#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1win n SER 2 N 0.00 2.38 -0.07 1.61 2.88 -1.26 -4.95 113.62 114.21 1win n SER 2 Ca 0.00 1.04 -0.12 0.00 -1.33 0.00 0.00 58.87 58.46 1win n SER 2 Cb 0.00 -1.51 -0.10 0.00 -0.75 0.00 0.00 64.21 61.85 1win n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1win h SER 3 N 1.75 0.00 0.00 -3.46 4.64 -2.09 -3.49 113.55 110.90 1win h SER 3 Ca -0.49 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.08 1win h SER 3 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1win h SER 3 CO 0.58 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 178.10 1win n GLY 4 N 1.62 1.14 3.57 -0.77 0.00 -1.26 -5.05 105.19 104.45 1win n GLY 4 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1win n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1win s SER 5 N -2.00 5.16 -0.09 1.61 0.01 -1.26 -4.94 113.70 112.19 1win s SER 5 Ca 0.00 1.18 0.02 0.00 1.31 0.00 0.00 55.95 58.46 1win s SER 5 Cb 0.00 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1win s SER 5 CO 0.00 -2.30 -0.16 -0.44 0.41 0.00 0.00 173.24 170.75 1win s SER 6 N 9.11 2.32 -0.91 2.44 0.01 -1.26 -5.04 113.70 120.36 1win s SER 6 Ca 0.88 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.73 1win s SER 6 Cb -0.21 -1.05 0.34 0.00 0.21 0.00 0.00 66.02 65.30 1win s SER 6 CO 0.29 0.04 1.88 0.61 0.41 0.00 0.00 173.24 176.47 1win n GLY 7 N 3.98 5.83 3.95 3.44 0.00 -1.26 -4.82 105.19 116.31 1win n GLY 7 Ca -0.20 -2.54 -0.28 0.00 0.00 0.00 0.00 46.02 42.99 1win n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1win n GLN 8 N -0.31 -4.11 -3.63 1.61 6.02 -1.26 -4.95 117.38 110.75 1win n GLN 8 Ca 0.50 0.48 -0.04 0.00 -0.01 0.00 0.00 57.00 57.93 1win n GLN 8 Cb 0.26 -5.00 -0.06 0.00 1.02 0.00 0.00 30.24 26.46 1win n GLN 8 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1win s ARG 9 N -6.54 0.62 0.41 -1.09 3.52 -1.26 -5.15 118.95 109.45 1win s ARG 9 Ca 0.32 1.25 -0.26 0.00 -0.13 0.00 0.00 55.73 56.90 1win s ARG 9 Cb -0.17 0.43 -0.10 0.00 -1.56 0.00 0.00 34.95 33.55 1win s ARG 9 CO 0.87 -0.16 1.27 1.51 -0.81 0.00 0.00 175.30 177.98 1win n ILE 10 N 4.73 2.46 -4.89 4.11 0.13 -1.26 -5.00 119.36 119.63 1win n ILE 10 Ca -0.16 -0.50 -0.31 0.00 -1.10 0.00 0.00 62.75 60.67 1win n ILE 10 Cb 0.55 -1.56 -0.17 0.00 -0.84 0.00 0.00 39.64 37.62 1win n ILE 10 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1win s SER 11 N -0.50 2.96 -0.88 9.51 0.15 -1.26 -5.06 113.70 118.63 1win s SER 11 Ca 0.60 -0.55 -0.25 0.00 0.70 0.00 0.00 55.95 56.45 1win s SER 11 Cb -0.52 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1win s SER 11 CO 0.59 0.11 1.87 -0.22 1.20 0.00 0.00 173.24 176.79 1win s LEU 12 N 0.61 3.22 0.13 3.45 2.96 -1.26 -4.92 118.68 122.87 1win s LEU 12 Ca -0.13 -0.63 0.08 0.00 -0.22 0.00 0.00 54.13 53.23 1win s LEU 12 Cb -0.17 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1win s LEU 12 CO 0.03 -2.55 -0.18 -1.83 -1.32 0.00 0.00 176.35 170.50 1win s GLU 13 N 6.77 1.17 -0.16 1.98 -1.05 -1.26 -5.02 118.70 121.12 1win s GLU 13 Ca 0.67 -1.29 -0.07 0.00 -0.15 0.00 0.00 54.97 54.13 1win s GLU 13 Cb -0.07 -1.25 -0.04 0.00 -0.44 0.00 0.00 34.13 32.33 1win s GLU 13 CO 0.01 0.26 0.07 0.42 0.95 0.00 0.00 175.26 176.97 1win s ILE 14 N -1.77 4.86 -0.03 1.83 1.01 -1.26 -3.03 121.20 122.80 1win s ILE 14 Ca 0.11 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.81 1win s ILE 14 Cb -0.07 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1win s ILE 14 CO 0.05 0.50 -0.23 0.00 0.00 0.00 0.00 174.94 175.26 1win s MET 15 N 0.04 2.04 -0.32 2.79 0.23 0.23 -4.99 119.30 119.31 1win s MET 15 Ca 0.06 -0.83 -0.16 0.00 -1.03 0.00 0.00 55.69 53.74 1win s MET 15 Cb -0.12 -1.88 -0.02 0.00 -1.53 0.00 0.00 34.83 31.28 1win s MET 15 CO 0.01 0.45 0.39 0.99 -2.03 0.00 0.00 175.02 174.82 1win s THR 16 N -0.39 5.15 -0.16 3.16 2.01 -1.26 -1.88 115.64 122.26 1win s THR 16 Ca 0.05 0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 1win s THR 16 Cb -0.10 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1win s THR 16 CO 0.01 -0.04 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.04 1win s LEU 17 N 2.09 2.80 -0.57 4.42 1.02 -0.94 -5.00 118.68 122.50 1win s LEU 17 Ca 0.14 -0.34 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 1win s LEU 17 Cb -0.16 -1.66 0.15 0.00 0.02 0.00 0.00 46.19 44.53 1win s LEU 17 CO 0.11 0.10 0.49 -1.10 0.02 0.00 0.00 176.35 175.97 1win s GLN 18 N 0.75 2.88 -0.85 1.70 1.11 -1.26 -2.29 119.66 121.70 1win s GLN 18 Ca -0.04 -1.93 -0.25 0.00 0.01 0.00 0.00 55.36 53.15 1win s GLN 18 Cb -0.15 -4.14 -0.04 0.00 -1.01 0.00 0.00 33.01 27.66 1win s GLN 18 CO 0.02 -1.26 1.93 -1.25 0.01 0.00 0.00 175.29 174.74 1win s PRO 19 N 1.12 2.57 0.22 2.91 0.04 -1.24 -4.89 135.00 135.72 1win s PRO 19 Ca 0.08 -0.13 0.06 0.00 0.04 0.00 0.00 61.00 61.05 1win s PRO 19 Cb -0.24 -4.95 -0.04 0.00 0.04 0.00 0.00 34.50 29.31 1win s PRO 19 CO -0.01 -3.27 0.16 -0.98 0.04 0.00 0.00 177.00 172.94 1win s ARG 20 N 7.02 2.88 -0.02 4.56 1.70 -0.64 -3.96 118.95 130.49 1win s ARG 20 Ca 0.70 -1.00 -0.02 0.00 -0.47 0.00 0.00 55.73 54.94 1win s ARG 20 Cb -0.08 -2.58 0.01 0.00 -0.57 0.00 0.00 34.95 31.73 1win s ARG 20 CO 0.03 0.43 0.06 0.00 -1.08 0.00 0.00 175.30 174.74 1win s GLU 22 N -0.03 1.00 -1.34 0.00 2.02 -1.26 -2.69 118.70 116.40 1win s GLU 22 Ca -0.01 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.16 1win s GLU 22 Cb -0.01 -1.02 0.02 0.00 0.10 0.00 0.00 34.13 33.22 1win s GLU 22 CO 0.00 0.25 1.02 -0.25 0.02 0.00 0.00 175.26 176.30 1win n ASP 23 N 1.93 -3.98 -3.99 -0.19 8.00 -1.26 -4.94 116.55 112.13 1win n ASP 23 Ca -0.18 -0.65 -0.37 0.00 0.71 0.00 0.00 54.79 54.29 1win n ASP 23 Cb 0.55 -4.69 -0.04 0.00 -0.02 0.00 0.00 41.12 36.92 1win n ASP 23 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1win n VAL 24 N -4.58 3.71 -1.61 2.53 0.24 -1.26 -4.95 118.33 112.41 1win n VAL 24 Ca -0.12 -5.38 -0.63 0.00 -2.04 0.00 0.00 64.34 56.16 1win n VAL 24 Cb 0.61 -2.28 -0.09 0.00 -1.47 0.00 0.00 33.84 30.61 1win n VAL 24 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1win n GLU 25 N 1.84 0.00 -0.47 7.34 1.02 -1.26 -3.81 120.64 125.30 1win n GLU 25 Ca 0.25 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 1win n GLU 25 Cb 0.37 -1.47 0.14 0.00 -0.02 0.00 0.00 31.44 30.46 1win n GLU 25 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1win n THR 26 N 2.92 0.00 -0.06 2.62 -2.24 -0.11 -4.59 114.28 112.82 1win n THR 26 Ca 0.26 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1win n THR 26 Cb -0.00 -1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 1win n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1win h ALA 27 N -2.48 -0.27 0.00 6.98 0.00 -1.34 0.24 119.26 122.38 1win h ALA 27 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1win h ALA 27 Cb 0.67 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1win h ALA 27 CO 0.14 -0.76 0.00 1.05 0.00 0.00 0.00 179.25 179.68 1win h GLU 28 N -0.32 0.00 0.00 0.00 9.09 -1.88 -3.46 114.58 118.01 1win h GLU 28 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1win h GLU 28 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1win h GLU 28 CO -0.45 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.02 1win n GLY 29 N 0.01 0.71 3.03 1.06 0.00 0.85 -5.10 105.19 105.74 1win n GLY 29 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1win n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 30 N -1.16 2.17 -0.21 1.61 1.01 -1.25 -4.63 120.40 117.94 1win s VAL 30 Ca 0.00 -2.02 -0.28 0.00 0.00 0.00 0.00 61.98 59.68 1win s VAL 30 Cb 0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1win s VAL 30 CO 0.00 -0.38 2.20 0.00 0.00 0.00 0.00 175.10 176.93 1win s ALA 31 N 1.01 2.75 0.13 5.51 0.00 -1.26 -0.93 121.76 128.97 1win s ALA 31 Ca 0.03 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.85 1win s ALA 31 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 18.82 1win s ALA 31 CO -0.07 -2.76 -0.09 -0.51 0.00 0.00 0.00 175.76 172.32 1win s LEU 32 N 8.18 3.04 -0.40 0.00 2.01 -1.25 -3.65 118.68 126.61 1win s LEU 32 Ca 1.00 -0.43 -0.07 0.00 0.01 0.00 0.00 54.13 54.64 1win s LEU 32 Cb -0.33 -1.80 0.08 0.00 0.01 0.00 0.00 46.19 44.15 1win s LEU 32 CO 0.35 0.16 0.21 -0.89 1.01 0.00 0.00 176.35 177.19 1win s THR 33 N -1.35 3.89 -0.23 5.49 2.01 0.18 -4.07 115.64 121.55 1win s THR 33 Ca 0.22 -1.52 -0.05 0.00 0.31 0.00 0.00 61.69 60.66 1win s THR 33 Cb -0.10 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1win s THR 33 CO 0.14 -0.49 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.88 1win s VAL 34 N 1.35 3.54 -0.03 3.82 1.01 -1.10 -1.09 120.40 127.91 1win s VAL 34 Ca 0.03 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1win s VAL 34 Cb -0.22 -2.66 -0.11 0.00 0.00 0.00 0.00 36.38 33.39 1win s VAL 34 CO 0.00 0.36 0.80 0.74 0.00 0.00 0.00 175.10 177.00 1win h THR 35 N 5.73 0.16 -1.93 3.92 2.02 -1.44 -0.48 112.91 120.90 1win h THR 35 Ca -0.39 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1win h THR 35 Cb 1.16 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1win h THR 35 CO 0.60 0.04 -0.48 0.61 0.37 0.00 0.00 175.52 176.65 1win n GLY 36 N 0.17 -3.73 3.01 2.16 0.00 -1.25 -1.62 105.19 103.92 1win n GLY 36 Ca -0.08 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1win n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 37 N -3.34 -0.34 -0.04 1.61 1.01 0.83 -3.62 120.40 116.51 1win s VAL 37 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1win s VAL 37 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1win s VAL 37 CO 0.00 0.11 0.12 0.00 0.00 0.00 0.00 175.10 175.33 1win s ALA 38 N 2.20 -0.30 0.11 5.51 0.00 -0.97 -0.17 121.76 128.14 1win s ALA 38 Ca -0.01 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 1win s ALA 38 Cb -0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1win s ALA 38 CO -0.08 -0.09 0.39 -1.14 0.00 0.00 0.00 175.76 174.84 1win s GLN 39 N -0.20 3.69 0.11 0.00 0.74 -1.13 -2.21 119.66 120.67 1win s GLN 39 Ca -0.03 0.05 -0.10 0.00 0.05 0.00 0.00 55.36 55.34 1win s GLN 39 Cb -0.02 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.17 1win s GLN 39 CO 0.00 0.52 0.24 0.54 -0.55 0.00 0.00 175.29 176.04 1win s VAL 40 N -1.52 0.12 0.12 1.34 0.11 -0.79 -2.39 120.40 117.39 1win s VAL 40 Ca 0.36 -1.13 -0.17 0.00 -2.93 0.00 0.00 61.98 58.12 1win s VAL 40 Cb -0.13 -1.41 0.04 0.00 -1.53 0.00 0.00 36.38 33.35 1win s VAL 40 CO 0.21 -0.53 0.42 -1.59 -3.33 0.00 0.00 175.10 170.28 1win s LYS 41 N -3.87 1.07 -0.18 1.54 -2.85 -1.21 -0.60 119.74 113.63 1win s LYS 41 Ca 0.07 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.10 1win s LYS 41 Cb 0.04 0.47 -0.00 0.00 -2.06 0.00 0.00 37.83 36.28 1win s LYS 41 CO -0.09 -0.42 1.08 0.42 0.10 0.00 0.00 175.35 176.44 1win s ILE 42 N -3.67 4.60 1.02 3.79 -1.09 -1.17 -3.42 121.20 121.26 1win s ILE 42 Ca 0.02 1.92 -0.19 0.00 -2.23 0.00 0.00 60.65 60.16 1win s ILE 42 Cb 0.01 -4.24 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 1win s ILE 42 CO -0.11 -0.13 -0.42 0.23 -1.23 0.00 0.00 174.94 173.29 1win n MET 43 N 6.05 -1.16 -3.76 2.79 2.81 -1.21 -4.73 117.12 117.90 1win n MET 43 Ca 0.12 -0.34 -0.21 0.00 -1.81 0.00 0.00 57.70 55.47 1win n MET 43 Cb 0.46 -1.39 -0.02 0.00 -0.71 0.00 0.00 33.22 31.56 1win n MET 43 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1win s THR 44 N -2.11 4.04 -0.29 2.03 2.01 -1.26 -4.94 115.64 115.13 1win s THR 44 Ca 0.42 -1.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 1win s THR 44 Cb -0.03 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1win s THR 44 CO 0.55 -0.21 0.06 -1.83 -0.69 0.00 0.00 174.62 172.49 1win s GLU 45 N -4.03 3.10 -0.26 4.92 -1.05 -1.26 -4.96 118.70 115.17 1win s GLU 45 Ca 0.40 -0.84 -0.15 0.00 -0.15 0.00 0.00 54.97 54.23 1win s GLU 45 Cb -0.08 -3.32 -0.14 0.00 -0.44 0.00 0.00 34.13 30.15 1win s GLU 45 CO 0.28 -0.42 -0.20 1.63 0.95 0.00 0.00 175.26 177.50 1win n LYS 46 N 4.85 0.59 0.00 -4.83 4.76 -1.26 -4.88 118.16 117.38 1win n LYS 46 Ca -0.15 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1win n LYS 46 Cb 0.48 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1win n LYS 46 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1win n GLU 47 N -4.24 0.00 -3.64 1.97 1.02 -1.26 -5.09 120.64 109.40 1win n GLU 47 Ca -0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.57 1win n GLU 47 Cb 0.85 -0.69 -0.07 0.00 -0.02 0.00 0.00 31.44 31.51 1win n GLU 47 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1win s LEU 48 N -4.95 -0.84 -0.11 -4.62 2.34 -1.26 -5.04 118.68 104.20 1win s LEU 48 Ca 0.00 1.43 0.16 0.00 0.06 0.00 0.00 54.13 55.78 1win s LEU 48 Cb 0.00 2.35 0.24 0.00 -0.56 0.00 0.00 46.19 48.23 1win s LEU 48 CO 0.00 -0.23 1.13 -0.11 -1.06 0.00 0.00 176.35 176.07 1win n LEU 49 N 3.70 2.02 -0.35 1.48 -0.00 -1.26 -4.77 117.00 117.82 1win n LEU 49 Ca -0.18 -2.78 0.32 0.00 -0.00 0.00 0.00 56.01 53.37 1win n LEU 49 Cb 0.58 -0.36 0.66 0.00 -0.00 0.00 0.00 43.42 44.29 1win n LEU 49 CO -0.00 0.64 1.29 0.00 -0.00 0.00 0.00 177.39 179.32 1win h ALA 50 N 0.00 2.81 -0.14 1.96 0.00 -1.97 0.31 119.26 122.24 1win h ALA 50 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1win h ALA 50 Cb 1.04 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1win h ALA 50 CO 0.00 -1.21 -0.16 -0.24 0.00 0.00 0.00 179.25 177.64 1win h VAL 51 N 0.14 0.57 -0.47 0.00 3.04 -1.92 -2.35 116.25 115.26 1win h VAL 51 Ca 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.30 1win h VAL 51 Cb 2.10 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 1win h VAL 51 CO -0.15 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.41 1win n ALA 52 N -2.59 3.34 -0.03 3.17 0.00 0.02 -4.19 120.51 120.23 1win n ALA 52 Ca -0.03 -1.95 -0.02 0.00 0.00 0.00 0.00 53.44 51.45 1win n ALA 52 Cb 0.22 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1win n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win h GLU 54 N -0.44 0.00 0.00 0.00 4.11 -1.80 -0.89 114.58 115.57 1win h GLU 54 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1win h GLU 54 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1win h GLU 54 CO 0.00 0.27 0.00 -0.56 0.07 0.00 0.00 179.01 178.79 1win h GLN 55 N 0.00 0.00 0.00 1.06 3.07 -1.78 -2.98 115.11 114.48 1win h GLN 55 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.67 1win h GLN 55 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 1win h GLN 55 CO 0.04 0.00 -1.20 1.19 0.09 0.00 0.00 178.83 178.94 1win n PHE 56 N -2.85 0.00 -0.59 0.06 3.72 -1.10 -4.67 117.46 112.03 1win n PHE 56 Ca -0.02 0.00 0.47 0.00 -0.05 0.00 0.00 57.45 57.84 1win n PHE 56 Cb 0.09 -0.15 0.75 0.00 -0.94 0.00 0.00 39.48 39.23 1win n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1win n LEU 57 N -3.21 0.11 -0.25 4.37 4.77 -0.36 0.10 117.00 122.54 1win n LEU 57 Ca -0.08 1.20 -0.01 0.00 -0.03 0.00 0.00 56.01 57.09 1win n LEU 57 Cb 0.54 -0.60 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1win n LEU 57 CO 0.01 -1.27 1.12 1.23 -1.33 0.00 0.00 177.39 177.15 1win h GLY 58 N 0.00 1.07 -0.60 -0.72 0.00 -1.78 -3.44 103.07 97.60 1win h GLY 58 Ca 0.91 -0.29 -0.33 0.00 0.00 0.00 0.00 47.33 47.62 1win h GLY 58 CO -0.25 0.18 -0.14 0.58 0.00 0.00 0.00 176.54 176.91 1win n LYS 59 N -4.74 0.96 -3.45 4.80 0.00 0.29 -5.13 118.16 110.89 1win n LYS 59 Ca 0.10 -2.01 -0.27 0.00 -0.00 0.00 0.00 58.31 56.13 1win n LYS 59 Cb 0.18 0.15 -0.02 0.00 -0.00 0.00 0.00 35.03 35.34 1win n LYS 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1win s ASN 60 N -2.96 6.38 0.24 -5.58 -0.87 -1.26 -4.94 114.94 105.95 1win s ASN 60 Ca 0.22 0.54 -0.07 0.00 -1.57 0.00 0.00 52.86 51.97 1win s ASN 60 Cb -0.02 -2.07 0.39 0.00 -0.02 0.00 0.00 41.25 39.54 1win s ASN 60 CO 0.14 -0.19 1.35 1.33 -2.57 0.00 0.00 177.10 177.16 1win n VAL 61 N -1.15 -0.37 -0.11 1.60 0.24 -1.26 -0.90 118.33 116.39 1win n VAL 61 Ca -0.04 1.98 -0.05 0.00 -2.04 0.00 0.00 64.34 64.20 1win n VAL 61 Cb 0.55 -2.74 -0.04 0.00 -1.47 0.00 0.00 33.84 30.14 1win n VAL 61 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1win h GLN 62 N 0.00 -0.08 -0.56 7.34 4.20 -1.98 -2.03 115.11 122.00 1win h GLN 62 Ca 0.41 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.18 1win h GLN 62 Cb 0.63 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.36 1win h GLN 62 CO -0.89 -0.05 -0.33 -3.47 -0.67 0.00 0.00 178.83 173.42 1win n ASP 63 N -3.82 -0.60 -0.20 1.46 -0.08 -0.08 -0.96 116.55 112.28 1win n ASP 63 Ca -0.00 1.25 -0.05 0.00 -1.51 0.00 0.00 54.79 54.47 1win n ASP 63 Cb 0.12 -0.25 -0.05 0.00 2.34 0.00 0.00 41.12 43.28 1win n ASP 63 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1win n ILE 64 N -4.34 -0.32 -0.33 5.18 -0.00 -0.78 0.47 119.36 119.24 1win n ILE 64 Ca 0.01 1.66 0.07 0.00 -0.00 0.00 0.00 62.75 64.49 1win n ILE 64 Cb 0.15 -2.10 0.15 0.00 -0.00 0.00 0.00 39.64 37.84 1win n ILE 64 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1win n LYS 65 N -4.09 -0.08 -0.12 0.38 5.02 -0.13 0.22 118.16 119.36 1win n LYS 65 Ca 0.01 1.41 -0.01 0.00 -2.02 0.00 0.00 58.31 57.70 1win n LYS 65 Cb 0.12 -2.13 0.25 0.00 -0.02 0.00 0.00 35.03 33.26 1win n LYS 65 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1win h ASN 66 N 0.00 0.73 0.39 4.39 2.35 0.21 -1.82 115.58 121.83 1win h ASN 66 Ca 0.45 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 56.10 1win h ASN 66 Cb 0.73 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1win h ASN 66 CO -0.93 0.64 -0.19 0.58 -1.65 0.00 0.00 177.43 175.89 1win h VAL 67 N 0.80 0.00 -0.84 2.81 2.07 0.40 -1.48 116.25 120.00 1win h VAL 67 Ca 0.19 -0.14 0.24 0.00 0.82 0.00 0.00 66.70 67.82 1win h VAL 67 Cb 0.12 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 1win h VAL 67 CO -0.02 0.00 0.65 0.58 0.02 0.00 0.00 177.57 178.80 1win h VAL 68 N -0.67 0.49 -0.17 2.57 2.07 -1.14 0.19 116.25 119.59 1win h VAL 68 Ca -0.05 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.29 1win h VAL 68 Cb 0.40 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1win h VAL 68 CO 0.09 0.00 -0.60 0.25 0.02 0.00 0.00 177.57 177.33 1win h LEU 69 N 0.00 0.82 -1.73 2.57 5.85 -1.23 -3.12 115.31 118.47 1win h LEU 69 Ca 0.40 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1win h LEU 69 Cb 1.70 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1win h LEU 69 CO -0.00 1.28 0.24 1.56 -0.34 0.00 0.00 178.44 181.17 1win h GLN 70 N 0.40 0.35 0.67 1.25 1.08 0.47 0.20 115.11 119.52 1win h GLN 70 Ca -0.03 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1win h GLN 70 Cb 1.23 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.58 1win h GLN 70 CO 0.13 0.23 -0.32 1.15 -0.95 0.00 0.00 178.83 179.06 1win h THR 71 N 0.36 0.00 -0.76 -0.54 2.02 -1.43 -0.88 112.91 111.67 1win h THR 71 Ca 0.14 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1win h THR 71 Cb 0.13 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 1win h THR 71 CO -0.03 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.15 1win h LEU 72 N -1.14 0.99 0.33 2.58 3.38 -1.48 -2.83 115.31 117.14 1win h LEU 72 Ca -0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1win h LEU 72 Cb 0.69 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1win h LEU 72 CO 0.15 0.83 -0.19 -0.33 0.09 0.00 0.00 178.44 178.99 1win h GLU 73 N 1.08 -0.48 -0.83 1.13 5.08 -0.63 -2.11 114.58 117.82 1win h GLU 73 Ca 0.26 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.81 1win h GLU 73 Cb 0.11 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 1win h GLU 73 CO -0.03 -0.32 0.40 0.78 -1.00 0.00 0.00 179.01 178.84 1win h GLY 74 N -0.50 1.33 1.34 -3.84 0.00 -1.00 0.22 103.07 100.62 1win h GLY 74 Ca -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1win h GLY 74 CO 0.04 -0.07 0.23 0.45 0.00 0.00 0.00 176.54 177.19 1win h HIS 75 N 0.56 0.85 -0.62 5.60 3.86 -1.25 -1.76 115.15 122.39 1win h HIS 75 Ca 0.46 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.64 1win h HIS 75 Cb 0.68 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 1win h HIS 75 CO -0.11 0.66 0.39 1.25 0.86 0.00 0.00 177.93 180.98 1win h LEU 76 N 0.84 0.66 -0.40 2.43 5.85 -0.28 0.19 115.31 124.60 1win h LEU 76 Ca 0.20 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 1win h LEU 76 Cb 0.17 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1win h LEU 76 CO -0.02 0.46 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.12 1win h ARG 77 N 0.78 0.94 0.05 1.25 2.43 -1.11 -0.50 114.38 118.22 1win h ARG 77 Ca 0.24 -0.47 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1win h ARG 77 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1win h ARG 77 CO -0.08 1.13 -0.02 0.77 -1.51 0.00 0.00 179.97 180.26 1win h SER 78 N 0.77 -0.06 -0.40 -3.80 0.02 -0.93 0.25 113.55 109.40 1win h SER 78 Ca 0.07 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1win h SER 78 Cb 0.93 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1win h SER 78 CO 0.09 0.20 0.01 0.40 -1.14 0.00 0.00 176.83 176.38 1win h ILE 79 N -0.31 1.24 -0.19 3.27 1.08 -0.66 -3.00 117.51 118.93 1win h ILE 79 Ca -0.01 -0.98 -0.10 0.00 -0.39 0.00 0.00 64.86 63.39 1win h ILE 79 Cb 0.28 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1win h ILE 79 CO 0.01 0.35 -0.25 0.25 -0.69 0.00 0.00 178.15 177.82 1win h LEU 80 N 0.74 0.56 -0.71 1.44 6.46 -0.98 -2.79 115.31 120.03 1win h LEU 80 Ca 0.15 -0.50 0.15 0.00 -0.12 0.00 0.00 57.88 57.55 1win h LEU 80 Cb 0.43 -0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 40.09 1win h LEU 80 CO 0.02 0.95 0.11 1.23 -0.62 0.00 0.00 178.44 180.13 1win h GLY 81 N 0.18 0.90 2.00 3.75 0.00 -0.36 0.54 103.07 110.08 1win h GLY 81 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1win h GLY 81 CO 0.06 -0.21 0.00 -0.37 0.00 0.00 0.00 176.54 176.02 1win n THR 82 N -5.21 0.39 -3.67 4.70 5.66 -1.17 -1.75 114.28 113.23 1win n THR 82 Ca 0.13 -0.01 -0.35 0.00 -3.05 0.00 0.00 64.05 60.76 1win n THR 82 Cb 0.44 -0.66 -0.08 0.00 -1.55 0.00 0.00 70.33 68.48 1win n THR 82 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1win s LEU 83 N -3.53 4.22 0.29 1.09 2.96 0.19 -4.83 118.68 119.07 1win s LEU 83 Ca 0.11 0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 1win s LEU 83 Cb 0.15 -2.18 -0.10 0.00 0.50 0.00 0.00 46.19 44.56 1win s LEU 83 CO 0.49 0.15 1.13 0.42 -1.32 0.00 0.00 176.35 177.23 1win s THR 84 N 0.40 3.36 0.29 3.68 -4.23 -1.26 -3.34 115.64 114.54 1win s THR 84 Ca 0.11 1.36 0.03 0.00 -1.18 0.00 0.00 61.69 62.01 1win s THR 84 Cb -0.12 -3.86 0.38 0.00 1.34 0.00 0.00 72.50 70.24 1win s THR 84 CO -0.00 0.31 1.43 0.55 -0.54 0.00 0.00 174.62 176.37 1win n VAL 85 N 1.06 -0.38 0.36 2.29 3.14 -1.26 -0.07 118.33 123.47 1win n VAL 85 Ca -0.01 2.00 -0.18 0.00 -2.96 0.00 0.00 64.34 63.19 1win n VAL 85 Cb 0.44 -2.94 -0.09 0.00 -1.06 0.00 0.00 33.84 30.20 1win n VAL 85 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1win h GLU 86 N 0.00 -0.91 -0.86 1.45 5.08 -2.01 -2.79 114.58 114.55 1win h GLU 86 Ca 0.57 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 59.22 1win h GLU 86 Cb 1.22 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 30.53 1win h GLU 86 CO -0.85 -0.60 0.14 1.96 -1.00 0.00 0.00 179.01 178.66 1win h GLN 87 N -0.94 0.14 -0.91 2.33 4.20 -0.85 0.67 115.11 119.75 1win h GLN 87 Ca -0.08 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.79 1win h GLN 87 Cb 0.74 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.42 1win h GLN 87 CO 0.11 0.09 0.59 0.82 -0.67 0.00 0.00 178.83 179.77 1win h ILE 88 N 0.14 0.74 0.01 2.54 2.04 -1.09 -1.87 117.51 120.02 1win h ILE 88 Ca 0.52 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 66.10 1win h ILE 88 Cb 1.02 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1win h ILE 88 CO -0.70 0.11 -0.33 1.88 0.00 0.00 0.00 178.15 179.10 1win h TYR 89 N 0.58 0.32 -0.66 1.37 0.05 0.40 -3.34 116.97 115.68 1win h TYR 89 Ca 0.48 -0.18 0.06 0.00 0.05 0.00 0.00 58.73 59.14 1win h TYR 89 Cb 0.95 -0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.57 1win h TYR 89 CO -0.00 1.00 -0.39 1.04 -1.05 0.00 0.00 178.16 178.76 1win n GLN 90 N -4.44 -0.29 -3.63 4.88 1.13 -0.49 -4.27 117.38 110.27 1win n GLN 90 Ca -0.10 1.03 -0.14 0.00 -1.94 0.00 0.00 57.00 55.85 1win n GLN 90 Cb 0.55 -1.51 -0.13 0.00 0.11 0.00 0.00 30.24 29.26 1win n GLN 90 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1win s ASP 91 N -5.23 0.47 -0.14 1.08 1.47 -1.19 -5.05 116.67 108.09 1win s ASP 91 Ca -0.08 0.48 -0.25 0.00 1.18 0.00 0.00 52.55 53.88 1win s ASP 91 Cb 0.07 0.68 -0.23 0.00 -0.34 0.00 0.00 42.92 43.10 1win s ASP 91 CO 0.41 -0.25 0.64 0.03 0.68 0.00 0.00 175.17 176.67 1win h ARG 92 N 8.29 0.00 -1.23 2.11 3.08 -1.74 -3.06 114.38 121.82 1win h ARG 92 Ca -0.15 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.26 1win h ARG 92 Cb 1.12 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.10 1win h ARG 92 CO 0.16 0.90 0.86 0.22 -1.07 0.00 0.00 179.97 181.03 1win h ASP 93 N -1.00 0.13 0.75 7.04 3.58 -1.95 0.79 116.42 125.75 1win h ASP 93 Ca -0.03 0.03 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1win h ASP 93 Cb 0.93 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1win h ASP 93 CO -0.02 0.00 -1.19 -0.61 -2.88 0.00 0.00 179.24 174.54 1win h GLN 94 N 0.10 0.16 0.34 0.28 -0.00 -1.98 -3.21 115.11 110.80 1win h GLN 94 Ca 0.63 -0.27 -0.02 0.00 -0.00 0.00 0.00 58.65 58.99 1win h GLN 94 Cb 2.25 0.10 0.00 0.00 0.00 0.00 0.00 27.48 29.83 1win h GLN 94 CO -0.11 1.10 -0.17 0.35 0.00 0.00 0.00 178.83 180.01 1win h PHE 95 N 0.04 -0.43 -0.00 3.99 3.57 0.62 -2.94 116.94 121.79 1win h PHE 95 Ca -0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1win h PHE 95 Cb 1.90 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.78 1win h PHE 95 CO 0.04 -0.09 0.19 0.00 -2.23 0.00 0.00 178.31 176.21 1win h ALA 96 N -0.47 1.19 0.39 2.41 0.00 -1.23 -2.42 119.26 119.13 1win h ALA 96 Ca -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1win h ALA 96 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1win h ALA 96 CO 0.08 -0.19 -0.19 -0.22 0.00 0.00 0.00 179.25 178.73 1win h LYS 97 N 0.00 -0.50 0.00 0.00 3.64 -1.52 -2.47 116.57 115.72 1win h LYS 97 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1win h LYS 97 Cb 0.37 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1win h LYS 97 CO -0.00 -0.28 0.45 -0.07 -2.27 0.00 0.00 179.45 177.28 1win h LEU 98 N -1.10 0.00 0.00 5.20 4.07 -1.30 0.96 115.31 123.14 1win h LEU 98 Ca -0.05 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.64 1win h LEU 98 Cb 0.45 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 1win h LEU 98 CO 0.09 0.00 -1.62 0.58 -1.08 0.00 0.00 178.44 176.41 1win h VAL 99 N 0.00 0.79 0.18 1.22 2.07 -1.48 -3.17 116.25 115.87 1win h VAL 99 Ca 0.00 -2.57 -0.35 0.00 0.82 0.00 0.00 66.70 64.60 1win h VAL 99 Cb 0.90 2.35 0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1win h VAL 99 CO 0.00 0.45 -1.76 0.08 0.02 0.00 0.00 177.57 176.37 1win h ARG 100 N 0.00 0.39 -0.02 1.57 0.11 0.13 -3.07 114.38 113.48 1win h ARG 100 Ca -0.25 -0.67 -0.10 0.00 0.10 0.00 0.00 59.98 59.06 1win h ARG 100 Cb 1.91 0.25 -0.01 0.00 1.11 0.00 0.00 29.97 33.23 1win h ARG 100 CO 0.07 1.31 -0.44 1.05 0.10 0.00 0.00 179.97 182.06 1win h GLU 101 N 0.11 0.06 0.00 0.08 4.11 -0.80 0.41 114.58 118.54 1win h GLU 101 Ca -0.34 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 58.83 1win h GLU 101 Cb 2.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1win h GLU 101 CO 0.18 0.49 -0.94 -0.24 0.07 0.00 0.00 179.01 178.56 1win h VAL 102 N 0.05 1.41 0.10 -1.06 3.04 -1.67 -3.31 116.25 114.81 1win h VAL 102 Ca 0.00 -2.48 -0.30 0.00 -1.01 0.00 0.00 66.70 62.91 1win h VAL 102 Cb 0.80 2.44 -0.01 0.00 -2.01 0.00 0.00 31.29 32.51 1win h VAL 102 CO 0.06 0.74 -1.49 0.00 -1.01 0.00 0.00 177.57 175.86 1win h ALA 103 N 0.76 0.30 -0.83 3.17 0.00 -1.42 -3.34 119.26 117.89 1win h ALA 103 Ca -0.08 -1.11 0.10 0.00 0.00 0.00 0.00 54.91 53.83 1win h ALA 103 Cb 1.58 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 19.50 1win h ALA 103 CO 0.16 1.16 -0.40 0.00 0.00 0.00 0.00 179.25 180.17 1win n ALA 104 N -2.63 -0.30 0.26 0.00 0.00 0.14 0.21 120.51 118.19 1win n ALA 104 Ca -0.15 0.78 0.15 0.00 0.00 0.00 0.00 53.44 54.22 1win n ALA 104 Cb 1.04 -0.26 0.64 0.00 0.00 0.00 0.00 19.45 20.88 1win n ALA 104 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1win h PRO 105 N 0.00 0.00 0.11 0.00 0.13 -1.73 -2.99 132.00 127.53 1win h PRO 105 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1win h PRO 105 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1win h PRO 105 CO -0.81 0.07 -0.05 -0.44 -0.23 0.00 0.00 178.00 176.54 1win h ASP 106 N 0.00 -0.12 -0.86 1.44 5.19 0.23 -3.31 116.42 118.98 1win h ASP 106 Ca -0.00 -0.06 0.23 0.00 -0.62 0.00 0.00 57.03 56.58 1win h ASP 106 Cb 0.55 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1win h ASP 106 CO 0.01 0.39 0.60 -0.37 -3.12 0.00 0.00 179.24 176.75 1win h VAL 107 N -1.03 0.60 0.00 -1.35 -1.51 -0.41 0.22 116.25 112.78 1win h VAL 107 Ca -0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1win h VAL 107 Cb 0.18 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 1win h VAL 107 CO 0.02 0.02 0.16 1.23 -1.23 0.00 0.00 177.57 177.77 1win h GLY 108 N 0.11 0.00 0.36 5.19 0.00 -1.54 -1.39 103.07 105.80 1win h GLY 108 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1win h GLY 108 CO -0.05 0.00 -0.06 3.21 0.00 0.00 0.00 176.54 179.64 1win h ARG 109 N 0.00 -0.17 -0.18 4.80 3.08 -0.72 -3.29 114.38 117.91 1win h ARG 109 Ca 0.00 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1win h ARG 109 Cb 0.31 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1win h ARG 109 CO 0.00 0.30 -0.34 0.00 -1.07 0.00 0.00 179.97 178.86 1win h MET 110 N -0.81 0.37 0.00 0.04 -0.00 -1.54 -3.47 114.93 109.52 1win h MET 110 Ca -0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 1win h MET 110 Cb 0.55 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 1win h MET 110 CO 0.03 0.67 0.00 0.41 -0.00 0.00 0.00 176.91 178.02 1win n GLY 111 N -0.25 1.99 3.48 -3.00 0.00 -0.60 -3.84 105.19 102.97 1win n GLY 111 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1win n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1win s ILE 112 N -2.00 3.05 -0.10 -0.61 -1.09 -0.75 -3.32 121.20 116.37 1win s ILE 112 Ca 0.00 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1win s ILE 112 Cb 0.00 -2.22 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 1win s ILE 112 CO 0.00 0.54 -0.14 -0.70 -1.23 0.00 0.00 174.94 173.41 1win s GLU 113 N -0.89 3.07 -0.10 2.79 2.12 -1.22 -3.42 118.70 121.05 1win s GLU 113 Ca 0.12 -0.70 -0.18 0.00 0.36 0.00 0.00 54.97 54.57 1win s GLU 113 Cb -0.11 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 1win s GLU 113 CO 0.02 0.35 0.50 0.96 -0.54 0.00 0.00 175.26 176.55 1win s ILE 114 N -0.02 5.15 -0.14 -3.70 -5.25 -1.26 -3.35 121.20 112.63 1win s ILE 114 Ca -0.04 1.00 -0.13 0.00 -0.99 0.00 0.00 60.65 60.49 1win s ILE 114 Cb -0.14 -3.83 -0.11 0.00 2.95 0.00 0.00 42.46 41.33 1win s ILE 114 CO 0.04 0.34 0.20 -0.07 -1.79 0.00 0.00 174.94 173.66 1win h LEU 115 N 6.54 0.00 -8.07 0.37 -0.00 -1.85 -3.50 115.31 108.80 1win h LEU 115 Ca -0.42 -0.35 0.01 0.00 -0.00 0.00 0.00 57.88 57.12 1win h LEU 115 Cb 1.18 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.77 1win h LEU 115 CO 0.74 0.86 0.07 -0.44 -0.00 0.00 0.00 178.44 179.67 1win s SER 116 N -5.99 -0.19 -0.14 -0.43 0.01 -1.25 -5.01 113.70 100.69 1win s SER 116 Ca -0.13 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.36 1win s SER 116 Cb 0.01 0.66 0.07 0.00 0.21 0.00 0.00 66.02 66.97 1win s SER 116 CO 0.33 -1.24 0.23 0.12 0.41 0.00 0.00 173.24 173.10 1win s PHE 117 N -3.96 -0.34 0.31 2.43 2.19 -1.26 -2.82 117.98 114.54 1win s PHE 117 Ca 0.16 0.69 0.03 0.00 0.33 0.00 0.00 56.93 58.13 1win s PHE 117 Cb -0.03 -0.17 -0.04 0.00 -1.31 0.00 0.00 43.02 41.47 1win s PHE 117 CO 0.07 -0.42 0.15 0.99 1.83 0.00 0.00 175.22 177.84 1win s THR 118 N 2.37 0.42 -0.09 0.12 2.01 0.76 -4.56 115.64 116.67 1win s THR 118 Ca 0.04 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.05 1win s THR 118 Cb -0.13 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1win s THR 118 CO -0.09 0.00 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.09 1win s ILE 119 N -3.55 3.18 0.00 1.82 -1.09 -1.26 -0.12 121.20 120.18 1win s ILE 119 Ca 0.34 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1win s ILE 119 Cb 0.05 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1win s ILE 119 CO 0.17 0.56 0.00 1.17 -1.23 0.00 0.00 174.94 175.61 1win n LYS 120 N 2.84 0.00 -4.11 2.79 4.81 -1.26 -4.83 118.16 118.40 1win n LYS 120 Ca -0.18 0.13 -0.15 0.00 -0.87 0.00 0.00 58.31 57.24 1win n LYS 120 Cb 0.52 -0.51 -0.12 0.00 0.02 0.00 0.00 35.03 34.94 1win n LYS 120 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1win s ASP 121 N -2.49 1.19 -0.21 3.14 -1.08 -1.26 -4.97 116.67 110.99 1win s ASP 121 Ca 0.00 -0.58 -0.04 0.00 -0.52 0.00 0.00 52.55 51.40 1win s ASP 121 Cb 0.00 0.00 0.08 0.00 -1.46 0.00 0.00 42.92 41.55 1win s ASP 121 CO 0.00 -0.16 0.16 -0.69 0.52 0.00 0.00 175.17 175.00 1win s VAL 122 N -1.37 -0.19 0.15 1.11 1.01 -1.26 -1.20 120.40 118.64 1win s VAL 122 Ca -0.06 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1win s VAL 122 Cb -0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1win s VAL 122 CO 0.01 -0.34 -0.15 -0.72 0.00 0.00 0.00 175.10 173.91 1win s TYR 123 N 2.22 1.58 -0.41 5.22 1.13 -0.25 -4.97 117.35 121.86 1win s TYR 123 Ca 0.05 -0.55 -0.22 0.00 -1.41 0.00 0.00 57.07 54.94 1win s TYR 123 Cb -0.16 -0.79 0.02 0.00 -1.10 0.00 0.00 41.96 39.93 1win s TYR 123 CO -0.16 0.24 0.75 -0.51 -2.51 0.00 0.00 175.55 173.36 1win s ASP 124 N -2.75 6.44 0.31 -0.18 1.11 -1.26 0.51 116.67 120.85 1win s ASP 124 Ca 0.14 0.02 0.02 0.00 0.18 0.00 0.00 52.55 52.91 1win s ASP 124 Cb -0.04 -2.37 0.57 0.00 1.07 0.00 0.00 42.92 42.15 1win s ASP 124 CO 0.05 -0.81 1.91 0.50 1.18 0.00 0.00 175.17 178.00 1win h LYS 125 N 8.77 0.95 -0.41 8.23 3.11 -1.88 0.14 116.57 135.47 1win h LYS 125 Ca -0.25 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1win h LYS 125 Cb 1.09 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 1win h LYS 125 CO 0.92 0.63 0.00 1.33 -2.81 0.00 0.00 179.45 179.52 1win n VAL 126 N -4.50 0.55 -4.24 2.00 0.24 -1.26 -4.90 118.33 106.22 1win n VAL 126 Ca 0.14 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.34 61.66 1win n VAL 126 Cb 0.22 0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.63 1win n VAL 126 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1win n ASP 127 N 0.35 -2.04 0.19 -1.34 9.92 0.48 -4.87 116.55 119.24 1win n ASP 127 Ca 0.10 -1.08 -0.08 0.00 -0.53 0.00 0.00 54.79 53.20 1win n ASP 127 Cb 0.33 -2.50 -0.04 0.00 -0.64 0.00 0.00 41.12 38.28 1win n ASP 127 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1win h TYR 128 N -1.49 -0.48 -0.23 1.24 5.03 -1.91 -2.72 116.97 116.40 1win h TYR 128 Ca -0.61 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 60.70 1win h TYR 128 Cb 1.38 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.81 1win h TYR 128 CO 0.61 -0.30 0.13 -0.07 -1.32 0.00 0.00 178.16 177.21 1win h LEU 129 N -0.80 0.21 -1.96 2.82 -0.00 -1.93 -1.67 115.31 111.99 1win h LEU 129 Ca -0.05 0.00 0.20 0.00 -0.00 0.00 0.00 57.88 58.03 1win h LEU 129 Cb 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 1win h LEU 129 CO 0.09 0.16 0.55 0.77 -0.00 0.00 0.00 178.44 180.01 1win h SER 130 N 0.28 0.00 -0.28 -0.43 4.64 -1.94 0.15 113.55 115.97 1win h SER 130 Ca 0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1win h SER 130 Cb -0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 1win h SER 130 CO -0.05 0.00 0.20 -0.24 -0.87 0.00 0.00 176.83 175.87 1win n SER 131 N -4.05 3.84 -0.07 4.97 2.88 -0.63 -3.68 113.62 116.88 1win n SER 131 Ca 0.13 -2.53 -0.08 0.00 -1.33 0.00 0.00 58.87 55.06 1win n SER 131 Cb 0.81 -0.71 -0.11 0.00 -0.75 0.00 0.00 64.21 63.46 1win n SER 131 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1win n LEU 132 N 0.21 0.58 0.00 2.46 4.77 0.54 -4.97 117.00 120.59 1win n LEU 132 Ca 0.17 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1win n LEU 132 Cb 0.77 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1win n LEU 132 CO 0.18 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1win n GLY 133 N 2.22 -0.18 3.45 -0.72 0.00 -1.24 -5.11 105.19 103.61 1win n GLY 133 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1win n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1win n LYS 134 N -2.47 -0.04 0.00 1.61 4.01 -1.25 -4.94 118.16 115.08 1win n LYS 134 Ca 0.00 0.04 0.05 0.00 -0.51 0.00 0.00 58.31 57.89 1win n LYS 134 Cb 0.00 -1.87 -0.05 0.00 -0.51 0.00 0.00 35.03 32.60 1win n LYS 134 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1win n THR 135 N -3.11 0.00 -3.68 -0.18 5.66 -1.26 -4.68 114.28 107.02 1win n THR 135 Ca 0.08 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 60.67 1win n THR 135 Cb 0.52 1.03 -0.13 0.00 -1.55 0.00 0.00 70.33 70.20 1win n THR 135 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1win s GLN 136 N -1.87 0.16 0.21 1.09 0.74 -1.26 -5.02 119.66 113.70 1win s GLN 136 Ca 0.05 0.67 0.14 0.00 0.05 0.00 0.00 55.36 56.27 1win s GLN 136 Cb 0.08 -0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.10 1win s GLN 136 CO 0.40 -0.25 1.28 0.00 -0.55 0.00 0.00 175.29 176.17 1win h THR 137 N 6.16 0.89 -3.91 -0.34 1.03 -1.94 -3.47 112.91 111.34 1win h THR 137 Ca -0.22 -2.32 -0.54 0.00 -0.01 0.00 0.00 66.41 63.32 1win h THR 137 Cb 1.13 2.39 0.19 0.00 -1.07 0.00 0.00 68.15 70.79 1win h THR 137 CO 0.21 0.51 0.05 -1.20 -0.01 0.00 0.00 175.52 175.08 1win n SER 138 N -3.16 0.09 -4.90 0.00 7.64 -1.26 -5.00 113.62 107.03 1win n SER 138 Ca -0.01 0.53 -0.33 0.00 1.01 0.00 0.00 58.87 60.07 1win n SER 138 Cb 0.79 -1.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.53 1win n SER 138 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1win s GLY 139 N -2.04 2.22 0.53 0.23 0.00 -1.26 -4.99 107.32 102.02 1win s GLY 139 Ca 0.69 -0.65 0.33 0.00 0.00 0.00 0.00 44.72 45.09 1win s GLY 139 CO 0.55 -0.53 1.97 -0.56 0.00 0.00 0.00 173.10 174.54 1win h PRO 140 N 3.57 0.00 -4.61 2.90 0.13 -1.94 -3.45 132.00 128.59 1win h PRO 140 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 1win h PRO 140 Cb 1.18 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.38 1win h PRO 140 CO 0.70 0.00 -0.27 0.43 -0.23 0.00 0.00 178.00 178.62 1win n SER 141 N -3.01 -0.68 -3.84 1.44 7.64 -1.26 0.95 113.62 114.87 1win n SER 141 Ca 0.01 0.88 -0.31 0.00 1.01 0.00 0.00 58.87 60.45 1win n SER 141 Cb 0.29 -0.72 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 1win n SER 141 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1win n SER 142 N 1.42 -0.92 0.00 6.43 3.41 -1.26 -5.26 113.62 117.44 1win n SER 142 Ca 0.14 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1win n SER 142 Cb 0.15 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1win n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49