.26 176.49 1vit h ARG 165 N 5.14 0.37 -0.09 1.61 2.43 -1.98 0.15 114.38 122.01 1vit h ARG 165 Ca -0.46 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 1vit h ARG 165 Cb 1.22 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1vit h ARG 165 CO 0.80 0.24 0.15 -1.00 -1.51 0.00 0.00 179.97 178.65 1vit h PRO 166 N 0.38 0.00 0.06 0.20 0.13 -1.99 0.30 132.00 131.08 1vit h PRO 166 Ca 0.41 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.26 1vit h PRO 166 Cb 0.65 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1vit h PRO 166 CO -0.44 0.00 -1.42 0.28 -0.23 0.00 0.00 178.00 176.20 1vit h VAL 167 N 0.00 1.25 -0.24 1.56 2.07 -0.99 -2.49 116.25 117.41 1vit h VAL 167 Ca 0.04 -2.95 -0.07 0.00 0.82 0.00 0.00 66.70 64.54 1vit h VAL 167 Cb 0.34 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1vit h VAL 167 CO -0.00 0.80 -0.14 0.00 0.02 0.00 0.00 177.57 178.25 1vit h LYS 169 N 0.24 0.49 -3.40 0.00 6.56 -1.23 -2.66 116.57 116.58 1vit h LYS 169 Ca 0.05 -0.03 -0.77 0.00 -1.06 0.00 0.00 60.65 58.84 1vit h LYS 169 Cb 0.65 -0.11 -0.20 0.00 -0.57 0.00 0.00 32.23 32.00 1vit h LYS 169 CO 0.04 0.33 1.52 0.00 -2.06 0.00 0.00 179.45 179.27 1vit n ALA 170 N -2.28 5.17 0.00 3.86 0.00 -0.94 -3.55 120.51 122.77 1vit n ALA 170 Ca 0.03 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 48.98 1vit n ALA 170 Cb 0.09 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.78 1vit n ALA 170 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vit n SER 171 N 3.11 0.00 -0.85 0.00 2.88 -1.00 -4.69 113.62 113.06 1vit n SER 171 Ca 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1vit n SER 171 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1vit n SER 171 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vit n THR 172 N -0.82 0.00 -0.04 2.46 -2.24 -1.23 -4.81 114.28 107.59 1vit n THR 172 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vit n THR 172 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vit n THR 172 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vit n ARG 173 N 0.00 4.08 -2.39 -0.78 1.74 -1.26 -4.98 116.66 113.07 1vit n ARG 173 Ca 0.00 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 1vit n ARG 173 Cb 0.00 -0.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 1vit n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vit s ILE 174 N -0.60 3.60 -0.42 0.55 1.09 -1.26 -4.92 121.20 119.24 1vit s ILE 174 Ca 0.00 1.35 -0.27 0.00 -1.10 0.00 0.00 60.65 60.64 1vit s ILE 174 Cb 0.00 -3.86 -0.07 0.00 -1.06 0.00 0.00 42.46 37.47 1vit s ILE 174 CO 0.00 0.22 2.37 -1.14 -0.10 0.00 0.00 174.94 176.29 1vit n ARG 175 N 2.46 1.27 -3.00 2.79 0.63 -1.26 -4.93 116.66 114.62 1vit n ARG 175 Ca 0.04 0.13 -0.40 0.00 -0.92 0.00 0.00 57.85 56.70 1vit n ARG 175 Cb 0.45 -3.39 -0.05 0.00 0.45 0.00 0.00 32.46 29.92 1vit n ARG 175 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1vit s ILE 176 N 11.25 5.00 0.16 5.15 -1.09 -1.26 -4.83 121.20 135.57 1vit s ILE 176 Ca 0.99 1.50 0.02 0.00 -2.23 0.00 0.00 60.65 60.93 1vit s ILE 176 Cb -0.22 -4.07 0.02 0.00 -1.58 0.00 0.00 42.46 36.61 1vit s ILE 176 CO 0.29 0.19 0.21 0.35 -1.23 0.00 0.00 174.94 174.74 1vit n THR 177 N 4.07 0.00 -1.21 2.92 -2.24 -1.26 -4.99 114.28 111.56 1vit n THR 177 Ca 0.00 -0.53 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 1vit n THR 177 Cb 0.51 -0.81 0.21 0.00 -2.10 0.00 0.00 70.33 68.13 1vit n THR 177 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vit n ASP 178 N -2.73 3.86 -0.12 3.42 5.75 -1.26 -3.84 116.55 121.63 1vit n ASP 178 Ca 0.04 -3.55 0.04 0.00 -0.01 0.00 0.00 54.79 51.31 1vit n ASP 178 Cb 0.16 -0.80 0.07 0.00 -1.03 0.00 0.00 41.12 39.52 1vit n ASP 178 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1vit n ASN 179 N -0.95 2.27 -3.64 -1.12 5.03 -1.26 -4.90 115.26 110.69 1vit n ASN 179 Ca 0.54 -2.37 -0.04 0.00 0.87 0.00 0.00 54.58 53.58 1vit n ASN 179 Cb 1.57 -0.17 -0.07 0.00 -1.02 0.00 0.00 39.78 40.09 1vit n ASN 179 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vit s MET 180 N -1.63 0.50 0.48 3.52 0.23 -1.25 -2.58 119.30 118.57 1vit s MET 180 Ca 0.13 0.85 0.05 0.00 -1.03 0.00 0.00 55.69 55.70 1vit s MET 180 Cb 0.11 0.11 -0.01 0.00 -1.53 0.00 0.00 34.83 33.51 1vit s MET 180 CO 0.03 -0.10 0.23 -0.59 -2.03 0.00 0.00 175.02 172.55 1vit s PHE 181 N 1.38 2.09 0.10 3.16 -0.71 -0.63 -4.64 117.98 118.74 1vit s PHE 181 Ca -0.09 -0.75 0.04 0.00 -1.04 0.00 0.00 56.93 55.08 1vit s PHE 181 Cb -0.04 -1.88 -0.04 0.00 -1.21 0.00 0.00 43.02 39.85 1vit s PHE 181 CO -0.16 -0.06 -0.10 0.00 -1.34 0.00 0.00 175.22 173.56 1vit s ALA 183 N -2.60 0.29 0.00 0.00 0.00 0.08 -1.93 121.76 117.60 1vit s ALA 183 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1vit s ALA 183 Cb -0.02 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1vit s ALA 183 CO -0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1vit n GLY 184 N 1.39 3.74 3.77 0.00 0.00 0.23 -2.22 105.19 112.10 1vit n GLY 184 Ca -0.22 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1vit n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vit s TYR 184 N -2.00 3.55 0.88 1.61 2.02 -1.26 -4.67 117.35 117.48 1vit s TYR 184 Ca 0.00 1.72 -0.12 0.00 -0.37 0.00 0.00 57.07 58.31 1vit s TYR 184 Cb 0.00 -3.15 0.12 0.00 -0.40 0.00 0.00 41.96 38.53 1vit s TYR 184 CO 0.00 -0.36 1.09 0.15 -1.57 0.00 0.00 175.55 174.87 1vit s LYS 185 N -1.81 1.37 0.09 -0.62 -0.14 -1.26 -4.86 119.74 112.50 1vit s LYS 185 Ca 0.49 0.75 -0.33 0.00 -1.36 0.00 0.00 55.97 55.52 1vit s LYS 185 Cb -0.27 -1.83 -0.15 0.00 -1.68 0.00 0.00 37.83 33.91 1vit s LYS 185 CO 0.34 -2.14 1.60 -1.00 -0.76 0.00 0.00 175.35 173.39 1vit h PRO 186 N -1.48 -0.81 -6.28 -1.68 0.13 -1.95 -3.25 132.00 116.68 1vit h PRO 186 Ca -0.49 0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 1vit h PRO 186 Cb 1.28 0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.51 1vit h PRO 186 CO 0.56 -0.54 0.90 0.20 -0.23 0.00 0.00 178.00 178.89 1vit s GLY 186 N -2.20 1.12 -0.25 1.56 0.00 -1.26 -4.81 107.32 101.47 1vit s GLY 186 Ca -0.17 -1.16 -0.34 0.00 0.00 0.00 0.00 44.72 43.04 1vit s GLY 186 CO 0.62 2.44 1.30 1.85 0.00 0.00 0.00 173.10 179.31 1vit s GLU 186 N 4.96 0.15 -0.55 2.90 2.56 -1.23 -5.08 118.70 122.41 1vit s GLU 186 Ca 0.36 -0.02 0.01 0.00 0.00 0.00 0.00 54.97 55.32 1vit s GLU 186 Cb -0.09 0.07 0.57 0.00 2.00 0.00 0.00 34.13 36.67 1vit s GLU 186 CO 0.20 -0.06 1.97 0.41 -0.56 0.00 0.00 175.26 177.21 1vit n GLY 186 N 0.18 5.15 3.42 -1.50 0.00 -1.26 -4.95 105.19 106.23 1vit n GLY 186 Ca 0.01 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1vit n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vit s LYS 186 N -3.55 1.14 0.00 1.61 2.20 -1.26 -5.18 119.74 114.71 1vit s LYS 186 Ca 0.60 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1vit s LYS 186 Cb 0.49 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 37.34 1vit s LYS 186 CO 0.05 -0.45 0.00 0.54 -0.36 0.00 0.00 175.35 175.13 1vit n ARG 187 N 0.09 3.34 0.00 4.03 1.74 -1.26 -4.76 116.66 119.84 1vit n ARG 187 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1vit n ARG 187 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 1vit n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vit n GLY 188 N 5.00 3.11 0.00 -0.13 0.00 -1.25 -4.92 105.19 106.99 1vit n GLY 188 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1vit n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vit n ASP 189 N 0.00 0.00 -4.82 1.61 2.03 -0.15 -4.70 116.55 110.52 1vit n ASP 189 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1vit n ASP 189 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1vit n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vit s ALA 190 N -2.00 3.44 0.00 -1.67 0.00 -1.26 -0.48 121.76 119.79 1vit s ALA 190 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1vit s ALA 190 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1vit s ALA 190 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 175.76 176.11 1vit s GLU 192 N 0.82 4.26 0.00 0.00 2.02 -1.26 -2.70 118.70 121.83 1vit s GLU 192 Ca 0.00 1.99 0.00 0.00 0.02 0.00 0.00 54.97 56.98 1vit s GLU 192 Cb 0.00 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1vit s GLU 192 CO 0.00 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1vit n GLY 193 N 3.73 1.91 0.13 -1.39 0.00 -1.26 0.26 105.19 108.57 1vit n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1vit n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vit h ASP 194 N 0.60 0.00 -1.93 1.61 5.19 -1.84 -3.31 116.42 116.73 1vit h ASP 194 Ca 0.00 -0.05 -0.63 0.00 -0.62 0.00 0.00 57.03 55.73 1vit h ASP 194 Cb 0.00 0.00 0.11 0.00 0.18 0.00 0.00 39.33 39.62 1vit h ASP 194 CO 0.00 0.03 -0.09 -1.20 -3.12 0.00 0.00 179.24 174.85 1vit n SER 195 N -2.62 0.41 0.00 6.45 7.64 -1.26 -0.63 113.62 123.62 1vit n SER 195 Ca 0.02 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1vit n SER 195 Cb 0.51 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1vit n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vit n GLY 196 N 1.52 2.62 3.42 0.23 0.00 -0.33 -0.10 105.19 112.55 1vit n GLY 196 Ca 0.13 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1vit n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vit n GLY 197 N 0.00 -1.86 3.78 -0.02 0.00 0.20 -4.33 105.19 102.96 1vit n GLY 197 Ca 0.00 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1vit n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vit s PRO 198 N -2.75 4.60 -0.35 1.61 0.04 -1.26 -0.67 135.00 136.21 1vit s PRO 198 Ca 0.62 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 1vit s PRO 198 Cb -0.33 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.04 1vit s PRO 198 CO 0.61 0.53 0.15 0.12 0.04 0.00 0.00 177.00 178.45 1vit s PHE 199 N -1.21 3.25 0.44 0.56 2.19 0.43 -3.97 117.98 119.68 1vit s PHE 199 Ca 0.38 -1.25 0.07 0.00 0.33 0.00 0.00 56.93 56.46 1vit s PHE 199 Cb -0.23 -2.35 -0.02 0.00 -1.31 0.00 0.00 43.02 39.12 1vit s PHE 199 CO 0.27 -0.70 0.32 0.14 1.83 0.00 0.00 175.22 177.08 1vit s VAL 200 N 1.46 2.32 -0.10 3.12 -7.23 -0.75 -0.83 120.40 118.40 1vit s VAL 200 Ca -0.00 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 1vit s VAL 200 Cb -0.19 -2.81 0.03 0.00 0.56 0.00 0.00 36.38 33.97 1vit s VAL 200 CO 0.04 0.00 0.36 -0.04 -0.31 0.00 0.00 175.10 175.15 1vit s MET 201 N -4.09 0.53 -0.22 4.82 -1.94 -0.23 -2.47 119.30 115.70 1vit s MET 201 Ca 0.43 0.28 -0.13 0.00 -1.71 0.00 0.00 55.69 54.56 1vit s MET 201 Cb -0.01 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 37.04 1vit s MET 201 CO 0.25 -0.10 0.27 0.21 -0.01 0.00 0.00 175.02 175.64 1vit s LYS 202 N -0.34 4.13 0.23 2.03 2.20 -1.26 -0.54 119.74 126.19 1vit s LYS 202 Ca -0.05 -0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 1vit s LYS 202 Cb -0.03 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1vit s LYS 202 CO 0.02 0.03 1.24 0.45 -0.36 0.00 0.00 175.35 176.73 1vit s SER 203 N 1.01 6.99 0.09 1.43 0.15 -0.58 -4.94 113.70 117.85 1vit s SER 203 Ca 0.13 2.38 0.17 0.00 0.70 0.00 0.00 55.95 59.33 1vit s SER 203 Cb -0.14 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 61.44 1vit s SER 203 CO 0.06 -0.42 0.89 1.55 1.20 0.00 0.00 173.24 176.52 1vit h PRO 204 N 4.69 0.00 0.05 5.44 0.13 -1.97 -3.35 132.00 137.00 1vit h PRO 204 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1vit h PRO 204 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1vit h PRO 204 CO 0.72 0.29 -0.02 1.88 -0.23 0.00 0.00 178.00 180.64 1vit h TYR 204 N 0.00 -0.06 -2.32 1.56 -1.99 -1.98 -3.44 116.97 108.74 1vit h TYR 204 Ca -0.14 -0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.14 1vit h TYR 204 Cb 1.53 0.02 0.06 0.00 2.00 0.00 0.00 36.73 40.35 1vit h TYR 204 CO 0.00 0.56 0.03 1.21 -0.00 0.00 0.00 178.16 179.96 1vit s ASN 204 N -5.83 4.84 -0.14 3.88 3.84 -1.26 -5.03 114.94 115.24 1vit s ASN 204 Ca -0.14 -0.19 0.15 0.00 0.21 0.00 0.00 52.86 52.88 1vit s ASN 204 Cb -0.01 -0.45 0.35 0.00 -0.55 0.00 0.00 41.25 40.60 1vit s ASN 204 CO 0.53 -1.49 1.18 -3.20 -2.79 0.00 0.00 177.10 171.33 1vit n ASN 205 N -2.58 1.62 -4.80 -4.21 2.85 -1.25 -4.41 115.26 102.48 1vit n ASN 205 Ca 0.11 -3.24 -0.23 0.00 -0.11 0.00 0.00 54.58 51.11 1vit n ASN 205 Cb 0.60 -0.44 -0.05 0.00 1.24 0.00 0.00 39.78 41.13 1vit n ASN 205 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1vit s ARG 206 N -2.37 2.39 0.07 1.20 1.70 -1.26 -4.88 118.95 115.79 1vit s ARG 206 Ca 0.33 -1.66 -0.09 0.00 -0.47 0.00 0.00 55.73 53.84 1vit s ARG 206 Cb 0.32 -2.19 -0.06 0.00 -0.57 0.00 0.00 34.95 32.46 1vit s ARG 206 CO -0.05 -0.12 0.37 -1.58 -1.08 0.00 0.00 175.30 172.84 1vit s TRP 207 N -2.52 3.57 -0.09 5.89 0.52 -1.26 -1.52 118.94 123.53 1vit s TRP 207 Ca 0.44 0.72 -0.00 0.00 0.02 0.00 0.00 56.10 57.27 1vit s TRP 207 Cb -0.00 -2.11 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 1vit s TRP 207 CO 0.25 0.53 -0.06 0.71 0.02 0.00 0.00 176.95 178.40 1vit s TYR 208 N -1.40 1.18 -0.19 -1.98 2.02 0.30 -2.42 117.35 114.85 1vit s TYR 208 Ca 0.33 -0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 1vit s TYR 208 Cb -0.14 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 1vit s TYR 208 CO 0.18 -0.40 1.52 -1.14 -1.57 0.00 0.00 175.55 174.14 1vit s GLN 209 N 1.57 3.96 -0.01 -0.62 0.74 0.38 -1.07 119.66 124.62 1vit s GLN 209 Ca 0.01 1.70 0.19 0.00 0.05 0.00 0.00 55.36 57.31 1vit s GLN 209 Cb -0.13 -3.96 -0.24 0.00 1.10 0.00 0.00 33.01 29.78 1vit s GLN 209 CO -0.05 -1.09 0.63 -1.33 -0.55 0.00 0.00 175.29 172.90 1vit n MET 210 N 7.34 0.77 -3.71 1.67 2.81 -0.01 -4.13 117.12 121.86 1vit n MET 210 Ca 0.17 -0.07 -0.02 0.00 -1.81 0.00 0.00 57.70 55.97 1vit n MET 210 Cb 0.45 -1.40 -0.01 0.00 -0.71 0.00 0.00 33.22 31.55 1vit n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1vit s GLY 211 N -3.34 -0.30 -0.07 3.03 0.00 -0.77 -3.02 107.32 102.86 1vit s GLY 211 Ca 0.01 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1vit s GLY 211 CO 0.77 0.04 -0.06 -0.26 0.00 0.00 0.00 173.10 173.60 1vit s ILE 212 N -2.98 0.75 -0.93 0.90 -4.36 -1.13 -0.43 121.20 113.03 1vit s ILE 212 Ca 0.13 -0.18 -0.20 0.00 -0.26 0.00 0.00 60.65 60.14 1vit s ILE 212 Cb 0.01 -0.78 -0.25 0.00 1.25 0.00 0.00 42.46 42.68 1vit s ILE 212 CO 0.00 0.30 2.40 0.52 0.24 0.00 0.00 174.94 178.40 1vit n VAL 213 N 4.52 -0.01 -0.01 8.37 0.31 0.15 -1.26 118.33 130.41 1vit n VAL 213 Ca -0.17 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 63.81 1vit n VAL 213 Cb 0.51 -0.66 -0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1vit n VAL 213 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1vit h SER 214 N 12.33 0.00 -5.02 4.52 4.64 -1.85 -0.88 113.55 127.30 1vit h SER 214 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1vit h SER 214 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1vit h SER 214 CO 1.43 0.09 0.12 -1.66 -0.87 0.00 0.00 176.83 175.94 1vit s TRP 215 N -1.15 -0.45 0.27 4.77 1.48 -1.07 -4.84 118.94 117.95 1vit s TRP 215 Ca -0.02 0.27 -0.05 0.00 -1.06 0.00 0.00 56.10 55.24 1vit s TRP 215 Cb 0.00 0.45 -0.01 0.00 -1.16 0.00 0.00 33.47 32.75 1vit s TRP 215 CO 0.03 -0.78 0.36 0.20 -4.06 0.00 0.00 176.95 172.70 1vit s GLY 216 N -2.61 1.21 -0.87 3.67 0.00 -1.26 -0.33 107.32 107.12 1vit s GLY 216 Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1vit s GLY 216 CO -0.10 -1.02 1.11 -2.21 0.00 0.00 0.00 173.10 170.87 1vit n GLU 217 N -0.42 3.48 0.00 2.90 2.13 -1.26 -4.96 120.64 122.51 1vit n GLU 217 Ca 0.01 -4.61 0.00 0.00 0.66 0.00 0.00 57.16 53.22 1vit n GLU 217 Cb 0.63 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1vit n GLU 217 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vit n GLY 219 N 1.18 0.50 3.61 8.31 0.00 -1.26 -4.84 105.19 112.68 1vit n GLY 219 Ca 0.27 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1vit n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vit n ASP 221 N 5.82 -4.26 -4.64 0.00 2.03 -1.26 -4.64 116.55 109.60 1vit n ASP 221 Ca -0.01 -0.39 -0.39 0.00 0.52 0.00 0.00 54.79 54.52 1vit n ASP 221 Cb 0.49 -3.71 -0.08 0.00 -0.72 0.00 0.00 41.12 37.10 1vit n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1vit s ARG 221 N -5.66 4.11 -0.18 -0.67 0.52 -1.26 -4.99 118.95 110.82 1vit s ARG 221 Ca 0.30 0.19 -0.34 0.00 -0.52 0.00 0.00 55.73 55.36 1vit s ARG 221 Cb -0.13 -3.59 -0.11 0.00 0.52 0.00 0.00 34.95 31.63 1vit s ARG 221 CO 0.51 -0.18 1.99 -3.47 0.02 0.00 0.00 175.30 174.18 1vit n ASP 222 N 4.95 3.05 0.00 0.23 2.03 -1.26 -1.04 116.55 124.51 1vit n ASP 222 Ca -0.07 0.75 0.00 0.00 0.52 0.00 0.00 54.79 55.99 1vit n ASP 222 Cb 0.51 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1vit n ASP 222 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vit n GLY 223 N 5.07 0.53 3.13 0.27 0.00 -1.26 -5.01 105.19 107.91 1vit n GLY 223 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 1vit n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vit s LYS 224 N -1.00 2.29 0.40 1.61 -0.14 -0.21 -4.80 119.74 117.90 1vit s LYS 224 Ca 0.00 -0.65 0.07 0.00 -1.36 0.00 0.00 55.97 54.04 1vit s LYS 224 Cb 0.00 -1.81 -0.05 0.00 -1.68 0.00 0.00 37.83 34.29 1vit s LYS 224 CO 0.00 0.13 0.18 0.71 -0.76 0.00 0.00 175.35 175.61 1vit s TYR 225 N 0.42 2.62 -0.01 3.18 1.51 -1.26 -4.43 117.35 119.38 1vit s TYR 225 Ca -0.15 -0.56 -0.18 0.00 -1.01 0.00 0.00 57.07 55.18 1vit s TYR 225 Cb -0.16 -1.93 -0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1vit s TYR 225 CO 0.06 0.20 0.50 0.20 -1.11 0.00 0.00 175.55 175.39 1vit s GLY 226 N -3.90 2.53 -0.11 0.71 0.00 -0.94 -4.40 107.32 101.21 1vit s GLY 226 Ca 0.41 -0.10 -0.07 0.00 0.00 0.00 0.00 44.72 44.96 1vit s GLY 226 CO 0.23 0.48 0.15 -1.36 0.00 0.00 0.00 173.10 172.59 1vit s PHE 227 N -0.54 3.60 0.08 1.90 0.08 0.55 -0.75 117.98 122.90 1vit s PHE 227 Ca 0.27 0.53 0.06 0.00 0.12 0.00 0.00 56.93 57.91 1vit s PHE 227 Cb -0.17 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1vit s PHE 227 CO 0.15 0.73 -0.16 0.71 -0.10 0.00 0.00 175.22 176.55 1vit s TYR 228 N -1.05 1.36 0.00 0.36 1.51 0.43 -2.60 117.35 117.37 1vit s TYR 228 Ca 0.16 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 1vit s TYR 228 Cb -0.12 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.92 1vit s TYR 228 CO 0.05 0.10 1.31 0.99 -1.11 0.00 0.00 175.55 176.88 1vit s THR 229 N -1.27 3.90 -0.58 -0.71 2.01 -0.39 -1.60 115.64 117.00 1vit s THR 229 Ca 0.00 1.29 -0.27 0.00 0.31 0.00 0.00 61.69 63.02 1vit s THR 229 Cb -0.10 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1vit s THR 229 CO 0.03 0.02 1.81 -2.28 -0.69 0.00 0.00 174.62 173.51 1vit s HIS 230 N 2.03 1.73 0.17 4.92 2.46 -1.07 -2.82 115.29 122.72 1vit s HIS 230 Ca 0.61 0.73 -0.14 0.00 0.47 0.00 0.00 55.06 56.73 1vit s HIS 230 Cb -0.29 -4.13 0.07 0.00 -0.13 0.00 0.00 32.58 28.09 1vit s HIS 230 CO 0.26 -2.34 1.82 0.28 -2.47 0.00 0.00 174.74 172.28 1vit h VAL 231 N 6.82 1.15 -0.38 0.89 2.07 -1.87 -3.02 116.25 121.91 1vit h VAL 231 Ca -0.27 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1vit h VAL 231 Cb 1.16 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1vit h VAL 231 CO 1.20 0.15 -0.05 0.15 0.02 0.00 0.00 177.57 179.04 1vit h PHE 232 N 0.72 0.77 0.00 1.57 3.57 -1.88 -2.01 116.94 119.69 1vit h PHE 232 Ca 0.19 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1vit h PHE 232 Cb -0.04 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.50 1vit h PHE 232 CO -0.03 0.82 0.00 0.00 -2.23 0.00 0.00 178.31 176.87 1vit h ARG 233 N 0.50 0.00 -0.06 1.11 2.47 -1.89 -1.69 114.38 114.83 1vit h ARG 233 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1vit h ARG 233 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1vit h ARG 233 CO 0.03 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.84 1vit n LEU 234 N -2.29 2.39 -0.28 3.04 4.77 -1.07 -4.81 117.00 118.75 1vit n LEU 234 Ca -0.00 -2.49 -0.05 0.00 -0.03 0.00 0.00 56.01 53.43 1vit n LEU 234 Cb 0.09 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1vit n LEU 234 CO 0.13 0.62 1.12 0.50 -1.33 0.00 0.00 177.39 178.43 1vit h LYS 235 N 0.37 1.08 -0.70 3.23 3.64 -0.55 -2.72 116.57 120.92 1vit h LYS 235 Ca 0.00 -0.13 0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1vit h LYS 235 Cb 0.79 -0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 1vit h LYS 235 CO 0.02 0.81 0.08 -0.22 -2.27 0.00 0.00 179.45 177.87 1vit h LYS 236 N 1.07 0.17 -0.03 1.90 3.64 -1.87 0.52 116.57 121.96 1vit h LYS 236 Ca 0.27 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1vit h LYS 236 Cb 0.05 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1vit h LYS 236 CO -0.04 0.11 0.02 2.35 -2.27 0.00 0.00 179.45 179.63 1vit h TRP 237 N 0.18 0.00 -0.08 1.91 7.01 -1.87 0.27 115.95 123.37 1vit h TRP 237 Ca 0.38 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.34 1vit h TRP 237 Cb 0.65 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.71 1vit h TRP 237 CO -0.33 0.00 -0.12 0.82 -2.79 0.00 0.00 178.44 176.02 1vit h ILE 238 N 0.00 1.39 0.25 2.65 2.04 -0.03 -2.50 117.51 121.30 1vit h ILE 238 Ca 0.02 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1vit h ILE 238 Cb 0.06 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1vit h ILE 238 CO -0.00 0.38 -0.12 1.56 0.00 0.00 0.00 178.15 179.97 1vit h GLN 239 N -0.22 -0.32 -0.02 2.37 1.08 0.01 -0.06 115.11 117.95 1vit h GLN 239 Ca 0.01 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1vit h GLN 239 Cb 0.67 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1vit h GLN 239 CO 0.03 -0.20 0.15 -0.22 -0.95 0.00 0.00 178.83 177.64 1vit h LYS 240 N -0.35 0.00 0.01 1.46 3.64 -0.57 0.76 116.57 121.52 1vit h LYS 240 Ca -0.03 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.97 1vit h LYS 240 Cb 0.27 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 1vit h LYS 240 CO 0.06 0.00 -2.35 0.28 -2.27 0.00 0.00 179.45 175.16 1vit n VAL 241 N -3.10 1.48 0.05 2.00 0.31 -0.94 -4.51 118.33 113.62 1vit n VAL 241 Ca -0.02 -0.71 -0.16 0.00 -0.01 0.00 0.00 64.34 63.45 1vit n VAL 241 Cb 0.22 -1.04 -0.14 0.00 -0.91 0.00 0.00 33.84 31.97 1vit n VAL 241 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1vit h ILE 242 N 0.01 1.15 -4.96 2.52 2.04 -0.42 -3.49 117.51 114.36 1vit h ILE 242 Ca -0.54 -2.81 -0.34 0.00 1.00 0.00 0.00 64.86 62.17 1vit h ILE 242 Cb 2.06 2.73 0.11 0.00 -0.74 0.00 0.00 36.82 40.98 1vit h ILE 242 CO -0.02 0.80 -0.57 0.47 0.00 0.00 0.00 178.15 178.84 1vit n ASP 243 N -3.41 -5.68 -4.14 1.72 8.00 0.26 -4.93 116.55 108.36 1vit n ASP 243 Ca -0.16 -0.43 -0.42 0.00 0.71 0.00 0.00 54.79 54.49 1vit n ASP 243 Cb 1.04 -4.31 -0.01 0.00 -0.02 0.00 0.00 41.12 37.81 1vit n ASP 243 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1vit n ARG 244 N -4.22 3.60 0.00 -1.24 0.63 -1.26 -4.98 116.66 109.19 1vit n ARG 244 Ca -0.00 -4.51 0.00 0.00 -0.92 0.00 0.00 57.85 52.42 1vit n ARG 244 Cb 0.56 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.97 1vit n ARG 244 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1vit n LEU 245 N 2.09 0.00 -1.73 6.15 4.77 -1.26 -5.00 117.00 122.02 1vit n LEU 245 Ca 0.25 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 1vit n LEU 245 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1vit n LEU 245 CO 0.52 0.00 0.64 0.61 -1.33 0.00 0.00 177.39 177.83 1vit n GLY 246 N 5.00 -0.03 0.00 -0.72 0.00 -1.26 -5.28 105.19 102.90 1vit n GLY 246 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1vit n GLY 246 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06