#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oni s SER 3 N 0.00 6.96 0.07 -3.46 1.04 -1.26 -5.07 113.70 111.98 1oni s SER 3 Ca 0.00 1.15 -0.00 0.00 0.48 0.00 0.00 55.95 57.57 1oni s SER 3 Cb 0.00 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 1oni s SER 3 CO 0.00 0.15 0.23 -0.76 0.98 0.00 0.00 173.24 173.84 1oni s LEU 4 N -0.40 4.35 -0.17 2.42 1.43 -1.26 -5.07 118.68 119.99 1oni s LEU 4 Ca 0.30 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.41 1oni s LEU 4 Cb -0.18 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1oni s LEU 4 CO 0.17 0.16 1.49 -0.63 0.23 0.00 0.00 176.35 177.77 1oni s ILE 5 N -1.53 3.88 -0.15 -0.59 1.01 -1.26 -4.92 121.20 117.64 1oni s ILE 5 Ca 0.36 1.03 -0.01 0.00 0.00 0.00 0.00 60.65 62.03 1oni s ILE 5 Cb -0.13 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1oni s ILE 5 CO 0.28 -0.20 -0.05 -0.60 0.00 0.00 0.00 174.94 174.36 1oni s ARG 6 N 4.11 1.41 0.00 2.79 3.00 -1.25 -0.13 118.95 128.88 1oni s ARG 6 Ca 0.66 -0.44 0.01 0.00 -1.00 0.00 0.00 55.73 54.96 1oni s ARG 6 Cb -0.25 -1.89 -0.01 0.00 0.00 0.00 0.00 34.95 32.80 1oni s ARG 6 CO 0.24 -0.40 -0.03 1.03 0.00 0.00 0.00 175.30 176.14 1oni s ARG 7 N 1.67 0.27 0.11 5.12 0.52 0.53 -4.99 118.95 122.18 1oni s ARG 7 Ca 0.02 -0.21 -0.25 0.00 -0.52 0.00 0.00 55.73 54.77 1oni s ARG 7 Cb -0.15 -0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.04 1oni s ARG 7 CO -0.08 0.05 0.77 0.08 0.02 0.00 0.00 175.30 176.15 1oni s VAL 8 N -0.30 4.53 -0.16 3.52 1.01 -1.26 -0.26 120.40 127.48 1oni s VAL 8 Ca -0.01 1.67 -0.10 0.00 0.00 0.00 0.00 61.98 63.53 1oni s VAL 8 Cb -0.03 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1oni s VAL 8 CO -0.00 0.45 0.18 -0.63 0.00 0.00 0.00 175.10 175.11 1oni s ILE 9 N -0.67 5.39 -0.18 2.22 -1.09 0.06 -4.92 121.20 122.02 1oni s ILE 9 Ca 0.37 0.31 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1oni s ILE 9 Cb -0.22 -3.50 0.09 0.00 -1.58 0.00 0.00 42.46 37.24 1oni s ILE 9 CO 0.25 0.47 0.25 -0.55 -1.23 0.00 0.00 174.94 174.13 1oni s SER 10 N 0.02 0.91 -0.03 3.58 0.15 -1.26 -3.62 113.70 113.45 1oni s SER 10 Ca 0.12 0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.92 1oni s SER 10 Cb -0.12 0.55 -0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1oni s SER 10 CO 0.01 -0.29 -0.15 0.28 1.20 0.00 0.00 173.24 174.30 1oni s THR 11 N 2.38 1.19 -1.17 6.45 -1.32 -1.26 -5.01 115.64 116.90 1oni s THR 11 Ca 0.06 -0.61 0.20 0.00 -1.21 0.00 0.00 61.69 60.13 1oni s THR 11 Cb -0.14 -1.02 0.25 0.00 -1.51 0.00 0.00 72.50 70.07 1oni s THR 11 CO -0.11 0.35 1.65 0.00 -2.21 0.00 0.00 174.62 174.30 1oni n ALA 12 N 3.01 1.99 1.02 11.08 0.00 -1.26 -2.33 120.51 134.02 1oni n ALA 12 Ca -0.17 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.31 1oni n ALA 12 Cb 0.54 -1.33 0.58 0.00 0.00 0.00 0.00 19.45 19.24 1oni n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oni n LYS 13 N -1.41 0.18 -4.37 0.00 5.02 -1.26 -4.69 118.16 111.63 1oni n LYS 13 Ca 0.07 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.22 1oni n LYS 13 Cb 0.21 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 1oni n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oni s ALA 14 N -2.79 2.17 0.54 7.82 0.00 -0.98 -4.79 121.76 123.72 1oni s ALA 14 Ca 0.18 -1.68 -0.21 0.00 0.00 0.00 0.00 51.96 50.25 1oni s ALA 14 Cb 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1oni s ALA 14 CO 0.42 0.14 1.28 -2.14 0.00 0.00 0.00 175.76 175.46 1oni s PRO 15 N -3.47 3.24 0.71 0.00 0.02 -1.26 -4.83 135.00 129.41 1oni s PRO 15 Ca 0.23 2.05 -0.13 0.00 0.02 0.00 0.00 61.00 63.16 1oni s PRO 15 Cb -0.02 -2.23 0.03 0.00 0.02 0.00 0.00 34.50 32.30 1oni s PRO 15 CO 0.08 -1.05 1.12 0.20 -0.33 0.00 0.00 177.00 177.02 1oni s GLY 16 N -1.17 2.02 0.25 0.52 0.00 -1.26 -4.95 107.32 102.72 1oni s GLY 16 Ca 0.71 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 45.63 1oni s GLY 16 CO 0.42 0.87 1.53 0.00 0.00 0.00 0.00 173.10 175.91 1oni s ALA 17 N -2.48 3.71 -2.63 3.20 0.00 -1.26 -4.87 121.76 117.42 1oni s ALA 17 Ca 0.66 1.44 0.25 0.00 0.00 0.00 0.00 51.96 54.30 1oni s ALA 17 Cb -0.21 -3.61 0.60 0.00 0.00 0.00 0.00 23.12 19.90 1oni s ALA 17 CO 0.47 -0.84 1.49 0.44 0.00 0.00 0.00 175.76 177.31 1oni n ILE 18 N 2.60 0.12 -3.92 0.00 -5.35 -1.26 -4.94 119.36 106.61 1oni n ILE 18 Ca 0.09 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 1oni n ILE 18 Cb 0.39 0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 39.17 1oni n ILE 18 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oni n GLY 19 N 1.28 2.53 3.18 3.28 0.00 -1.26 -5.06 105.19 109.15 1oni n GLY 19 Ca 0.17 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1oni n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oni n PRO 20 N -0.39 2.87 -3.93 1.61 -0.04 -1.26 -4.85 135.00 129.02 1oni n PRO 20 Ca 0.01 -2.86 -0.09 0.00 -0.04 0.00 0.00 63.50 60.51 1oni n PRO 20 Cb 0.39 -3.39 -0.07 0.00 -0.04 0.00 0.00 33.50 30.39 1oni n PRO 20 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1oni s TYR 21 N 4.18 0.32 0.15 0.54 1.13 -1.26 -5.17 117.35 117.25 1oni s TYR 21 Ca 0.52 -0.69 0.05 0.00 -1.41 0.00 0.00 57.07 55.54 1oni s TYR 21 Cb 0.09 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1oni s TYR 21 CO 0.01 -0.73 0.11 -1.12 -2.51 0.00 0.00 175.55 171.31 1oni s SER 22 N -2.95 5.39 0.26 -0.18 0.01 -1.26 -4.79 113.70 110.18 1oni s SER 22 Ca 0.15 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 1oni s SER 22 Cb 0.03 -1.37 0.38 0.00 0.21 0.00 0.00 66.02 65.27 1oni s SER 22 CO -0.01 0.09 1.86 1.56 0.41 0.00 0.00 173.24 177.15 1oni h GLN 23 N 2.57 1.04 -2.32 12.44 4.20 -1.95 -3.41 115.11 127.69 1oni h GLN 23 Ca -0.47 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.24 1oni h GLN 23 Cb 1.20 -0.23 -0.16 0.00 0.30 0.00 0.00 27.48 28.58 1oni h GLN 23 CO 0.63 0.69 0.42 0.00 -0.67 0.00 0.00 178.83 179.89 1oni s ALA 24 N -6.04 -1.79 -0.10 3.87 0.00 -1.24 -1.21 121.76 115.26 1oni s ALA 24 Ca -0.12 1.00 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1oni s ALA 24 Cb 0.19 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1oni s ALA 24 CO 0.80 -0.63 -0.12 0.08 0.00 0.00 0.00 175.76 175.90 1oni s VAL 25 N -2.84 1.22 -0.23 0.00 1.01 -0.62 -0.76 120.40 118.20 1oni s VAL 25 Ca 0.02 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1oni s VAL 25 Cb -0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1oni s VAL 25 CO -0.07 0.39 0.30 -0.22 0.00 0.00 0.00 175.10 175.50 1oni s LEU 26 N 1.14 4.12 -0.06 3.92 2.96 0.64 -1.05 118.68 130.35 1oni s LEU 26 Ca -0.05 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1oni s LEU 26 Cb -0.14 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.24 1oni s LEU 26 CO -0.03 -0.04 0.05 0.54 -1.32 0.00 0.00 176.35 175.55 1oni s VAL 27 N 1.34 0.03 -1.71 1.68 0.11 0.32 -0.34 120.40 121.83 1oni s VAL 27 Ca 0.14 0.28 -0.13 0.00 -2.93 0.00 0.00 61.98 59.33 1oni s VAL 27 Cb -0.14 -0.31 0.13 0.00 -1.53 0.00 0.00 36.38 34.53 1oni s VAL 27 CO 0.07 0.15 0.42 -0.67 -3.33 0.00 0.00 175.10 171.74 1oni n ASP 28 N 5.25 -1.02 0.00 3.54 2.03 0.82 -0.58 116.55 126.59 1oni n ASP 28 Ca -0.05 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.06 1oni n ASP 28 Cb 0.50 -1.91 0.00 0.00 -0.72 0.00 0.00 41.12 38.99 1oni n ASP 28 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1oni n ARG 29 N -4.31 0.00 -3.39 -0.67 5.12 -1.26 -5.02 116.66 107.12 1oni n ARG 29 Ca -0.07 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.47 1oni n ARG 29 Cb 0.56 -0.75 -0.06 0.00 -1.16 0.00 0.00 32.46 31.05 1oni n ARG 29 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1oni s THR 30 N -2.22 5.11 -0.23 0.55 2.01 0.26 -1.64 115.64 119.48 1oni s THR 30 Ca 0.00 0.90 -0.04 0.00 0.31 0.00 0.00 61.69 62.87 1oni s THR 30 Cb 0.00 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 1oni s THR 30 CO 0.00 0.43 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.69 1oni s ILE 31 N -0.10 3.28 -0.38 1.82 1.01 0.54 -0.53 121.20 126.85 1oni s ILE 31 Ca 0.25 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 1oni s ILE 31 Cb -0.16 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1oni s ILE 31 CO 0.11 0.37 0.46 -0.31 0.00 0.00 0.00 174.94 175.57 1oni s TYR 32 N 1.45 3.18 -0.17 3.97 2.02 -0.22 -0.93 117.35 126.65 1oni s TYR 32 Ca 0.05 -0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 1oni s TYR 32 Cb -0.15 -2.87 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 1oni s TYR 32 CO -0.03 -0.58 0.08 0.42 -1.57 0.00 0.00 175.55 173.86 1oni s ILE 33 N 2.24 4.96 0.84 2.71 1.01 -0.17 -1.58 121.20 131.21 1oni s ILE 33 Ca 0.15 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.70 1oni s ILE 33 Cb -0.16 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.19 1oni s ILE 33 CO 0.13 0.49 1.17 -0.44 0.00 0.00 0.00 174.94 176.30 1oni s SER 34 N 0.06 3.45 0.12 3.58 0.01 -0.35 -3.16 113.70 117.41 1oni s SER 34 Ca 0.07 2.25 -0.31 0.00 1.31 0.00 0.00 55.95 59.27 1oni s SER 34 Cb -0.12 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 1oni s SER 34 CO 0.00 -2.75 1.75 -0.83 0.41 0.00 0.00 173.24 171.82 1oni s GLY 35 N -2.45 1.41 -0.11 3.44 0.00 -1.26 -4.57 107.32 103.79 1oni s GLY 35 Ca 0.70 1.38 -0.08 0.00 0.00 0.00 0.00 44.72 46.72 1oni s GLY 35 CO 0.53 3.01 0.17 1.20 0.00 0.00 0.00 173.10 178.01 1oni s GLN 36 N 2.46 3.49 0.44 2.90 -1.52 0.64 -4.79 119.66 123.27 1oni s GLN 36 Ca 0.77 -0.08 0.05 0.00 -1.95 0.00 0.00 55.36 54.15 1oni s GLN 36 Cb -0.44 -3.19 -0.06 0.00 -0.22 0.00 0.00 33.01 29.10 1oni s GLN 36 CO 0.34 0.77 0.01 0.96 -0.25 0.00 0.00 175.29 177.13 1oni s ILE 37 N -1.04 1.66 -0.05 1.08 -4.36 -1.26 -1.35 121.20 115.88 1oni s ILE 37 Ca 0.16 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.53 1oni s ILE 37 Cb -0.12 -2.71 -0.07 0.00 1.25 0.00 0.00 42.46 40.80 1oni s ILE 37 CO 0.05 0.00 2.62 0.61 0.24 0.00 0.00 174.94 178.46 1oni n GLY 38 N -1.04 2.91 3.75 6.27 0.00 -1.25 -4.05 105.19 111.78 1oni n GLY 38 Ca -0.09 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1oni n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1oni s MET 39 N 0.11 4.40 0.08 1.61 0.00 -1.26 -1.40 119.30 122.84 1oni s MET 39 Ca 0.30 0.89 -0.31 0.00 0.00 0.00 0.00 55.69 56.57 1oni s MET 39 Cb 0.15 -3.35 -0.06 0.00 0.00 0.00 0.00 34.83 31.57 1oni s MET 39 CO -0.01 0.33 1.20 0.34 0.00 0.00 0.00 175.02 176.88 1oni s ASP 40 N -0.12 7.07 0.44 1.11 2.15 -0.24 -4.73 116.67 122.36 1oni s ASP 40 Ca 0.34 2.05 0.30 0.00 0.43 0.00 0.00 52.55 55.67 1oni s ASP 40 Cb -0.19 -2.58 1.42 0.00 -0.30 0.00 0.00 42.92 41.27 1oni s ASP 40 CO 0.20 -0.46 1.92 1.55 -0.17 0.00 0.00 175.17 178.20 1oni h PRO 41 N 6.64 0.00 0.02 4.34 0.13 -1.89 -0.69 132.00 140.54 1oni h PRO 41 Ca -0.42 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.35 1oni h PRO 41 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1oni h PRO 41 CO 0.81 0.00 -2.24 -1.13 -0.23 0.00 0.00 178.00 175.21 1oni n SER 42 N -2.67 1.04 0.03 1.44 3.41 -1.26 -4.45 113.62 111.16 1oni n SER 42 Ca -0.00 0.06 -0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1oni n SER 42 Cb 0.18 0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 1oni n SER 42 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1oni n SER 43 N -3.06 0.84 -0.77 4.04 3.41 -1.20 -4.95 113.62 111.94 1oni n SER 43 Ca -0.34 0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 1oni n SER 43 Cb 1.07 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 65.16 1oni n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oni n GLY 44 N 1.40 1.15 3.55 5.00 0.00 -0.27 -5.02 105.19 111.00 1oni n GLY 44 Ca -0.10 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1oni n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oni s GLN 45 N -2.79 1.99 0.42 1.61 -0.21 -1.26 -4.87 119.66 114.55 1oni s GLN 45 Ca 0.00 -1.33 -0.25 0.00 0.02 0.00 0.00 55.36 53.80 1oni s GLN 45 Cb 0.00 -2.11 -0.08 0.00 1.00 0.00 0.00 33.01 31.82 1oni s GLN 45 CO 0.00 0.42 1.26 -0.51 -2.12 0.00 0.00 175.29 174.35 1oni s LEU 46 N -2.88 4.17 0.64 2.90 1.43 -1.26 -1.07 118.68 122.60 1oni s LEU 46 Ca 0.25 2.56 -0.14 0.00 -1.03 0.00 0.00 54.13 55.77 1oni s LEU 46 Cb -0.08 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 1oni s LEU 46 CO 0.15 -0.86 1.08 0.68 0.23 0.00 0.00 176.35 177.63 1oni s VAL 47 N -1.32 3.58 0.62 -1.59 -7.23 -0.49 -4.85 120.40 109.12 1oni s VAL 47 Ca 0.58 0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 61.40 1oni s VAL 47 Cb -0.36 -3.24 0.03 0.00 0.56 0.00 0.00 36.38 33.38 1oni s VAL 47 CO 0.45 -0.49 0.91 -0.94 -0.31 0.00 0.00 175.10 174.72 1oni s SER 48 N -2.86 5.25 0.00 4.85 1.04 -1.26 -4.67 113.70 116.05 1oni s SER 48 Ca 0.64 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1oni s SER 48 Cb -0.18 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1oni s SER 48 CO 0.42 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1oni n GLY 49 N -2.64 0.87 0.00 7.32 0.00 -1.26 -4.80 105.19 104.68 1oni n GLY 49 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1oni n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oni n GLY 50 N -0.75 -2.48 0.29 -0.02 0.00 -1.26 -4.34 105.19 96.62 1oni n GLY 50 Ca 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1oni n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1oni h VAL 51 N 0.00 1.20 0.00 1.61 3.04 -1.96 -0.96 116.25 119.17 1oni h VAL 51 Ca 0.00 -0.72 -0.10 0.00 -1.01 0.00 0.00 66.70 64.86 1oni h VAL 51 Cb 0.00 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 1oni h VAL 51 CO 0.00 0.26 -0.49 0.00 -1.01 0.00 0.00 177.57 176.33 1oni h ALA 52 N 1.48 1.00 -0.33 3.17 0.00 -1.93 0.16 119.26 122.81 1oni h ALA 52 Ca 0.14 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1oni h ALA 52 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1oni h ALA 52 CO 0.00 0.62 -0.10 0.93 0.00 0.00 0.00 179.25 180.69 1oni h GLU 53 N 0.00 0.65 -0.52 0.00 4.39 -1.65 -2.54 114.58 114.92 1oni h GLU 53 Ca -0.00 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 1oni h GLU 53 Cb 0.98 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 1oni h GLU 53 CO 0.06 0.84 0.06 0.93 -1.16 0.00 0.00 179.01 179.75 1oni h GLU 54 N 0.43 0.87 -0.42 2.33 5.08 -0.96 -1.57 114.58 120.35 1oni h GLU 54 Ca 0.08 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1oni h GLU 54 Cb 0.61 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1oni h GLU 54 CO 0.04 0.87 0.27 0.00 -1.00 0.00 0.00 179.01 179.19 1oni h ALA 55 N 0.97 0.53 -0.33 3.43 0.00 -0.71 0.34 119.26 123.49 1oni h ALA 55 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1oni h ALA 55 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1oni h ALA 55 CO 0.01 -0.03 0.20 0.87 0.00 0.00 0.00 179.25 180.30 1oni h LYS 56 N 0.55 0.39 -0.50 0.00 1.57 -1.33 -0.49 116.57 116.76 1oni h LYS 56 Ca 0.16 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1oni h LYS 56 Cb -0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1oni h LYS 56 CO -0.04 0.26 -0.09 0.37 -0.57 0.00 0.00 179.45 179.37 1oni h GLN 57 N 0.40 0.92 -0.73 3.15 5.75 -0.75 -0.43 115.11 123.42 1oni h GLN 57 Ca 0.13 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.26 1oni h GLN 57 Cb -0.00 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1oni h GLN 57 CO -0.06 0.97 0.24 0.00 -2.65 0.00 0.00 178.83 177.33 1oni h ALA 58 N 1.06 1.03 -0.22 3.38 0.00 0.02 0.01 119.26 124.53 1oni h ALA 58 Ca 0.14 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1oni h ALA 58 Cb 0.62 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1oni h ALA 58 CO 0.04 0.65 -0.56 -0.07 0.00 0.00 0.00 179.25 179.31 1oni h LEU 59 N 1.09 0.76 -0.61 0.00 3.38 -0.83 -1.16 115.31 117.93 1oni h LEU 59 Ca 0.24 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1oni h LEU 59 Cb 0.29 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1oni h LEU 59 CO -0.01 1.17 0.38 0.11 0.09 0.00 0.00 178.44 180.18 1oni h LYS 60 N 0.52 0.73 -0.31 1.13 1.57 -0.65 0.22 116.57 119.78 1oni h LYS 60 Ca 0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1oni h LYS 60 Cb 1.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1oni h LYS 60 CO 0.11 0.48 0.19 -0.91 -0.57 0.00 0.00 179.45 178.75 1oni h ASN 61 N 0.75 0.31 -0.97 0.86 2.35 -0.84 -1.07 115.58 116.97 1oni h ASN 61 Ca 0.24 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1oni h ASN 61 Cb 0.01 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 1oni h ASN 61 CO -0.10 0.23 0.64 -0.03 -1.65 0.00 0.00 177.43 176.52 1oni h MET 62 N 0.39 1.22 -0.57 0.81 4.05 -0.68 -1.96 114.93 118.18 1oni h MET 62 Ca 0.12 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1oni h MET 62 Cb -0.02 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 30.48 1oni h MET 62 CO -0.05 0.81 0.37 0.78 0.23 0.00 0.00 176.91 179.04 1oni h GLY 63 N 1.25 0.81 1.27 1.39 0.00 -0.04 -0.00 103.07 107.75 1oni h GLY 63 Ca 0.38 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1oni h GLY 63 CO -0.11 0.31 -0.08 0.83 0.00 0.00 0.00 176.54 177.49 1oni h GLU 64 N 0.77 0.86 -0.52 4.80 4.39 -0.76 -1.19 114.58 122.93 1oni h GLU 64 Ca 0.21 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1oni h GLU 64 Cb -0.06 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1oni h GLU 64 CO -0.04 0.91 0.10 0.82 -1.16 0.00 0.00 179.01 179.64 1oni h ILE 65 N 0.78 1.25 -0.55 3.13 2.04 -0.97 -2.34 117.51 120.85 1oni h ILE 65 Ca 0.14 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1oni h ILE 65 Cb 0.58 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1oni h ILE 65 CO 0.04 0.33 0.33 -0.07 0.00 0.00 0.00 178.15 178.78 1oni h LEU 66 N 0.73 0.65 -0.63 1.44 3.38 -0.75 -2.13 115.31 118.00 1oni h LEU 66 Ca 0.16 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1oni h LEU 66 Cb 0.37 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1oni h LEU 66 CO 0.01 0.51 0.29 0.11 0.09 0.00 0.00 178.44 179.45 1oni h LYS 67 N 0.74 0.51 0.00 1.13 1.57 -1.00 0.33 116.57 119.84 1oni h LYS 67 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1oni h LYS 67 Cb -0.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1oni h LYS 67 CO -0.04 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 1oni n ALA 68 N -2.41 1.73 0.58 3.86 0.00 -0.90 -0.65 120.51 122.73 1oni n ALA 68 Ca 0.09 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1oni n ALA 68 Cb 0.23 -1.38 0.25 0.00 0.00 0.00 0.00 19.45 18.55 1oni n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oni n ALA 69 N -1.75 2.45 -1.22 0.00 0.00 -0.16 -4.94 120.51 114.90 1oni n ALA 69 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 53.44 52.59 1oni n ALA 69 Cb 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 1oni n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oni n GLY 70 N 1.40 0.47 3.64 0.00 0.00 0.18 -4.95 105.19 105.92 1oni n GLY 70 Ca 0.18 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1oni n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oni n ASP 72 N -1.21 -0.41 0.30 0.00 5.68 -1.26 -2.69 116.55 116.96 1oni n ASP 72 Ca -0.12 -2.50 0.16 0.00 -0.50 0.00 0.00 54.79 51.83 1oni n ASP 72 Cb 0.66 1.12 0.93 0.00 -1.14 0.00 0.00 41.12 42.69 1oni n ASP 72 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1oni h PHE 73 N 1.72 0.00 0.00 2.11 0.04 -1.94 -1.69 116.94 117.18 1oni h PHE 73 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1oni h PHE 73 Cb 0.82 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1oni h PHE 73 CO 0.00 0.02 0.00 1.79 -0.60 0.00 0.00 178.31 179.52 1oni h THR 74 N 0.00 0.00 0.00 -1.55 1.35 -1.94 -2.40 112.91 108.37 1oni h THR 74 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1oni h THR 74 Cb 0.08 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1oni h THR 74 CO 0.00 0.00 -0.14 0.59 -0.25 0.00 0.00 175.52 175.72 1oni n ASN 75 N -3.00 0.56 -4.71 5.36 3.02 -0.63 -4.87 115.26 110.98 1oni n ASN 75 Ca -0.01 0.42 -0.42 0.00 -0.03 0.00 0.00 54.58 54.54 1oni n ASN 75 Cb 0.16 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 1oni n ASN 75 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oni s VAL 76 N -3.08 3.91 -0.11 2.41 1.01 -0.91 -1.06 120.40 122.57 1oni s VAL 76 Ca 0.11 1.38 0.10 0.00 0.00 0.00 0.00 61.98 63.57 1oni s VAL 76 Cb 0.15 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 1oni s VAL 76 CO 0.61 0.11 0.26 1.33 0.00 0.00 0.00 175.10 177.41 1oni n VAL 77 N 3.86 0.00 -3.71 2.92 0.24 -0.14 -4.28 118.33 117.23 1oni n VAL 77 Ca 0.09 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1oni n VAL 77 Cb 0.46 0.44 -0.09 0.00 -1.47 0.00 0.00 33.84 33.17 1oni n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1oni s LYS 78 N -2.51 0.55 0.08 7.34 2.47 -1.10 -0.74 119.74 125.83 1oni s LYS 78 Ca -0.02 0.70 0.03 0.00 -1.56 0.00 0.00 55.97 55.12 1oni s LYS 78 Cb 0.07 0.24 -0.03 0.00 -1.46 0.00 0.00 37.83 36.64 1oni s LYS 78 CO 0.41 -0.08 -0.08 0.95 0.16 0.00 0.00 175.35 176.71 1oni s THR 79 N 0.43 0.74 -0.13 3.43 -4.23 -0.49 -0.43 115.64 114.97 1oni s THR 79 Ca -0.01 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1oni s THR 79 Cb -0.04 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.55 1oni s THR 79 CO -0.01 -0.62 -0.17 -0.89 -0.54 0.00 0.00 174.62 172.39 1oni s THR 80 N -2.56 1.65 -0.38 3.99 2.01 -0.66 -1.85 115.64 117.84 1oni s THR 80 Ca 0.03 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.22 1oni s THR 80 Cb -0.02 -1.50 0.04 0.00 0.01 0.00 0.00 72.50 71.03 1oni s THR 80 CO -0.02 0.47 0.20 -0.69 -0.69 0.00 0.00 174.62 173.89 1oni s VAL 81 N 1.06 4.38 -0.30 3.82 1.01 0.37 -1.77 120.40 128.97 1oni s VAL 81 Ca -0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1oni s VAL 81 Cb -0.15 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1oni s VAL 81 CO -0.04 -0.28 0.19 -0.76 0.00 0.00 0.00 175.10 174.21 1oni s LEU 82 N 1.50 4.14 0.06 3.92 1.43 0.07 -2.54 118.68 127.26 1oni s LEU 82 Ca 0.01 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1oni s LEU 82 Cb -0.20 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1oni s LEU 82 CO 0.05 -0.13 -0.07 -0.76 0.23 0.00 0.00 176.35 175.67 1oni s LEU 83 N 1.72 3.16 0.40 1.79 1.43 -0.57 -1.29 118.68 125.32 1oni s LEU 83 Ca 0.06 -0.25 0.22 0.00 -1.03 0.00 0.00 54.13 53.13 1oni s LEU 83 Cb -0.16 -1.89 0.61 0.00 0.03 0.00 0.00 46.19 44.78 1oni s LEU 83 CO 0.10 0.22 1.69 0.00 0.23 0.00 0.00 176.35 178.59 1oni h ALA 84 N 3.98 0.91 -2.67 4.21 0.00 -1.61 0.27 119.26 124.35 1oni h ALA 84 Ca -0.48 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 53.98 1oni h ALA 84 Cb 1.17 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.59 1oni h ALA 84 CO 0.54 0.33 -0.52 0.34 0.00 0.00 0.00 179.25 179.93 1oni s ASP 85 N -6.24 0.44 0.51 0.00 -1.08 -1.26 -4.76 116.67 104.26 1oni s ASP 85 Ca 0.03 0.47 0.21 0.00 -0.52 0.00 0.00 52.55 52.74 1oni s ASP 85 Cb 0.09 0.76 1.28 0.00 -1.46 0.00 0.00 42.92 43.59 1oni s ASP 85 CO 0.67 -0.26 2.02 -0.29 0.52 0.00 0.00 175.17 177.83 1oni h ILE 86 N 6.27 0.82 0.00 4.11 6.09 -1.93 -0.90 117.51 131.96 1oni h ILE 86 Ca -0.15 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1oni h ILE 86 Cb 1.12 0.71 0.00 0.00 0.47 0.00 0.00 36.82 39.13 1oni h ILE 86 CO 0.17 0.02 0.00 0.59 -3.07 0.00 0.00 178.15 175.86 1oni n ASN 87 N -4.43 0.04 -0.42 2.19 3.02 -1.26 -1.71 115.26 112.69 1oni n ASN 87 Ca 0.07 0.51 0.14 0.00 -0.03 0.00 0.00 54.58 55.28 1oni n ASN 87 Cb 0.46 -0.52 0.56 0.00 -0.61 0.00 0.00 39.78 39.66 1oni n ASN 87 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1oni n ASP 88 N -1.55 1.30 -0.23 6.41 8.00 -0.34 -4.40 116.55 125.72 1oni n ASP 88 Ca 0.02 -1.47 -0.03 0.00 0.71 0.00 0.00 54.79 54.02 1oni n ASP 88 Cb 0.10 -0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.26 1oni n ASP 88 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1oni h PHE 89 N 1.97 0.74 -0.65 1.24 3.57 -1.52 -1.42 116.94 120.88 1oni h PHE 89 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1oni h PHE 89 Cb 0.42 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1oni h PHE 89 CO 0.02 0.40 0.33 -0.91 -2.23 0.00 0.00 178.31 175.92 1oni h ASN 90 N 0.77 0.84 0.00 0.41 2.35 -1.85 0.13 115.58 118.22 1oni h ASN 90 Ca 0.27 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1oni h ASN 90 Cb 0.07 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1oni h ASN 90 CO -0.13 0.72 -0.00 0.74 -1.65 0.00 0.00 177.43 177.11 1oni h THR 91 N 0.90 1.02 -0.91 2.81 2.02 -1.75 -2.36 112.91 114.63 1oni h THR 91 Ca 0.23 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 1oni h THR 91 Cb 0.09 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1oni h THR 91 CO -0.03 0.01 0.55 0.58 0.37 0.00 0.00 175.52 177.00 1oni h VAL 92 N -0.03 1.25 -0.44 3.16 2.07 -0.97 -2.32 116.25 118.98 1oni h VAL 92 Ca -0.00 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1oni h VAL 92 Cb 0.03 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1oni h VAL 92 CO 0.00 0.26 0.13 0.78 0.02 0.00 0.00 177.57 178.77 1oni h ASN 93 N 1.26 0.58 -0.71 0.57 2.35 -0.53 0.90 115.58 120.00 1oni h ASN 93 Ca 0.33 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1oni h ASN 93 Cb -0.05 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1oni h ASN 93 CO -0.06 0.56 0.33 -0.33 -1.65 0.00 0.00 177.43 176.28 1oni h GLU 94 N 0.63 1.03 -0.19 0.81 4.39 -0.89 -1.48 114.58 118.87 1oni h GLU 94 Ca 0.15 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 1oni h GLU 94 Cb 0.19 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1oni h GLU 94 CO -0.01 0.82 -0.37 0.82 -1.16 0.00 0.00 179.01 179.11 1oni h ILE 95 N 0.99 1.33 -0.77 3.13 1.08 -1.15 -3.17 117.51 118.95 1oni h ILE 95 Ca 0.24 -1.60 0.14 0.00 -0.39 0.00 0.00 64.86 63.25 1oni h ILE 95 Cb 0.13 1.88 -0.09 0.00 -3.07 0.00 0.00 36.82 35.67 1oni h ILE 95 CO -0.03 0.49 0.32 0.22 -0.69 0.00 0.00 178.15 178.46 1oni h TYR 96 N 0.26 0.55 0.00 1.37 3.20 -0.66 -0.37 116.97 121.31 1oni h TYR 96 Ca 0.01 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1oni h TYR 96 Cb 0.97 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 1oni h TYR 96 CO 0.09 0.08 -0.03 0.87 -1.64 0.00 0.00 178.16 177.53 1oni h LYS 97 N 0.47 0.00 -0.07 1.82 1.57 -1.25 -1.30 116.57 117.81 1oni h LYS 97 Ca 0.42 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.11 1oni h LYS 97 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1oni h LYS 97 CO -0.40 0.03 -0.38 1.96 -0.57 0.00 0.00 179.45 180.09 1oni h GLN 98 N 0.00 0.14 0.02 3.15 4.20 -1.06 -3.35 115.11 118.22 1oni h GLN 98 Ca -0.00 -0.06 -0.38 0.00 0.06 0.00 0.00 58.65 58.27 1oni h GLN 98 Cb 0.30 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 1oni h GLN 98 CO 0.00 0.51 -2.36 0.66 -0.67 0.00 0.00 178.83 176.97 1oni n TYR 99 N -4.06 0.27 -3.59 2.96 4.02 -0.87 -4.86 117.16 111.03 1oni n TYR 99 Ca -0.02 0.06 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 1oni n TYR 99 Cb 0.44 -1.04 -0.11 0.00 -0.02 0.00 0.00 39.34 38.61 1oni n TYR 99 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1oni s PHE 100 N -2.53 3.21 -0.03 -0.72 0.40 -0.55 -4.82 117.98 112.94 1oni s PHE 100 Ca -0.30 -0.47 0.13 0.00 -0.60 0.00 0.00 56.93 55.70 1oni s PHE 100 Cb 0.08 -2.42 -0.20 0.00 0.51 0.00 0.00 43.02 40.99 1oni s PHE 100 CO 0.66 -0.44 0.26 1.63 0.70 0.00 0.00 175.22 178.03 1oni n LYS 101 N 5.04 0.54 -3.67 0.44 4.01 -1.26 -4.53 118.16 118.72 1oni n LYS 101 Ca -0.13 -0.11 -0.00 0.00 -0.51 0.00 0.00 58.31 57.56 1oni n LYS 101 Cb 0.49 -1.31 -0.01 0.00 -0.51 0.00 0.00 35.03 33.69 1oni n LYS 101 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1oni s SER 102 N -3.59 -0.10 -1.34 4.39 1.04 -1.26 -4.98 113.70 107.85 1oni s SER 102 Ca -0.05 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.05 1oni s SER 102 Cb 0.08 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1oni s SER 102 CO 0.54 -0.53 0.47 0.59 0.98 0.00 0.00 173.24 175.29 1oni n ASN 103 N -0.48 -1.72 -4.76 7.02 5.03 -1.26 -4.81 115.26 114.28 1oni n ASN 103 Ca -0.08 -1.09 -0.37 0.00 0.87 0.00 0.00 54.58 53.91 1oni n ASN 103 Cb 0.62 -2.72 0.02 0.00 -1.02 0.00 0.00 39.78 36.69 1oni n ASN 103 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1oni s PHE 104 N -3.86 2.50 0.68 3.10 0.40 -1.26 -4.99 117.98 114.55 1oni s PHE 104 Ca 0.17 1.48 -0.16 0.00 -0.60 0.00 0.00 56.93 57.82 1oni s PHE 104 Cb -0.07 -3.54 0.01 0.00 0.51 0.00 0.00 43.02 39.92 1oni s PHE 104 CO 0.91 -2.20 1.22 -2.14 0.70 0.00 0.00 175.22 173.71 1oni s PRO 105 N -3.02 2.45 0.76 0.24 0.02 -1.26 -5.00 135.00 129.19 1oni s PRO 105 Ca 0.72 1.81 -0.13 0.00 0.02 0.00 0.00 61.00 63.41 1oni s PRO 105 Cb -0.33 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.39 1oni s PRO 105 CO 0.38 -1.61 1.15 0.00 -0.33 0.00 0.00 177.00 176.59 1oni s ALA 106 N -1.81 2.08 -0.02 -1.55 0.00 0.08 -4.86 121.76 115.69 1oni s ALA 106 Ca 0.76 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 1oni s ALA 106 Cb -0.30 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1oni s ALA 106 CO 0.41 -1.92 0.25 0.50 0.00 0.00 0.00 175.76 175.00 1oni s ARG 107 N -4.32 0.56 0.04 0.00 3.52 -1.26 -1.40 118.95 116.09 1oni s ARG 107 Ca 0.68 -0.18 0.06 0.00 -0.13 0.00 0.00 55.73 56.16 1oni s ARG 107 Cb -0.23 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 1oni s ARG 107 CO 0.49 -0.14 -0.17 0.00 -0.81 0.00 0.00 175.30 174.67 1oni s ALA 108 N -1.15 1.42 -0.06 6.12 0.00 -0.77 -4.99 121.76 122.33 1oni s ALA 108 Ca -0.12 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 1oni s ALA 108 Cb -0.06 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1oni s ALA 108 CO 0.03 0.29 0.23 0.00 0.00 0.00 0.00 175.76 176.31 1oni s ALA 109 N -0.83 -0.57 -0.07 0.00 0.00 -1.26 -0.48 121.76 118.55 1oni s ALA 109 Ca 0.04 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 1oni s ALA 109 Cb -0.08 -0.24 0.12 0.00 0.00 0.00 0.00 23.12 22.91 1oni s ALA 109 CO 0.02 -0.15 1.12 1.52 0.00 0.00 0.00 175.76 178.26 1oni s TYR 110 N -0.34 -0.17 -0.14 0.00 1.13 -1.05 -5.01 117.35 111.78 1oni s TYR 110 Ca -0.04 0.06 -0.16 0.00 -1.41 0.00 0.00 57.07 55.51 1oni s TYR 110 Cb -0.03 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 1oni s TYR 110 CO 0.01 -0.37 0.40 -1.14 -2.51 0.00 0.00 175.55 171.94 1oni s GLN 111 N -2.69 4.30 0.47 -3.49 0.74 -1.26 -1.51 119.66 116.22 1oni s GLN 111 Ca 0.09 0.30 0.08 0.00 0.05 0.00 0.00 55.36 55.88 1oni s GLN 111 Cb 0.00 -3.43 0.01 0.00 1.10 0.00 0.00 33.01 30.69 1oni s GLN 111 CO -0.05 0.19 0.48 0.14 -0.55 0.00 0.00 175.29 175.51 1oni s VAL 112 N 0.55 2.44 0.10 1.34 -7.23 0.08 -4.91 120.40 112.77 1oni s VAL 112 Ca 0.22 -1.26 -0.09 0.00 -1.81 0.00 0.00 61.98 59.04 1oni s VAL 112 Cb -0.14 -2.70 -0.22 0.00 0.56 0.00 0.00 36.38 33.88 1oni s VAL 112 CO 0.08 0.00 1.23 0.00 -0.31 0.00 0.00 175.10 176.10 1oni h ALA 113 N 0.77 0.22 -1.93 1.32 0.00 -1.92 -3.42 119.26 114.30 1oni h ALA 113 Ca -0.38 -0.71 0.02 0.00 0.00 0.00 0.00 54.91 53.83 1oni h ALA 113 Cb 1.28 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.90 1oni h ALA 113 CO 0.53 0.75 0.36 0.00 0.00 0.00 0.00 179.25 180.89 1oni s ALA 114 N -3.25 -1.83 0.31 0.00 0.00 -1.26 -5.04 121.76 110.69 1oni s ALA 114 Ca -0.08 1.33 0.09 0.00 0.00 0.00 0.00 51.96 53.31 1oni s ALA 114 Cb 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1oni s ALA 114 CO 0.90 -0.41 0.01 -0.51 0.00 0.00 0.00 175.76 175.75 1oni s LEU 115 N -1.41 3.06 0.44 0.00 1.43 -1.26 -5.08 118.68 115.85 1oni s LEU 115 Ca -0.05 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 51.94 1oni s LEU 115 Cb -0.00 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 1oni s LEU 115 CO 0.03 -0.15 1.35 -2.65 0.23 0.00 0.00 176.35 175.15 1oni n PRO 116 N -0.94 2.06 -1.88 1.29 -0.02 -1.26 -2.50 135.00 131.76 1oni n PRO 116 Ca -0.05 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1oni n PRO 116 Cb 0.61 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 1oni n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1oni n LYS 117 N -0.10 -1.68 -1.59 -0.52 5.02 -1.26 -2.00 118.16 116.03 1oni n LYS 117 Ca 0.06 0.76 -0.12 0.00 -2.02 0.00 0.00 58.31 57.00 1oni n LYS 117 Cb 0.41 -5.19 -0.04 0.00 -0.02 0.00 0.00 35.03 30.19 1oni n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oni n GLY 118 N -0.53 0.89 3.66 0.72 0.00 -1.04 -4.99 105.19 103.90 1oni n GLY 118 Ca -0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1oni n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oni s SER 119 N -2.76 2.87 0.00 1.61 0.01 -0.85 -4.94 113.70 109.64 1oni s SER 119 Ca 0.00 2.05 0.21 0.00 1.31 0.00 0.00 55.95 59.52 1oni s SER 119 Cb 0.00 -2.52 -0.14 0.00 0.21 0.00 0.00 66.02 63.56 1oni s SER 119 CO 0.00 -3.11 0.95 0.54 0.41 0.00 0.00 173.24 172.03 1oni n ARG 120 N -4.23 0.56 -3.59 12.44 5.12 -1.26 -4.44 116.66 121.25 1oni n ARG 120 Ca 0.10 -0.38 -0.13 0.00 -1.93 0.00 0.00 57.85 55.51 1oni n ARG 120 Cb 0.52 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 30.29 1oni n ARG 120 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1oni s ILE 121 N -2.76 0.00 -0.02 0.55 2.07 -1.26 -1.79 121.20 117.98 1oni s ILE 121 Ca 0.12 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1oni s ILE 121 Cb 0.16 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.78 1oni s ILE 121 CO 0.74 0.00 0.02 -0.70 -1.91 0.00 0.00 174.94 173.10 1oni s GLU 122 N -0.29 0.03 -0.12 3.50 2.12 -0.41 -4.41 118.70 119.12 1oni s GLU 122 Ca -0.02 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.47 1oni s GLU 122 Cb -0.03 -0.29 0.02 0.00 0.26 0.00 0.00 34.13 34.10 1oni s GLU 122 CO 0.02 -0.16 -0.10 0.42 -0.54 0.00 0.00 175.26 174.90 1oni s ILE 123 N 1.02 1.19 0.31 -3.70 1.01 -0.46 -0.75 121.20 119.82 1oni s ILE 123 Ca -0.09 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1oni s ILE 123 Cb -0.13 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1oni s ILE 123 CO -0.03 0.39 0.26 -1.83 0.00 0.00 0.00 174.94 173.74 1oni s GLU 124 N 1.52 2.80 0.15 2.79 -1.05 -0.73 -0.26 118.70 123.92 1oni s GLU 124 Ca 0.02 -1.21 -0.21 0.00 -0.15 0.00 0.00 54.97 53.43 1oni s GLU 124 Cb -0.13 -2.51 0.06 0.00 -0.44 0.00 0.00 34.13 31.10 1oni s GLU 124 CO -0.07 0.20 0.54 0.00 0.95 0.00 0.00 175.26 176.87 1oni s ALA 125 N -2.24 -1.36 -0.07 -0.84 0.00 -1.19 -1.65 121.76 114.41 1oni s ALA 125 Ca 0.38 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1oni s ALA 125 Cb -0.07 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 1oni s ALA 125 CO 0.26 -0.73 -0.20 0.08 0.00 0.00 0.00 175.76 175.17 1oni s VAL 126 N -3.77 1.69 0.22 0.00 1.01 0.43 -1.00 120.40 118.98 1oni s VAL 126 Ca 0.02 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1oni s VAL 126 Cb -0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1oni s VAL 126 CO -0.12 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.40 1oni s ALA 127 N 0.19 1.86 -0.16 5.51 0.00 -0.10 -0.97 121.76 128.10 1oni s ALA 127 Ca -0.10 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1oni s ALA 127 Cb -0.15 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1oni s ALA 127 CO 0.05 -0.13 -0.10 0.42 0.00 0.00 0.00 175.76 176.00 1oni s ILE 128 N -3.25 1.39 0.65 0.00 -1.09 -0.23 -0.34 121.20 118.34 1oni s ILE 128 Ca 0.25 -0.64 -0.18 0.00 -2.23 0.00 0.00 60.65 57.85 1oni s ILE 128 Cb 0.04 -1.40 -0.00 0.00 -1.58 0.00 0.00 42.46 39.51 1oni s ILE 128 CO 0.07 0.31 1.26 -1.58 -1.23 0.00 0.00 174.94 173.77 1oni s GLN 129 N 1.54 2.55 0.61 2.79 0.74 -0.65 -4.77 119.66 122.47 1oni s GLN 129 Ca 0.03 1.94 0.08 0.00 0.05 0.00 0.00 55.36 57.47 1oni s GLN 129 Cb -0.14 -1.86 0.10 0.00 1.10 0.00 0.00 33.01 32.21 1oni s GLN 129 CO -0.09 -1.57 0.84 0.20 -0.55 0.00 0.00 175.29 174.12 1oni s GLY 130 N -1.58 1.72 0.56 2.59 0.00 -1.26 -4.72 107.32 104.62 1oni s GLY 130 Ca 0.80 -2.13 -0.19 0.00 0.00 0.00 0.00 44.72 43.20 1oni s GLY 130 CO 0.39 -1.63 1.12 -4.14 0.00 0.00 0.00 173.10 168.84 1oni s PRO 131 N -4.75 3.30 0.12 2.90 0.02 -1.26 -5.16 135.00 130.17 1oni s PRO 131 Ca 0.63 1.56 0.10 0.00 0.02 0.00 0.00 61.00 63.30 1oni s PRO 131 Cb -0.05 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1oni s PRO 131 CO 0.40 -0.88 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.45 1oni s LEU 132 N -3.94 2.32 -0.06 -5.54 1.43 -1.26 -5.13 118.68 106.49 1oni s LEU 132 Ca 0.71 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1oni s LEU 132 Cb -0.23 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 44.98 1oni s LEU 132 CO 0.29 0.11 -0.02 -0.89 0.23 0.00 0.00 176.35 176.07 1oni s THR 133 N -1.15 0.43 -0.64 5.49 2.01 -1.26 -5.09 115.64 115.42 1oni s THR 133 Ca 0.10 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.91 1oni s THR 133 Cb -0.10 -0.53 0.08 0.00 0.01 0.00 0.00 72.50 71.97 1oni s THR 133 CO 0.05 0.24 0.89 -0.89 -0.69 0.00 0.00 174.62 174.22 1oni s THR 134 N 1.47 4.46 -2.00 -0.82 2.01 -1.26 -5.30 115.64 114.19 1oni s THR 134 Ca -0.03 -0.54 0.20 0.00 0.31 0.00 0.00 61.69 61.63 1oni s THR 134 Cb -0.13 -4.63 0.57 0.00 0.01 0.00 0.00 72.50 68.31 1oni s THR 134 CO -0.03 -1.37 1.58 0.00 -0.69 0.00 0.00 174.62 174.11