#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 4.85 -1.28 1.39 1.01 -1.26 -4.32 120.40 120.79 1vit s VAL 17 Ca 0.00 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 1vit s VAL 17 Cb 0.00 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1vit s VAL 17 CO 0.00 0.36 0.75 -0.62 0.00 0.00 0.00 175.10 175.59 1vit n GLU 18 N 2.94 -4.88 -4.18 2.72 -0.58 -1.26 -5.02 120.64 110.38 1vit n GLU 18 Ca -0.04 0.65 -0.16 0.00 -0.42 0.00 0.00 57.16 57.19 1vit n GLU 18 Cb 0.51 -5.24 -0.14 0.00 -0.57 0.00 0.00 31.44 25.99 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 -4.30 0.30 0.64 0.62 0.00 -1.26 -5.15 107.32 98.18 1vit s GLY 19 Ca 0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.34 1vit s GLY 19 CO 0.80 -0.25 1.05 -0.86 0.00 0.00 0.00 173.10 173.84 1vit s GLN 20 N -0.24 3.23 0.17 2.90 -2.07 -1.26 -4.99 119.66 117.41 1vit s GLN 20 Ca 0.01 0.97 -0.33 0.00 -1.82 0.00 0.00 55.36 54.19 1vit s GLN 20 Cb -0.03 -2.03 -0.13 0.00 -1.09 0.00 0.00 33.01 29.73 1vit s GLN 20 CO -0.00 -0.87 1.62 -0.25 -1.32 0.00 0.00 175.29 174.46 1vit n ASP 21 N -2.69 3.31 -4.77 12.60 8.00 -1.26 -4.95 116.55 126.79 1vit n ASP 21 Ca 0.07 1.08 -0.37 0.00 0.71 0.00 0.00 54.79 56.28 1vit n ASP 21 Cb 0.53 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 1vit n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vit s ALA 22 N 1.00 2.96 0.77 2.24 0.00 -1.26 -5.01 121.76 122.47 1vit s ALA 22 Ca 0.78 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1vit s ALA 22 Cb -0.64 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.18 1vit s ALA 22 CO 0.37 -0.60 1.10 -1.21 0.00 0.00 0.00 175.76 175.42 1vit s GLU 23 N -2.74 2.29 -0.06 0.00 2.02 -1.26 -4.94 118.70 114.01 1vit s GLU 23 Ca 0.64 0.53 -0.30 0.00 0.02 0.00 0.00 54.97 55.86 1vit s GLU 23 Cb -0.27 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 1vit s GLU 23 CO 0.32 -1.45 1.63 0.08 0.02 0.00 0.00 175.26 175.86 1vit s VAL 24 N -3.25 3.62 -0.51 2.63 1.01 -1.26 -2.12 120.40 120.51 1vit s VAL 24 Ca 0.60 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1vit s VAL 24 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1vit s VAL 24 CO 0.53 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1vit n GLY 25 N 4.10 0.75 0.17 4.51 0.00 -1.26 -4.90 105.19 108.55 1vit n GLY 25 Ca 0.17 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 -6.39 0.99 5.85 -1.79 -3.39 115.31 110.57 1vit h LEU 26 Ca -0.10 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.43 1vit h LEU 26 Cb 0.36 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.10 1vit h LEU 26 CO 0.14 0.00 -0.52 -0.44 -0.34 0.00 0.00 178.44 177.28 1vit s SER 27 N -4.84 0.47 0.14 1.25 0.01 -1.26 -4.97 113.70 104.50 1vit s SER 27 Ca 0.05 -0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.22 1vit s SER 27 Cb 0.09 1.04 -0.16 0.00 0.21 0.00 0.00 66.02 67.20 1vit s SER 27 CO 0.49 -0.34 1.26 -0.65 0.41 0.00 0.00 173.24 174.42 1vit h PRO 28 N 8.18 0.00 0.00 12.44 0.11 -1.78 -3.36 132.00 147.59 1vit h PRO 28 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1vit h PRO 28 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vit h PRO 28 CO 0.28 0.87 -0.10 -2.67 -0.21 0.00 0.00 178.00 176.17 1vit n TRP 29 N -3.30 0.03 -1.69 0.65 2.14 -0.47 -2.33 117.44 112.47 1vit n TRP 29 Ca -0.01 0.01 -0.53 0.00 2.07 0.00 0.00 57.50 59.04 1vit n TRP 29 Cb 0.91 -0.47 -0.06 0.00 -0.81 0.00 0.00 31.31 30.88 1vit n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1vit n GLN 30 N -1.52 1.66 -4.35 -2.67 -0.06 -1.26 -1.86 117.38 107.32 1vit n GLN 30 Ca 0.07 0.60 -0.26 0.00 -2.00 0.00 0.00 57.00 55.41 1vit n GLN 30 Cb 0.34 -2.39 -0.12 0.00 -4.06 0.00 0.00 30.24 24.00 1vit n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1vit s VAL 31 N 4.04 2.02 -0.19 1.69 1.01 -0.62 -3.21 120.40 125.14 1vit s VAL 31 Ca 0.96 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1vit s VAL 31 Cb -0.87 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 33.72 1vit s VAL 31 CO 0.58 -0.03 -0.08 -0.32 0.00 0.00 0.00 175.10 175.25 1vit s MET 32 N -2.15 1.77 -0.63 2.72 1.75 -0.91 -0.04 119.30 121.81 1vit s MET 32 Ca 0.12 -0.75 -0.27 0.00 -1.25 0.00 0.00 55.69 53.54 1vit s MET 32 Cb -0.09 -2.30 0.01 0.00 2.84 0.00 0.00 34.83 35.29 1vit s MET 32 CO 0.06 -0.45 1.45 -0.51 -0.65 0.00 0.00 175.02 174.91 1vit s LEU 33 N 1.48 3.30 -0.23 4.11 1.43 0.15 -1.60 118.68 127.33 1vit s LEU 33 Ca -0.01 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 1vit s LEU 33 Cb -0.16 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1vit s LEU 33 CO -0.08 -1.87 0.17 0.12 0.23 0.00 0.00 176.35 174.93 1vit s PHE 34 N 6.47 3.35 -0.04 0.29 5.36 0.01 -1.55 117.98 131.86 1vit s PHE 34 Ca 0.49 0.29 -0.29 0.00 -0.96 0.00 0.00 56.93 56.46 1vit s PHE 34 Cb -0.10 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1vit s PHE 34 CO 0.21 0.12 0.94 -0.98 -1.46 0.00 0.00 175.22 174.04 1vit s ARG 35 N 0.89 4.51 0.00 10.12 1.70 0.13 -1.53 118.95 134.76 1vit s ARG 35 Ca 0.09 1.32 0.00 0.00 -0.47 0.00 0.00 55.73 56.66 1vit s ARG 35 Cb -0.13 -3.48 0.00 0.00 -0.57 0.00 0.00 34.95 30.77 1vit s ARG 35 CO 0.03 -0.09 0.39 1.17 -1.08 0.00 0.00 175.30 175.72 1vit n LYS 36 N 4.13 0.00 -4.02 3.89 4.81 -1.17 -1.79 118.16 124.01 1vit n LYS 36 Ca 0.05 0.21 -0.30 0.00 -0.87 0.00 0.00 58.31 57.40 1vit n LYS 36 Cb 0.51 -0.89 -0.16 0.00 0.02 0.00 0.00 35.03 34.50 1vit n LYS 36 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1vit s SER 36 N -2.53 2.71 0.61 3.14 0.15 -1.26 -0.91 113.70 115.61 1vit s SER 36 Ca 0.00 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 1vit s SER 36 Cb 0.00 -1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.08 1vit s SER 36 CO 0.00 -0.06 1.03 -2.16 1.20 0.00 0.00 173.24 173.26 1vit s PRO 37 N 1.48 3.46 -0.13 5.44 0.04 -1.26 -5.04 135.00 138.98 1vit s PRO 37 Ca 0.05 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1vit s PRO 37 Cb -0.13 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1vit s PRO 37 CO -0.11 -0.68 1.74 1.14 0.04 0.00 0.00 177.00 179.13 1vit s GLN 38 N -4.76 3.90 -0.26 4.56 0.00 -0.09 -4.61 119.66 118.40 1vit s GLN 38 Ca 0.58 2.00 -0.25 0.00 -0.00 0.00 0.00 55.36 57.69 1vit s GLN 38 Cb -0.12 -4.07 0.08 0.00 0.00 0.00 0.00 33.01 28.90 1vit s GLN 38 CO 0.47 -1.18 0.78 -2.00 0.00 0.00 0.00 175.29 173.36 1vit s GLU 39 N 4.60 0.78 -0.60 9.60 2.12 -0.74 -4.96 118.70 129.51 1vit s GLU 39 Ca 0.77 0.88 -0.27 0.00 0.36 0.00 0.00 54.97 56.72 1vit s GLU 39 Cb -0.31 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 1vit s GLU 39 CO 0.31 -0.10 1.88 -1.17 -0.54 0.00 0.00 175.26 175.64 1vit s LEU 40 N 0.26 3.30 -0.05 2.70 2.96 -1.26 -0.70 118.68 125.89 1vit s LEU 40 Ca 0.00 0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.21 1vit s LEU 40 Cb -0.05 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1vit s LEU 40 CO 0.00 -2.37 0.41 0.25 -1.32 0.00 0.00 176.35 173.31 1vit h LEU 41 N 16.45 -0.29 -7.55 -0.68 6.46 -1.65 -3.49 115.31 124.56 1vit h LEU 41 Ca -0.26 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1vit h LEU 41 Cb 1.17 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 41.09 1vit h LEU 41 CO 1.21 0.14 0.22 0.00 -0.62 0.00 0.00 178.44 179.39 1vit n GLY 43 N -0.42 -1.11 3.90 0.00 0.00 -1.26 0.31 105.19 106.60 1vit n GLY 43 Ca -0.10 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1vit n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vit s ALA 44 N -3.89 -1.95 0.14 4.61 0.00 0.94 -4.39 121.76 117.22 1vit s ALA 44 Ca 0.30 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1vit s ALA 44 Cb -0.01 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1vit s ALA 44 CO 0.21 -1.09 -0.02 -1.54 0.00 0.00 0.00 175.76 173.31 1vit s SER 45 N -3.50 1.14 -0.45 0.00 1.04 -0.63 -1.59 113.70 109.71 1vit s SER 45 Ca 0.24 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.60 1vit s SER 45 Cb -0.01 0.12 0.12 0.00 0.10 0.00 0.00 66.02 66.34 1vit s SER 45 CO 0.02 -0.53 0.18 -0.22 0.98 0.00 0.00 173.24 173.67 1vit s LEU 46 N -3.11 4.53 0.00 2.42 0.20 -0.78 -1.05 118.68 120.89 1vit s LEU 46 Ca 0.19 -2.65 0.12 0.00 0.69 0.00 0.00 54.13 52.48 1vit s LEU 46 Cb 0.06 -1.64 0.44 0.00 -0.43 0.00 0.00 46.19 44.62 1vit s LEU 46 CO 0.00 -0.30 1.33 2.30 -0.29 0.00 0.00 176.35 179.39 1vit n ILE 47 N 3.61 0.25 0.00 6.68 -5.35 -0.74 -2.77 119.36 121.04 1vit n ILE 47 Ca 0.05 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1vit n ILE 47 Cb 0.36 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1vit n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1vit n SER 48 N 0.10 0.00 0.00 7.28 3.41 -1.22 -4.81 113.62 118.39 1vit n SER 48 Ca 0.11 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.78 1vit n SER 48 Cb 0.21 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.48 1vit n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vit n ASP 49 N 0.00 0.00 0.00 4.04 5.75 -1.26 -3.54 116.55 121.54 1vit n ASP 49 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1vit n ASP 49 Cb 0.00 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1vit n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1vit n ARG 50 N -1.26 0.00 -3.29 0.11 3.00 -1.26 -2.78 116.66 111.18 1vit n ARG 50 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.52 1vit n ARG 50 Cb 0.09 -0.75 -0.06 0.00 0.00 0.00 0.00 32.46 31.75 1vit n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1vit s TRP 51 N -1.95 3.73 -0.13 -1.55 0.52 -1.23 0.05 118.94 118.38 1vit s TRP 51 Ca 0.00 1.17 0.01 0.00 0.02 0.00 0.00 56.10 57.30 1vit s TRP 51 Cb 0.00 -2.50 0.02 0.00 -1.15 0.00 0.00 33.47 29.83 1vit s TRP 51 CO 0.00 0.49 -0.16 0.08 0.02 0.00 0.00 176.95 177.37 1vit s VAL 52 N -0.67 1.64 -0.21 4.03 1.01 -0.41 -1.79 120.40 124.01 1vit s VAL 52 Ca 0.28 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1vit s VAL 52 Cb -0.18 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1vit s VAL 52 CO 0.17 0.47 0.12 -0.22 0.00 0.00 0.00 175.10 175.63 1vit s LEU 53 N 1.10 4.05 0.00 3.92 2.96 -0.22 -0.73 118.68 129.76 1vit s LEU 53 Ca -0.03 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1vit s LEU 53 Cb -0.14 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1vit s LEU 53 CO -0.04 0.13 0.11 0.35 -1.32 0.00 0.00 176.35 175.58 1vit n THR 54 N 3.81 0.00 -3.57 3.68 -2.24 0.12 -1.61 114.28 114.47 1vit n THR 54 Ca -0.16 -1.13 -0.36 0.00 -2.27 0.00 0.00 64.05 60.13 1vit n THR 54 Cb 0.52 0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 1vit n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vit s ALA 55 N -2.60 3.61 0.16 6.98 0.00 -1.26 -0.00 121.76 128.65 1vit s ALA 55 Ca 0.16 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 1vit s ALA 55 Cb 0.01 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1vit s ALA 55 CO 0.11 0.01 1.46 0.00 0.00 0.00 0.00 175.76 177.34 1vit n ALA 56 N 3.80 -0.56 0.00 0.00 0.00 -0.90 -1.57 120.51 121.27 1vit n ALA 56 Ca -0.13 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1vit n ALA 56 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1vit n ALA 56 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1vit n HIS 57 N -5.21 0.00 0.25 0.00 1.44 -1.23 0.71 115.22 111.19 1vit n HIS 57 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 1vit n HIS 57 Cb 0.26 -0.08 0.07 0.00 0.12 0.00 0.00 29.99 30.35 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 -2.56 1.65 -4.46 0.00 7.99 0.22 -4.86 117.00 114.98 1vit n LEU 59 Ca 0.01 0.26 -0.36 0.00 -0.01 0.00 0.00 56.01 55.92 1vit n LEU 59 Cb 0.52 -0.60 -0.12 0.00 -0.11 0.00 0.00 43.42 43.10 1vit n LEU 59 CO 0.38 -0.38 -0.30 -0.22 -1.51 0.00 0.00 177.39 175.37 1vit s LEU 60 N -7.57 3.40 0.05 2.23 2.96 -0.73 -2.44 118.68 116.58 1vit s LEU 60 Ca -0.20 -0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 53.25 1vit s LEU 60 Cb 0.03 -1.89 0.09 0.00 0.50 0.00 0.00 46.19 44.92 1vit s LEU 60 CO 0.29 0.01 0.87 -0.47 -1.32 0.00 0.00 176.35 175.73 1vit s TYR 60 N 1.35 -0.31 0.00 5.38 5.04 -0.67 -3.49 117.35 124.64 1vit s TYR 60 Ca 0.05 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1vit s TYR 60 Cb -0.15 0.57 0.00 0.00 0.35 0.00 0.00 41.96 42.73 1vit s TYR 60 CO 0.03 -0.65 0.00 -2.30 -1.34 0.00 0.00 175.55 171.29 1vit n PRO 60 N -0.31 0.00 -1.10 4.97 -0.02 -1.26 -0.76 135.00 136.52 1vit n PRO 60 Ca -0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.26 1vit n PRO 60 Cb 0.62 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.35 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 2.68 -2.38 6.00 7.02 -1.26 -4.89 117.44 124.61 1vit n TRP 60 Ca 0.00 -1.43 -0.12 0.00 -1.02 0.00 0.00 57.50 54.92 1vit n TRP 60 Cb 0.00 -0.79 -0.01 0.00 -2.42 0.00 0.00 31.31 28.10 1vit n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1vit n ASP 60 N -0.50 -3.90 -4.70 -0.99 8.00 -1.02 -4.92 116.55 108.51 1vit n ASP 60 Ca 0.48 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.76 1vit n ASP 60 Cb 1.49 -3.33 -0.03 0.00 -0.02 0.00 0.00 41.12 39.23 1vit n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vit s LYS 60 N -4.92 4.49 -0.40 -1.24 1.02 0.06 -4.92 119.74 113.84 1vit s LYS 60 Ca 0.00 1.35 -0.01 0.00 0.02 0.00 0.00 55.97 57.32 1vit s LYS 60 Cb 0.00 -3.49 0.22 0.00 -0.52 0.00 0.00 37.83 34.04 1vit s LYS 60 CO 0.00 -0.14 1.02 -1.71 -0.92 0.00 0.00 175.35 173.61 1vit n ASN 60 N 4.30 -2.04 -4.79 2.83 2.85 -1.02 -1.67 115.26 115.71 1vit n ASN 60 Ca 0.06 -1.83 -0.36 0.00 -0.11 0.00 0.00 54.58 52.34 1vit n ASN 60 Cb 0.50 1.08 -0.06 0.00 1.24 0.00 0.00 39.78 42.54 1vit n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1vit s PHE 60 N 0.74 3.62 0.18 1.20 0.08 -1.13 -5.04 117.98 117.63 1vit s PHE 60 Ca 0.26 1.70 0.08 0.00 0.12 0.00 0.00 56.93 59.09 1vit s PHE 60 Cb 0.13 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 1vit s PHE 60 CO -0.10 0.18 -0.05 -0.08 -0.10 0.00 0.00 175.22 175.07 1vit s THR 60 N -1.69 3.47 0.32 0.64 -1.32 -1.26 -4.95 115.64 110.85 1vit s THR 60 Ca 0.51 -1.53 0.20 0.00 -1.21 0.00 0.00 61.69 59.66 1vit s THR 60 Cb -0.17 -2.73 0.32 0.00 -1.51 0.00 0.00 72.50 68.41 1vit s THR 60 CO 0.22 -0.11 1.27 0.52 -2.21 0.00 0.00 174.62 174.31 1vit n VAL 61 N -0.03 -0.29 0.49 5.08 0.31 -1.26 0.19 118.33 122.81 1vit n VAL 61 Ca -0.10 1.58 0.04 0.00 -0.01 0.00 0.00 64.34 65.84 1vit n VAL 61 Cb 0.55 -2.57 0.24 0.00 -0.91 0.00 0.00 33.84 31.15 1vit n VAL 61 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vit n ASP 62 N -4.65 0.00 -0.10 4.52 8.00 -1.26 -1.46 116.55 121.60 1vit n ASP 62 Ca 0.31 -0.17 0.01 0.00 0.71 0.00 0.00 54.79 55.66 1vit n ASP 62 Cb 1.12 -0.06 0.02 0.00 -0.02 0.00 0.00 41.12 42.17 1vit n ASP 62 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1vit n ASP 63 N -1.06 1.44 -4.05 -2.24 8.00 0.50 -4.98 116.55 114.17 1vit n ASP 63 Ca 0.06 -1.32 -0.26 0.00 0.71 0.00 0.00 54.79 53.97 1vit n ASP 63 Cb 0.04 -0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 40.96 1vit n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vit s LEU 64 N -0.40 1.69 -0.02 0.64 1.43 -0.53 -3.03 118.68 118.46 1vit s LEU 64 Ca 0.03 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1vit s LEU 64 Cb 0.02 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 1vit s LEU 64 CO 0.03 0.04 -0.04 -0.76 0.23 0.00 0.00 176.35 175.85 1vit s LEU 65 N 0.74 3.33 -0.17 1.79 1.43 -0.58 -4.26 118.68 120.97 1vit s LEU 65 Ca -0.13 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1vit s LEU 65 Cb -0.16 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1vit s LEU 65 CO 0.03 0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 176.05 1vit s VAL 66 N -0.99 2.43 -0.43 -1.59 1.01 -1.17 -0.81 120.40 118.86 1vit s VAL 66 Ca 0.17 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1vit s VAL 66 Cb -0.11 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.34 1vit s VAL 66 CO 0.07 0.52 0.26 -0.13 0.00 0.00 0.00 175.10 175.82 1vit s ARG 67 N 1.02 2.37 -0.07 2.72 3.00 -0.62 -0.96 118.95 126.40 1vit s ARG 67 Ca -0.02 -1.66 -0.10 0.00 0.00 0.00 0.00 55.73 53.95 1vit s ARG 67 Cb -0.15 -3.74 -0.05 0.00 0.00 0.00 0.00 34.95 31.02 1vit s ARG 67 CO -0.04 -1.06 0.25 0.42 0.00 0.00 0.00 175.30 174.87 1vit s ILE 68 N 1.31 5.31 -0.46 1.52 1.09 -1.04 -2.14 121.20 126.79 1vit s ILE 68 Ca 0.05 0.47 0.00 0.00 -1.10 0.00 0.00 60.65 60.07 1vit s ILE 68 Cb -0.24 -3.53 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 1vit s ILE 68 CO -0.01 0.60 0.00 0.61 -0.10 0.00 0.00 174.94 176.04 1vit n GLY 69 N 1.95 0.41 3.93 6.18 0.00 -1.20 -0.91 105.19 115.55 1vit n GLY 69 Ca -0.17 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.51 3.42 0.00 1.61 2.20 -1.26 -3.90 119.74 118.31 1vit s LYS 70 Ca 0.00 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1vit s LYS 70 Cb 0.00 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1vit s LYS 70 CO 0.00 -0.02 0.00 1.58 -0.36 0.00 0.00 175.35 176.55 1vit n HIS 71 N -1.97 0.00 -2.93 4.03 -0.00 -1.26 -5.04 115.22 108.05 1vit n HIS 71 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.29 1vit n HIS 71 Cb 0.56 0.10 -0.04 0.00 -0.00 0.00 0.00 29.99 30.61 1vit n HIS 71 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1vit s SER 72 N -3.62 6.91 0.36 0.26 0.01 -1.26 -4.97 113.70 111.39 1vit s SER 72 Ca 0.00 1.12 0.14 0.00 1.31 0.00 0.00 55.95 58.51 1vit s SER 72 Cb 0.00 -2.44 0.98 0.00 0.21 0.00 0.00 66.02 64.77 1vit s SER 72 CO 0.00 -0.37 1.78 -0.09 0.41 0.00 0.00 173.24 174.96 1vit h ARG 73 N 7.35 0.50 0.00 12.44 2.43 -2.03 -3.31 114.38 131.77 1vit h ARG 73 Ca -0.30 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.71 1vit h ARG 73 Cb 1.13 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1vit h ARG 73 CO 0.83 0.33 -1.51 0.25 -1.51 0.00 0.00 179.97 178.35 1vit n THR 74 N -4.69 0.52 -2.15 0.20 -2.24 -1.26 -5.04 114.28 99.61 1vit n THR 74 Ca 0.24 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1vit n THR 74 Cb 0.76 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 1vit n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vit s ARG 75 N -2.18 4.33 -0.67 -0.78 1.70 -1.25 -4.95 118.95 115.14 1vit s ARG 75 Ca -0.12 2.11 -0.27 0.00 -0.47 0.00 0.00 55.73 56.98 1vit s ARG 75 Cb 0.03 -3.21 0.00 0.00 -0.57 0.00 0.00 34.95 31.20 1vit s ARG 75 CO 0.21 -0.39 1.57 -0.47 -1.08 0.00 0.00 175.30 175.14 1vit s TYR 76 N 0.72 1.97 -1.25 5.89 5.04 -1.26 -4.75 117.35 123.72 1vit s TYR 76 Ca 0.62 0.37 -0.18 0.00 -2.44 0.00 0.00 57.07 55.45 1vit s TYR 76 Cb -0.38 -4.36 -0.00 0.00 0.35 0.00 0.00 41.96 37.57 1vit s TYR 76 CO 0.34 -2.19 1.97 0.39 -1.34 0.00 0.00 175.55 174.72 1vit n GLU 77 N 9.27 2.56 -0.27 4.97 1.02 -1.26 -4.84 120.64 132.09 1vit n GLU 77 Ca 0.12 -2.68 0.21 0.00 -0.02 0.00 0.00 57.16 54.79 1vit n GLU 77 Cb 0.50 -3.36 0.33 0.00 -0.02 0.00 0.00 31.44 28.90 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 7.33 0.00 -0.10 3.49 0.63 -1.26 -1.85 116.66 124.90 1vit n ARG 77 Ca 0.50 0.49 -0.18 0.00 -0.92 0.00 0.00 57.85 57.74 1vit n ARG 77 Cb 0.43 -1.16 -0.07 0.00 0.45 0.00 0.00 32.46 32.10 1vit n ARG 77 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1vit n LYS 78 N -2.69 0.43 -0.00 -0.14 5.02 -1.26 -4.86 118.16 114.65 1vit n LYS 78 Ca 0.18 0.15 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1vit n LYS 78 Cb 0.87 -1.25 -0.11 0.00 -0.02 0.00 0.00 35.03 34.52 1vit n LYS 78 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1vit n VAL 79 N -3.57 1.24 -3.26 -0.18 0.24 -0.77 -4.91 118.33 107.11 1vit n VAL 79 Ca -0.36 -0.73 -0.40 0.00 -2.04 0.00 0.00 64.34 60.81 1vit n VAL 79 Cb 0.80 -0.72 -0.08 0.00 -1.47 0.00 0.00 33.84 32.38 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 -2.82 4.08 -0.35 7.34 -1.05 -1.01 -4.76 118.70 120.13 1vit s GLU 80 Ca -0.05 0.30 -0.13 0.00 -0.15 0.00 0.00 54.97 54.94 1vit s GLU 80 Cb 0.08 -3.64 -0.01 0.00 -0.44 0.00 0.00 34.13 30.13 1vit s GLU 80 CO 0.82 -0.30 0.24 0.15 0.95 0.00 0.00 175.26 177.12 1vit s LYS 81 N 2.15 3.34 -0.35 -4.83 -0.14 -0.09 -4.86 119.74 114.96 1vit s LYS 81 Ca 0.21 -0.75 -0.24 0.00 -1.36 0.00 0.00 55.97 53.82 1vit s LYS 81 Cb -0.16 -3.81 0.01 0.00 -1.68 0.00 0.00 37.83 32.19 1vit s LYS 81 CO 0.09 -0.52 0.83 0.42 -0.76 0.00 0.00 175.35 175.42 1vit s ILE 82 N 1.69 4.70 0.13 2.17 1.09 -1.26 -2.48 121.20 127.24 1vit s ILE 82 Ca 0.05 1.05 0.02 0.00 -1.10 0.00 0.00 60.65 60.68 1vit s ILE 82 Cb -0.18 -4.23 0.02 0.00 -1.06 0.00 0.00 42.46 37.01 1vit s ILE 82 CO 0.10 -0.42 0.15 -0.24 -0.10 0.00 0.00 174.94 174.42 1vit n SER 83 N 6.47 0.80 -4.07 3.58 2.88 -0.14 -4.94 113.62 118.20 1vit n SER 83 Ca 0.04 -1.37 -0.10 0.00 -1.33 0.00 0.00 58.87 56.12 1vit n SER 83 Cb 0.48 -0.06 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 1vit n SER 83 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1vit s MET 84 N -2.55 0.56 0.31 -1.46 -1.94 -1.26 -3.01 119.30 109.94 1vit s MET 84 Ca 0.11 -0.98 0.06 0.00 -1.71 0.00 0.00 55.69 53.17 1vit s MET 84 Cb -0.01 -0.01 -0.01 0.00 2.01 0.00 0.00 34.83 36.81 1vit s MET 84 CO 0.07 -0.04 0.44 -0.51 -0.01 0.00 0.00 175.02 174.97 1vit s LEU 85 N -2.27 4.05 -0.35 -0.03 2.01 -1.26 -1.12 118.68 119.71 1vit s LEU 85 Ca -0.02 -0.13 0.03 0.00 0.01 0.00 0.00 54.13 54.03 1vit s LEU 85 Cb -0.01 -2.77 0.16 0.00 0.01 0.00 0.00 46.19 43.57 1vit s LEU 85 CO -0.04 -0.35 0.43 -0.62 1.01 0.00 0.00 176.35 176.78 1vit s ASP 86 N -4.13 0.48 0.00 2.29 2.15 -0.75 -4.50 116.67 112.21 1vit s ASP 86 Ca 0.42 -1.03 0.00 0.00 0.43 0.00 0.00 52.55 52.37 1vit s ASP 86 Cb -0.09 0.97 0.00 0.00 -0.30 0.00 0.00 42.92 43.50 1vit s ASP 86 CO 0.31 -0.28 0.00 0.29 -0.17 0.00 0.00 175.17 175.32 1vit n LYS 87 N 4.67 0.00 -4.41 4.34 5.02 -1.26 -4.35 118.16 122.17 1vit n LYS 87 Ca 0.07 0.24 -0.30 0.00 -2.02 0.00 0.00 58.31 56.30 1vit n LYS 87 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.38 1vit n LYS 87 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1vit s ILE 88 N -0.30 2.77 -0.31 -0.18 -4.36 -1.26 -2.00 121.20 115.56 1vit s ILE 88 Ca 0.00 -1.44 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 1vit s ILE 88 Cb 0.00 -2.24 0.09 0.00 1.25 0.00 0.00 42.46 41.56 1vit s ILE 88 CO 0.00 0.16 0.01 -0.31 0.24 0.00 0.00 174.94 175.05 1vit s TYR 89 N -1.08 3.23 -0.12 1.37 2.02 -0.31 -5.01 117.35 117.45 1vit s TYR 89 Ca 0.17 -2.56 -0.13 0.00 -0.37 0.00 0.00 57.07 54.17 1vit s TYR 89 Cb -0.10 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 1vit s TYR 89 CO 0.08 -0.91 0.30 0.42 -1.57 0.00 0.00 175.55 173.88 1vit s ILE 90 N 1.09 5.27 0.22 2.71 1.01 -1.26 -2.12 121.20 128.12 1vit s ILE 90 Ca 0.05 0.58 -0.32 0.00 0.00 0.00 0.00 60.65 60.96 1vit s ILE 90 Cb -0.19 -3.62 -0.14 0.00 0.01 0.00 0.00 42.46 38.51 1vit s ILE 90 CO -0.10 0.46 1.29 1.57 0.00 0.00 0.00 174.94 178.16 1vit n HIS 91 N 3.00 1.76 0.24 3.97 -0.00 -1.24 -4.92 115.22 118.03 1vit n HIS 91 Ca -0.13 0.55 -0.10 0.00 -0.00 0.00 0.00 57.72 58.04 1vit n HIS 91 Cb 0.52 -2.37 -0.05 0.00 -0.00 0.00 0.00 29.99 28.09 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 3.74 -0.61 -2.94 1.57 0.13 -1.96 -3.28 132.00 128.65 1vit h PRO 92 Ca -0.44 0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.18 1vit h PRO 92 Cb 1.31 0.14 0.01 0.00 0.13 0.00 0.00 31.00 32.59 1vit h PRO 92 CO 0.72 -0.41 3.06 0.54 -0.23 0.00 0.00 178.00 181.69 1vit n ARG 93 N -3.86 3.18 -3.00 0.86 1.74 -1.26 -4.88 116.66 109.44 1vit n ARG 93 Ca -0.08 -1.90 -0.40 0.00 -0.77 0.00 0.00 57.85 54.71 1vit n ARG 93 Cb 0.26 -2.62 -0.05 0.00 -1.02 0.00 0.00 32.46 29.03 1vit n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1vit s TYR 94 N 2.22 3.62 -1.02 -1.55 5.04 -1.24 -4.61 117.35 119.80 1vit s TYR 94 Ca 0.64 1.34 -0.04 0.00 -2.44 0.00 0.00 57.07 56.57 1vit s TYR 94 Cb 0.18 -2.84 0.28 0.00 0.35 0.00 0.00 41.96 39.93 1vit s TYR 94 CO -0.05 0.11 1.20 -1.71 -1.34 0.00 0.00 175.55 173.76 1vit n ASN 95 N 3.61 5.56 -0.03 4.32 2.85 -0.75 -4.84 115.26 125.98 1vit n ASN 95 Ca -0.01 -3.26 0.01 0.00 -0.11 0.00 0.00 54.58 51.21 1vit n ASN 95 Cb 0.51 -1.21 0.32 0.00 1.24 0.00 0.00 39.78 40.64 1vit n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1vit h TRP 96 N 5.75 0.59 0.01 1.20 5.08 -1.89 0.60 115.95 127.28 1vit h TRP 96 Ca 0.19 -0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.13 1vit h TRP 96 Cb 0.72 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 1vit h TRP 96 CO 0.86 0.49 -0.00 1.57 -1.28 0.00 0.00 178.44 180.08 1vit h LYS 97 N 0.58 -0.01 -0.63 0.12 2.10 -1.99 -3.38 116.57 113.35 1vit h LYS 97 Ca 0.14 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.70 1vit h LYS 97 Cb 0.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 1vit h LYS 97 CO -0.01 -0.01 0.04 1.49 -2.00 0.00 0.00 179.45 178.96 1vit h GLU 97 N -0.35 1.09 0.00 0.07 4.22 -1.99 -3.42 114.58 114.21 1vit h GLU 97 Ca -0.00 -0.33 0.00 0.00 0.08 0.00 0.00 59.36 59.11 1vit h GLU 97 Cb 0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1vit h GLU 97 CO 0.00 1.04 0.00 0.27 -2.18 0.00 0.00 179.01 178.14 1vit n ASN 98 N -4.20 0.00 -1.43 1.04 0.23 -1.20 -5.00 115.26 104.70 1vit n ASN 98 Ca 0.03 -0.98 -0.18 0.00 -0.53 0.00 0.00 54.58 52.92 1vit n ASN 98 Cb 0.33 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.95 1vit n ASN 98 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1vit n LEU 99 N 0.00 -1.24 -4.52 -4.53 7.94 0.21 -4.94 117.00 109.92 1vit n LEU 99 Ca 0.00 0.46 -0.36 0.00 -1.11 0.00 0.00 56.01 55.00 1vit n LEU 99 Cb 0.49 -2.80 0.08 0.00 0.53 0.00 0.00 43.42 41.72 1vit n LEU 99 CO 0.00 -1.07 0.23 -0.67 -1.11 0.00 0.00 177.39 174.77 1vit n ASP 100 N -1.31 -0.66 -4.11 1.96 -0.08 -1.14 -2.93 116.55 108.28 1vit n ASP 100 Ca -0.18 0.59 -0.33 0.00 -1.51 0.00 0.00 54.79 53.35 1vit n ASP 100 Cb 0.66 -1.29 -0.01 0.00 2.34 0.00 0.00 41.12 42.82 1vit n ASP 100 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1vit n ARG 101 N -1.29 -3.82 -0.52 -0.67 3.00 -1.26 -1.81 116.66 110.28 1vit n ARG 101 Ca 0.11 0.44 -0.05 0.00 -0.01 0.00 0.00 57.85 58.33 1vit n ARG 101 Cb 0.50 -5.14 -0.08 0.00 0.00 0.00 0.00 32.46 27.74 1vit n ARG 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1vit n ASP 102 N -2.74 3.14 -4.56 0.55 2.03 -1.15 -4.72 116.55 109.10 1vit n ASP 102 Ca 0.02 -2.03 -0.23 0.00 0.52 0.00 0.00 54.79 53.07 1vit n ASP 102 Cb 0.52 -0.81 -0.09 0.00 -0.72 0.00 0.00 41.12 40.03 1vit n ASP 102 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1vit s ILE 103 N 1.56 2.98 -0.28 5.18 -4.36 -1.26 -2.13 121.20 122.89 1vit s ILE 103 Ca 0.30 -2.15 -0.18 0.00 -0.26 0.00 0.00 60.65 58.36 1vit s ILE 103 Cb 0.14 -2.59 0.10 0.00 1.25 0.00 0.00 42.46 41.37 1vit s ILE 103 CO 0.00 -0.38 0.81 0.00 0.24 0.00 0.00 174.94 175.61 1vit s ALA 104 N -2.42 -1.99 0.10 2.27 0.00 1.00 -3.67 121.76 117.04 1vit s ALA 104 Ca 0.31 2.25 0.02 0.00 0.00 0.00 0.00 51.96 54.54 1vit s ALA 104 Cb -0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1vit s ALA 104 CO 0.18 -0.35 0.22 -0.51 0.00 0.00 0.00 175.76 175.30 1vit s LEU 105 N 1.24 4.25 -0.11 0.00 1.43 -0.90 0.13 118.68 124.72 1vit s LEU 105 Ca -0.07 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1vit s LEU 105 Cb -0.05 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.36 1vit s LEU 105 CO -0.14 0.12 0.02 -0.76 0.23 0.00 0.00 176.35 175.81 1vit s LEU 106 N -2.82 0.71 0.35 1.79 1.43 0.09 -1.16 118.68 119.07 1vit s LEU 106 Ca 0.34 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.89 1vit s LEU 106 Cb -0.12 -0.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.54 1vit s LEU 106 CO 0.27 -0.23 1.00 -0.75 0.23 0.00 0.00 176.35 176.87 1vit s LYS 107 N 1.96 4.42 -0.04 1.70 2.47 -0.85 -1.28 119.74 128.12 1vit s LYS 107 Ca 0.03 1.45 -0.15 0.00 -1.56 0.00 0.00 55.97 55.75 1vit s LYS 107 Cb -0.14 -2.73 -0.05 0.00 -1.46 0.00 0.00 37.83 33.45 1vit s LYS 107 CO -0.06 0.10 0.40 -0.51 0.16 0.00 0.00 175.35 175.43 1vit s LEU 108 N -2.24 4.42 0.37 5.43 1.43 0.11 -1.80 118.68 126.39 1vit s LEU 108 Ca 0.53 0.88 0.13 0.00 -1.03 0.00 0.00 54.13 54.64 1vit s LEU 108 Cb -0.21 -2.56 0.71 0.00 0.03 0.00 0.00 46.19 44.16 1vit s LEU 108 CO 0.27 0.26 1.82 0.50 0.23 0.00 0.00 176.35 179.43 1vit h LYS 109 N 5.17 0.00 -4.22 1.70 3.64 -1.35 -3.43 116.57 118.09 1vit h LYS 109 Ca -0.49 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.42 1vit h LYS 109 Cb 1.21 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.69 1vit h LYS 109 CO 0.64 0.38 -0.79 1.03 -2.27 0.00 0.00 179.45 178.44 1vit s ARG 110 N -4.17 1.21 -0.02 1.90 1.81 -1.26 -5.03 118.95 113.40 1vit s ARG 110 Ca -0.03 -0.22 -0.30 0.00 -1.72 0.00 0.00 55.73 53.46 1vit s ARG 110 Cb 0.14 -1.14 -0.06 0.00 -0.45 0.00 0.00 34.95 33.44 1vit s ARG 110 CO 0.73 -0.08 1.59 -2.14 -0.68 0.00 0.00 175.30 174.72 1vit s PRO 111 N 0.98 4.21 0.76 3.54 0.02 -1.26 -4.90 135.00 138.35 1vit s PRO 111 Ca -0.09 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 62.97 1vit s PRO 111 Cb -0.15 -3.80 0.05 0.00 0.02 0.00 0.00 34.50 30.62 1vit s PRO 111 CO 0.00 -0.76 1.11 0.96 -0.33 0.00 0.00 177.00 177.98 1vit s ILE 112 N 3.36 3.03 -0.90 2.83 -5.25 -1.12 -4.98 121.20 118.18 1vit s ILE 112 Ca 0.71 0.38 -0.19 0.00 -0.99 0.00 0.00 60.65 60.56 1vit s ILE 112 Cb -0.34 -2.82 0.12 0.00 2.95 0.00 0.00 42.46 42.38 1vit s ILE 112 CO 0.29 -0.39 1.11 -0.70 -1.79 0.00 0.00 174.94 173.46 1vit s GLU 113 N -4.58 3.54 -0.29 0.37 2.56 -1.26 -4.99 118.70 114.06 1vit s GLU 113 Ca 0.65 -1.66 -0.35 0.00 0.00 0.00 0.00 54.97 53.60 1vit s GLU 113 Cb -0.20 -4.85 -0.12 0.00 2.00 0.00 0.00 34.13 30.96 1vit s GLU 113 CO 0.52 -1.78 2.08 1.28 -0.56 0.00 0.00 175.26 176.79 1vit n LEU 114 N 6.68 2.44 0.00 2.70 4.32 -1.26 -4.92 117.00 126.96 1vit n LEU 114 Ca 0.21 0.59 -0.07 0.00 -0.02 0.00 0.00 56.01 56.72 1vit n LEU 114 Cb 0.49 -1.28 -0.00 0.00 -1.62 0.00 0.00 43.42 41.01 1vit n LEU 114 CO 0.52 -0.57 0.01 -1.54 -1.22 0.00 0.00 177.39 174.58 1vit n SER 115 N 8.77 1.58 0.00 -1.43 3.41 -1.07 -4.92 113.62 119.97 1vit n SER 115 Ca 0.36 -1.50 0.03 0.00 -0.26 0.00 0.00 58.87 57.50 1vit n SER 115 Cb 0.24 0.01 0.20 0.00 -0.26 0.00 0.00 64.21 64.39 1vit n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vit n ASP 116 N -1.83 0.00 0.00 4.04 9.92 -1.26 -2.09 116.55 125.33 1vit n ASP 116 Ca -0.01 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 1vit n ASP 116 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1vit n ASP 116 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1vit n TYR 117 N -0.68 0.00 -3.74 1.24 4.02 -1.26 -4.88 117.16 111.86 1vit n TYR 117 Ca 0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.59 1vit n TYR 117 Cb 0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.25 1vit n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vit s ILE 118 N -0.95 3.63 -0.01 -0.72 1.01 -0.89 -4.27 121.20 119.01 1vit s ILE 118 Ca 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 60.65 57.40 1vit s ILE 118 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1vit s ILE 118 CO 0.00 -0.91 -0.06 -2.28 0.00 0.00 0.00 174.94 171.69 1vit s HIS 119 N -0.42 0.59 0.90 3.97 2.46 -0.99 -2.59 115.29 119.21 1vit s HIS 119 Ca 0.19 -0.12 -0.12 0.00 0.47 0.00 0.00 55.06 55.48 1vit s HIS 119 Cb -0.18 -0.43 0.13 0.00 -0.13 0.00 0.00 32.58 31.97 1vit s HIS 119 CO -0.05 -0.05 1.10 -1.25 -2.47 0.00 0.00 174.74 172.01 1vit s PRO 120 N 0.14 1.27 0.33 2.88 0.04 -1.26 -1.37 135.00 137.03 1vit s PRO 120 Ca -0.01 0.65 0.08 0.00 0.04 0.00 0.00 61.00 61.76 1vit s PRO 120 Cb -0.06 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1vit s PRO 120 CO -0.00 -2.19 0.17 0.54 0.04 0.00 0.00 177.00 175.56 1vit s VAL 121 N -3.03 3.25 0.64 -0.36 0.11 -1.11 -4.80 120.40 115.09 1vit s VAL 121 Ca 0.63 -1.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1vit s VAL 121 Cb -0.17 -3.04 0.08 0.00 -1.53 0.00 0.00 36.38 31.72 1vit s VAL 121 CO 0.56 -0.20 0.89 0.00 -3.33 0.00 0.00 175.10 173.02 1vit s LEU 123 N -4.96 2.90 0.25 0.00 1.43 -1.26 -5.08 118.68 111.96 1vit s LEU 123 Ca 0.62 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1vit s LEU 123 Cb -0.08 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 1vit s LEU 123 CO 0.41 0.13 1.20 -2.16 0.23 0.00 0.00 176.35 176.16 1vit s PRO 124 N -2.62 4.50 0.00 1.29 0.04 -1.26 -5.05 135.00 131.90 1vit s PRO 124 Ca 0.23 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1vit s PRO 124 Cb -0.09 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1vit s PRO 124 CO 0.14 -0.03 0.00 -0.25 0.04 0.00 0.00 177.00 176.90 1vit n ASP 125 N 1.74 -0.28 -1.34 6.66 9.92 -1.26 -4.94 116.55 127.05 1vit n ASP 125 Ca 0.02 -0.49 -0.08 0.00 -0.53 0.00 0.00 54.79 53.71 1vit n ASP 125 Cb 0.44 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 41.11 1vit n ASP 125 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1vit n LYS 126 N -0.76 1.92 0.00 -1.24 4.81 -1.26 -4.03 118.16 117.60 1vit n LYS 126 Ca 0.00 -3.20 0.00 0.00 -0.87 0.00 0.00 58.31 54.24 1vit n LYS 126 Cb 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1vit n LYS 126 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1vit n GLN 127 N -1.12 0.00 -0.48 1.64 -0.06 -1.26 -4.84 117.38 111.26 1vit n GLN 127 Ca 0.37 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.37 1vit n GLN 127 Cb 1.11 -0.47 -0.00 0.00 -4.06 0.00 0.00 30.24 26.82 1vit n GLN 127 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1vit n THR 128 N -1.30 1.90 0.00 1.69 -1.04 -1.26 -2.34 114.28 111.94 1vit n THR 128 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1vit n THR 128 Cb 0.00 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 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 1.53 0.00 -0.09 2.41 0.00 -1.26 -0.87 120.51 122.23 1vit n ALA 129 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1vit n ALA 129 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 1vit n ALA 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vit n LYS 129 N -0.18 1.07 -0.04 0.00 4.76 -0.99 -4.62 118.16 118.17 1vit n LYS 129 Ca 0.00 -0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1vit n LYS 129 Cb 0.00 -1.46 -0.14 0.00 -1.84 0.00 0.00 35.03 31.60 1vit n LYS 129 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1vit n LEU 129 N -2.68 2.08 -4.56 -0.35 4.32 -0.04 -4.68 117.00 111.08 1vit n LEU 129 Ca -0.30 0.17 -0.42 0.00 -0.02 0.00 0.00 56.01 55.45 1vit n LEU 129 Cb 1.07 -0.65 -0.02 0.00 -1.62 0.00 0.00 43.42 42.20 1vit n LEU 129 CO 0.37 0.74 1.56 -0.76 -1.22 0.00 0.00 177.39 178.08 1vit s LEU 130 N -6.59 3.71 -0.02 2.23 1.43 -1.26 -4.84 118.68 113.34 1vit s LEU 130 Ca -0.20 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.15 1vit s LEU 130 Cb 0.07 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.75 1vit s LEU 130 CO 0.75 -1.39 -0.00 -1.00 0.23 0.00 0.00 176.35 174.95 1vit s HIS 131 N 4.58 0.25 0.19 0.29 3.76 -1.26 -4.78 115.29 118.32 1vit s HIS 131 Ca 0.47 0.01 -0.32 0.00 -0.15 0.00 0.00 55.06 55.07 1vit s HIS 131 Cb 0.01 -0.31 -0.16 0.00 1.11 0.00 0.00 32.58 33.23 1vit s HIS 131 CO -0.06 -0.09 1.07 0.00 -0.85 0.00 0.00 174.74 174.81 1vit n ALA 132 N 3.82 -1.00 0.00 -1.40 0.00 -1.26 -0.86 120.51 119.81 1vit n ALA 132 Ca -0.23 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1vit n ALA 132 Cb 0.53 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 1.84 2.94 3.71 0.00 0.00 -1.26 -5.02 105.19 107.40 1vit n GLY 133 Ca 0.14 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.55 3.15 0.63 1.61 0.08 -0.04 -4.99 117.98 115.86 1vit s PHE 134 Ca 0.00 0.85 -0.11 0.00 0.12 0.00 0.00 56.93 57.79 1vit s PHE 134 Cb 0.00 -3.74 -0.03 0.00 -0.57 0.00 0.00 43.02 38.68 1vit s PHE 134 CO 0.00 -2.65 1.03 0.15 -0.10 0.00 0.00 175.22 173.64 1vit s LYS 135 N 1.26 3.49 0.40 0.44 1.02 -1.26 -4.90 119.74 120.19 1vit s LYS 135 Ca 0.66 0.68 0.04 0.00 0.02 0.00 0.00 55.97 57.37 1vit s LYS 135 Cb -0.38 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1vit s LYS 135 CO 0.30 -0.62 0.13 0.20 -0.92 0.00 0.00 175.35 174.44 1vit s GLY 136 N -4.20 2.57 -0.11 -3.33 0.00 -1.26 -5.13 107.32 95.86 1vit s GLY 136 Ca 0.55 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1vit s GLY 136 CO 0.53 -1.82 -0.13 -1.60 0.00 0.00 0.00 173.10 170.07 1vit s ARG 137 N -3.72 2.03 -0.11 2.90 3.52 -1.26 -5.11 118.95 117.20 1vit s ARG 137 Ca 0.25 -0.49 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 1vit s ARG 137 Cb 0.03 -1.78 -0.02 0.00 -1.56 0.00 0.00 34.95 31.62 1vit s ARG 137 CO 0.15 -0.09 -0.15 0.08 -0.81 0.00 0.00 175.30 174.47 1vit s VAL 138 N 1.09 2.88 0.06 7.11 1.01 -1.26 -5.12 120.40 126.18 1vit s VAL 138 Ca -0.05 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1vit s VAL 138 Cb -0.14 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1vit s VAL 138 CO -0.03 0.54 -0.16 0.42 0.00 0.00 0.00 175.10 175.87 1vit s THR 139 N 0.11 1.31 0.00 3.92 -4.23 -1.26 -5.10 115.64 110.39 1vit s THR 139 Ca -0.07 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1vit s THR 139 Cb -0.15 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.49 1vit s THR 139 CO 0.05 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1vit n GLY 140 N 1.57 3.01 3.65 3.99 0.00 -1.26 -5.04 105.19 111.12 1vit n GLY 140 Ca -0.19 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1vit n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vit s TRP 141 N -1.73 3.34 0.00 1.61 0.51 -1.26 -4.05 118.94 117.35 1vit s TRP 141 Ca 0.00 0.72 0.00 0.00 -2.12 0.00 0.00 56.10 54.70 1vit s TRP 141 Cb 0.00 -2.67 0.00 0.00 -0.81 0.00 0.00 33.47 29.99 1vit s TRP 141 CO 0.00 -0.15 0.00 0.41 -0.51 0.00 0.00 176.95 176.70 1vit n GLY 142 N 4.05 2.44 0.00 0.98 0.00 -1.26 -4.86 105.19 106.53 1vit n GLY 142 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1vit n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vit n ASN 143 N 0.00 0.00 0.02 1.61 4.13 -1.26 0.25 115.26 120.01 1vit n ASN 143 Ca 0.00 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.37 1vit n ASN 143 Cb 0.00 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.35 1vit n ASN 143 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1vit n ARG 144 N 0.00 0.13 -1.36 3.52 1.74 -1.26 -1.78 116.66 117.65 1vit n ARG 144 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1vit n ARG 144 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1vit n ARG 144 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1vit n ARG 145 N -1.72 0.00 -0.02 5.56 1.85 -1.26 -4.48 116.66 116.59 1vit n ARG 145 Ca 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.82 1vit n ARG 145 Cb 0.38 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.74 1vit n ARG 145 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1vit h GLU 146 N 0.00 -0.09 0.00 2.89 4.39 -2.03 -3.50 114.58 116.24 1vit h GLU 146 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1vit h GLU 146 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1vit h GLU 146 CO 0.00 0.27 0.00 2.41 -1.16 0.00 0.00 179.01 180.53 1vit n THR 147 N -4.79 0.00 -1.52 1.13 -1.04 -1.26 -5.17 114.28 101.62 1vit n THR 147 Ca -0.05 0.00 -0.59 0.00 -2.04 0.00 0.00 64.05 61.38 1vit n THR 147 Cb 0.19 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.63 1vit n THR 147 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1vit n TRP 148 N 0.00 0.80 -0.98 -1.42 -0.00 -1.26 -5.30 117.44 109.27 1vit n TRP 148 Ca 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 57.50 58.52 1vit n TRP 148 Cb 0.00 -2.12 0.00 0.00 -0.00 0.00 0.00 31.31 29.19 1vit n TRP 148 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32