#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1win s SER 2 N 0.00 6.83 0.40 1.61 1.04 -1.26 -4.98 113.70 117.33 1win s SER 2 Ca 0.00 -2.39 -0.23 0.00 0.48 0.00 0.00 55.95 53.80 1win s SER 2 Cb 0.00 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.50 1win s SER 2 CO 0.00 -1.12 1.01 -0.55 0.98 0.00 0.00 173.24 173.56 1win s SER 3 N 3.99 6.83 0.00 7.02 0.15 -1.26 -5.04 113.70 125.40 1win s SER 3 Ca 0.49 1.94 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1win s SER 3 Cb 0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1win s SER 3 CO 0.02 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1win n GLY 4 N 0.15 1.72 2.91 9.45 0.00 -1.26 -5.14 105.19 113.03 1win n GLY 4 Ca 0.05 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1win n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1win s SER 5 N 1.00 1.23 0.29 1.61 1.04 -1.26 -5.14 113.70 112.47 1win s SER 5 Ca 0.00 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.14 1win s SER 5 Cb 0.00 -0.55 0.01 0.00 0.10 0.00 0.00 66.02 65.58 1win s SER 5 CO 0.00 -0.05 0.56 -0.94 0.98 0.00 0.00 173.24 173.79 1win s SER 6 N 0.97 0.09 0.00 7.02 1.04 -1.26 -5.18 113.70 116.38 1win s SER 6 Ca -0.10 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1win s SER 6 Cb -0.14 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1win s SER 6 CO 0.00 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1win n GLY 7 N -0.45 1.63 2.11 7.32 0.00 -1.26 -5.02 105.19 109.52 1win n GLY 7 Ca -0.02 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 3.51 -3.24 1.61 1.13 -1.26 -5.03 117.38 114.11 1win n GLN 8 Ca 0.00 -4.13 -0.13 0.00 -1.94 0.00 0.00 57.00 50.81 1win n GLN 8 Cb 0.00 -2.28 -0.04 0.00 0.11 0.00 0.00 30.24 28.03 1win n GLN 8 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1win n ARG 9 N -0.70 0.62 -2.50 -1.09 1.85 -1.26 -5.14 116.66 108.44 1win n ARG 9 Ca 0.45 -1.79 -0.35 0.00 -1.00 0.00 0.00 57.85 55.16 1win n ARG 9 Cb 0.90 1.09 -0.03 0.00 -1.05 0.00 0.00 32.46 33.36 1win n ARG 9 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1win s ILE 10 N -2.43 3.66 -0.24 8.89 2.07 -1.26 -5.01 121.20 126.88 1win s ILE 10 Ca 0.13 1.12 -0.14 0.00 -1.41 0.00 0.00 60.65 60.36 1win s ILE 10 Cb 0.01 -3.51 -0.04 0.00 0.13 0.00 0.00 42.46 39.05 1win s ILE 10 CO 0.09 -0.14 0.31 -0.44 -1.91 0.00 0.00 174.94 172.86 1win s SER 11 N -1.78 6.25 -0.25 4.50 0.01 -1.26 -4.96 113.70 116.21 1win s SER 11 Ca 0.64 0.29 -0.09 0.00 1.31 0.00 0.00 55.95 58.11 1win s SER 11 Cb -0.20 -2.18 -0.15 0.00 0.21 0.00 0.00 66.02 63.70 1win s SER 11 CO 0.24 -0.08 -0.21 0.18 0.41 0.00 0.00 173.24 173.78 1win n LEU 12 N 4.80 2.35 -3.62 2.44 4.77 -1.26 -4.62 117.00 121.85 1win n LEU 12 Ca -0.10 0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1win n LEU 12 Cb 0.51 -0.89 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1win n LEU 12 CO 0.37 0.70 -0.58 -1.84 -1.33 0.00 0.00 177.39 174.70 1win n GLU 13 N -3.87 0.00 -1.92 3.23 0.00 -1.26 -3.67 120.64 113.16 1win n GLU 13 Ca -0.48 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.26 1win n GLU 13 Cb 0.92 -0.85 -0.03 0.00 0.00 0.00 0.00 31.44 31.47 1win n GLU 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1win s ILE 14 N -1.71 2.64 -0.22 3.84 1.01 -1.26 -4.53 121.20 120.97 1win s ILE 14 Ca 0.48 0.42 -0.09 0.00 0.00 0.00 0.00 60.65 61.45 1win s ILE 14 Cb -0.41 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1win s ILE 14 CO 0.57 0.03 0.12 -0.04 0.00 0.00 0.00 174.94 175.62 1win s MET 15 N 1.40 4.02 -0.57 2.79 -1.94 0.33 -4.95 119.30 120.37 1win s MET 15 Ca 0.71 -0.30 -0.24 0.00 -1.71 0.00 0.00 55.69 54.14 1win s MET 15 Cb -0.44 -3.42 0.04 0.00 2.01 0.00 0.00 34.83 33.03 1win s MET 15 CO 0.31 0.12 0.98 0.99 -0.01 0.00 0.00 175.02 177.42 1win s THR 16 N 0.84 4.32 -0.29 2.05 2.01 -1.26 -1.58 115.64 121.74 1win s THR 16 Ca 0.06 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 1win s THR 16 Cb -0.13 -4.59 0.03 0.00 0.01 0.00 0.00 72.50 67.82 1win s THR 16 CO 0.03 -1.20 0.02 -0.76 -0.69 0.00 0.00 174.62 172.01 1win s LEU 17 N 4.12 3.71 -0.55 4.42 1.43 -1.02 -5.01 118.68 125.78 1win s LEU 17 Ca 0.31 -0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 1win s LEU 17 Cb -0.12 -1.77 0.14 0.00 0.03 0.00 0.00 46.19 44.46 1win s LEU 17 CO 0.19 -0.20 0.51 0.00 0.23 0.00 0.00 176.35 177.07 1win s GLN 18 N 1.38 2.99 -0.74 1.70 0.00 -1.26 -2.86 119.66 120.87 1win s GLN 18 Ca -0.00 -1.77 -0.26 0.00 -0.00 0.00 0.00 55.36 53.33 1win s GLN 18 Cb -0.18 -4.28 -0.03 0.00 0.00 0.00 0.00 33.01 28.52 1win s GLN 18 CO -0.00 -1.32 1.90 -1.25 0.00 0.00 0.00 175.29 174.62 1win s PRO 19 N 1.47 2.59 -0.10 9.60 0.04 -1.26 -4.89 135.00 142.47 1win s PRO 19 Ca 0.04 0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.28 1win s PRO 19 Cb -0.28 -4.68 -0.03 0.00 0.04 0.00 0.00 34.50 29.54 1win s PRO 19 CO 0.02 -3.02 -0.01 0.50 0.04 0.00 0.00 177.00 174.53 1win s ARG 20 N 7.03 3.07 0.03 4.56 3.52 -1.05 -4.13 118.95 132.00 1win s ARG 20 Ca 0.69 -0.43 0.05 0.00 -0.13 0.00 0.00 55.73 55.90 1win s ARG 20 Cb -0.10 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1win s ARG 20 CO 0.11 0.63 -0.15 0.00 -0.81 0.00 0.00 175.30 175.08 1win s GLU 22 N -1.05 1.04 -0.69 0.00 2.02 -1.26 -2.97 118.70 115.78 1win s GLU 22 Ca 0.03 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 1win s GLU 22 Cb -0.08 -1.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.12 1win s GLU 22 CO 0.01 0.27 0.59 -0.25 0.02 0.00 0.00 175.26 175.90 1win n ASP 23 N 2.45 -3.04 -4.04 -0.19 8.00 -1.25 -5.02 116.55 113.46 1win n ASP 23 Ca -0.15 -0.39 -0.32 0.00 0.71 0.00 0.00 54.79 54.63 1win n ASP 23 Cb 0.55 -3.32 -0.14 0.00 -0.02 0.00 0.00 41.12 38.19 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1win s VAL 24 N -3.22 2.44 0.24 2.53 -7.23 -1.22 -4.93 120.40 109.01 1win s VAL 24 Ca 0.10 -2.29 -0.31 0.00 -1.81 0.00 0.00 61.98 57.67 1win s VAL 24 Cb -0.01 -2.77 -0.11 0.00 0.56 0.00 0.00 36.38 34.04 1win s VAL 24 CO 0.44 -0.60 1.65 -1.61 -0.31 0.00 0.00 175.10 174.67 1win s GLU 25 N 0.94 4.13 0.94 4.82 2.02 -1.26 -2.08 118.70 128.21 1win s GLU 25 Ca 0.10 2.57 -0.14 0.00 0.02 0.00 0.00 54.97 57.53 1win s GLU 25 Cb -0.20 -3.06 0.16 0.00 0.10 0.00 0.00 34.13 31.13 1win s GLU 25 CO -0.07 -0.69 1.17 0.95 0.02 0.00 0.00 175.26 176.64 1win s THR 26 N 0.67 1.96 0.08 3.63 -4.23 0.18 -4.53 115.64 113.38 1win s THR 26 Ca 0.69 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 61.06 1win s THR 26 Cb -0.48 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 1win s THR 26 CO 0.39 0.00 0.98 0.00 -0.54 0.00 0.00 174.62 175.45 1win n ALA 27 N -3.81 -0.30 0.05 3.99 0.00 0.23 -0.10 120.51 120.56 1win n ALA 27 Ca 0.09 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.82 1win n ALA 27 Cb 0.60 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 1win n ALA 27 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1win h GLU 28 N 0.00 -0.23 0.00 0.00 4.11 -1.87 -3.46 114.58 113.13 1win h GLU 28 Ca 0.08 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1win h GLU 28 Cb 0.19 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1win h GLU 28 CO -0.45 -0.15 0.00 0.41 0.07 0.00 0.00 179.01 178.89 1win n GLY 29 N -1.28 0.00 3.09 1.06 0.00 0.85 -5.15 105.19 103.77 1win n GLY 29 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.03 -0.14 1.61 1.01 -1.24 -4.71 120.40 118.96 1win s VAL 30 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 1win s VAL 30 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1win s VAL 30 CO 0.00 0.35 1.53 0.00 0.00 0.00 0.00 175.10 176.98 1win s ALA 31 N 1.26 3.52 0.29 5.51 0.00 -1.26 0.47 121.76 131.55 1win s ALA 31 Ca 0.01 0.65 0.11 0.00 0.00 0.00 0.00 51.96 52.73 1win s ALA 31 Cb -0.15 -3.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 1win s ALA 31 CO -0.10 -1.52 -0.15 -0.51 0.00 0.00 0.00 175.76 173.48 1win s LEU 32 N 4.26 2.71 -0.33 0.00 2.01 -0.88 -4.21 118.68 122.24 1win s LEU 32 Ca 0.68 -0.99 0.04 0.00 0.01 0.00 0.00 54.13 53.86 1win s LEU 32 Cb -0.27 -1.18 0.09 0.00 0.01 0.00 0.00 46.19 44.84 1win s LEU 32 CO 0.25 -0.01 0.03 -0.89 1.01 0.00 0.00 176.35 176.75 1win s THR 33 N -2.50 2.30 -0.22 5.49 2.01 0.14 -3.42 115.64 119.45 1win s THR 33 Ca 0.31 -2.22 -0.06 0.00 0.31 0.00 0.00 61.69 60.03 1win s THR 33 Cb -0.04 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1win s THR 33 CO 0.16 -0.50 0.01 -0.69 -0.69 0.00 0.00 174.62 172.91 1win s VAL 34 N 0.94 3.98 -0.03 3.82 1.01 -1.16 -0.78 120.40 128.19 1win s VAL 34 Ca 0.07 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 1win s VAL 34 Cb -0.19 -2.82 -0.21 0.00 0.00 0.00 0.00 36.38 33.16 1win s VAL 34 CO -0.07 0.40 1.16 0.74 0.00 0.00 0.00 175.10 177.33 1win h THR 35 N 5.47 1.47 -3.80 3.92 2.02 -1.16 -2.07 112.91 118.76 1win h THR 35 Ca -0.37 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1win h THR 35 Cb 1.17 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1win h THR 35 CO 0.60 0.43 -0.97 0.61 0.37 0.00 0.00 175.52 176.57 1win n GLY 36 N 0.64 -4.32 3.24 2.16 0.00 -1.26 -2.52 105.19 103.14 1win n GLY 36 Ca -0.08 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.72 -0.37 0.07 1.61 1.01 0.11 -3.97 120.40 114.12 1win s VAL 37 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1win s VAL 37 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1win s VAL 37 CO 0.00 0.06 0.05 0.00 0.00 0.00 0.00 175.10 175.21 1win s ALA 38 N 2.09 0.30 0.07 5.51 0.00 -1.14 -0.54 121.76 128.06 1win s ALA 38 Ca -0.05 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.94 1win s ALA 38 Cb -0.11 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1win s ALA 38 CO -0.12 -0.42 -0.14 -1.14 0.00 0.00 0.00 175.76 173.93 1win s GLN 39 N -3.91 2.09 0.08 0.00 2.00 -1.12 -2.44 119.66 116.36 1win s GLN 39 Ca 0.08 -1.01 -0.08 0.00 -2.00 0.00 0.00 55.36 52.35 1win s GLN 39 Cb 0.07 -2.25 -0.00 0.00 0.80 0.00 0.00 33.01 31.63 1win s GLN 39 CO -0.09 0.52 0.18 0.54 -0.50 0.00 0.00 175.29 175.94 1win s VAL 40 N -1.08 0.14 0.05 1.34 0.11 -0.61 -2.28 120.40 118.07 1win s VAL 40 Ca 0.18 -1.16 -0.13 0.00 -2.93 0.00 0.00 61.98 57.93 1win s VAL 40 Cb -0.11 -1.29 0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1win s VAL 40 CO 0.09 -0.64 0.29 -1.59 -3.33 0.00 0.00 175.10 169.92 1win s LYS 41 N -3.69 0.80 -0.30 1.54 -2.85 -1.19 0.12 119.74 114.18 1win s LYS 41 Ca 0.04 -0.55 -0.29 0.00 -1.00 0.00 0.00 55.97 54.17 1win s LYS 41 Cb 0.04 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1win s LYS 41 CO -0.10 -0.26 1.08 0.42 0.10 0.00 0.00 175.35 176.59 1win s ILE 42 N -2.65 4.54 1.00 3.79 -1.09 -1.24 -3.52 121.20 122.03 1win s ILE 42 Ca -0.04 1.79 -0.20 0.00 -2.23 0.00 0.00 60.65 59.97 1win s ILE 42 Cb -0.01 -4.38 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 1win s ILE 42 CO -0.04 -0.40 -0.53 0.23 -1.23 0.00 0.00 174.94 172.96 1win n MET 43 N 6.75 -0.99 -4.19 2.79 2.81 -1.24 -4.93 117.12 118.11 1win n MET 43 Ca 0.12 -0.29 -0.23 0.00 -1.81 0.00 0.00 57.70 55.50 1win n MET 43 Cb 0.47 -1.33 -0.07 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.10 3.29 -0.42 2.03 2.01 -1.26 -5.07 115.64 114.13 1win s THR 44 Ca 0.40 -1.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.44 1win s THR 44 Cb -0.01 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.57 1win s THR 44 CO 0.54 -0.28 0.50 -1.83 -0.69 0.00 0.00 174.62 172.86 1win s GLU 45 N -3.77 3.20 -0.04 4.92 -1.05 -1.26 -4.85 118.70 115.84 1win s GLU 45 Ca 0.35 -0.60 0.01 0.00 -0.15 0.00 0.00 54.97 54.58 1win s GLU 45 Cb -0.04 -3.95 -0.03 0.00 -0.44 0.00 0.00 34.13 29.67 1win s GLU 45 CO 0.22 -0.87 -0.03 1.63 0.95 0.00 0.00 175.26 177.16 1win n LYS 46 N 5.79 0.91 0.05 -4.83 4.76 -1.26 -4.96 118.16 118.62 1win n LYS 46 Ca -0.06 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1win n LYS 46 Cb 0.48 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 1win n LYS 46 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1win n GLU 47 N -2.51 0.00 -3.56 1.97 4.07 -1.26 -5.08 120.64 114.27 1win n GLU 47 Ca -0.07 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.90 1win n GLU 47 Cb 0.59 -0.24 -0.11 0.00 -0.06 0.00 0.00 31.44 31.62 1win n GLU 47 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1win s LEU 48 N -6.29 -0.43 -0.07 4.31 1.43 -1.26 -5.00 118.68 111.37 1win s LEU 48 Ca 0.00 0.46 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1win s LEU 48 Cb 0.00 0.89 0.16 0.00 0.03 0.00 0.00 46.19 47.27 1win s LEU 48 CO 0.00 -0.27 1.09 -0.11 0.23 0.00 0.00 176.35 177.29 1win n LEU 49 N 5.36 2.23 0.00 1.79 -0.00 -1.26 -4.66 117.00 120.46 1win n LEU 49 Ca -0.06 -2.57 0.04 0.00 -0.00 0.00 0.00 56.01 53.42 1win n LEU 49 Cb 0.50 -0.23 0.24 0.00 -0.00 0.00 0.00 43.42 43.92 1win n LEU 49 CO 0.04 0.61 0.56 0.00 -0.00 0.00 0.00 177.39 178.60 1win n ALA 50 N -0.96 1.65 0.09 1.96 0.00 -1.26 -1.67 120.51 120.33 1win n ALA 50 Ca 0.09 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 1win n ALA 50 Cb 0.46 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 1win n ALA 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1win h VAL 51 N 0.00 1.14 -0.29 0.00 3.04 -1.90 -3.35 116.25 114.89 1win h VAL 51 Ca 0.00 -2.69 0.00 0.00 -1.01 0.00 0.00 66.70 63.00 1win h VAL 51 Cb 0.06 2.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 1win h VAL 51 CO 0.00 0.84 0.00 0.00 -1.01 0.00 0.00 177.57 177.40 1win n ALA 52 N -2.74 2.69 0.75 3.17 0.00 -0.88 -4.16 120.51 119.33 1win n ALA 52 Ca -0.19 -1.88 0.11 0.00 0.00 0.00 0.00 53.44 51.48 1win n ALA 52 Cb 1.07 -0.61 0.05 0.00 0.00 0.00 0.00 19.45 19.96 1win n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win n GLU 54 N -1.77 2.83 0.09 0.00 -0.00 -1.26 -4.19 120.64 116.34 1win n GLU 54 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.28 1win n GLU 54 Cb 0.39 -0.74 0.42 0.00 -0.00 0.00 0.00 31.44 31.51 1win n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1win n GLN 55 N -1.12 0.12 -0.00 3.44 10.64 -1.26 -3.51 117.38 125.69 1win n GLN 55 Ca 0.00 0.44 -0.01 0.00 -1.83 0.00 0.00 57.00 55.60 1win n GLN 55 Cb 0.00 -1.77 -0.00 0.00 -0.86 0.00 0.00 30.24 27.61 1win n GLN 55 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1win n PHE 56 N -2.00 0.00 -1.22 2.61 3.72 -1.26 -4.97 117.46 114.34 1win n PHE 56 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1win n PHE 56 Cb 0.15 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 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 -2.72 -1.07 0.00 4.37 4.77 -1.23 -0.44 117.00 120.68 1win n LEU 57 Ca -0.01 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1win n LEU 57 Cb 0.51 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1win n LEU 57 CO 0.00 -2.59 0.00 0.61 -1.33 0.00 0.00 177.39 174.08 1win n GLY 58 N 1.74 1.86 2.20 -0.72 0.00 -1.26 -4.96 105.19 104.04 1win n GLY 58 Ca 0.16 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1win n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1win n LYS 59 N 0.00 -1.75 -4.32 1.61 5.02 0.42 -5.06 118.16 114.08 1win n LYS 59 Ca 0.00 -1.13 -0.32 0.00 -2.02 0.00 0.00 58.31 54.84 1win n LYS 59 Cb 0.00 -0.93 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 1win n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1win s ASN 60 N -3.53 4.91 0.53 4.39 -0.87 -1.26 -4.99 114.94 114.12 1win s ASN 60 Ca 0.44 -0.09 0.41 0.00 -1.57 0.00 0.00 52.86 52.05 1win s ASN 60 Cb -0.03 -1.21 1.60 0.00 -0.02 0.00 0.00 41.25 41.59 1win s ASN 60 CO 0.33 0.26 1.69 -0.37 -2.57 0.00 0.00 177.10 176.44 1win h VAL 61 N 3.51 0.21 -0.14 1.60 -1.51 -1.95 0.96 116.25 118.94 1win h VAL 61 Ca -0.49 -0.01 -0.22 0.00 -1.23 0.00 0.00 66.70 64.75 1win h VAL 61 Cb 1.17 0.18 0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1win h VAL 61 CO 0.56 0.00 -0.79 0.06 -1.23 0.00 0.00 177.57 176.17 1win h GLN 62 N 0.03 0.77 -0.25 5.19 3.07 -2.02 -3.26 115.11 118.64 1win h GLN 62 Ca 0.75 -0.64 0.02 0.00 0.09 0.00 0.00 58.65 58.88 1win h GLN 62 Cb 2.92 0.14 -0.02 0.00 0.08 0.00 0.00 27.48 30.59 1win h GLN 62 CO -0.06 1.24 0.09 0.22 0.09 0.00 0.00 178.83 180.41 1win h ASP 63 N 0.52 0.12 -0.00 0.06 1.82 0.57 -3.05 116.42 116.46 1win h ASP 63 Ca -0.06 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1win h ASP 63 Cb 1.42 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.44 1win h ASP 63 CO 0.16 0.10 -0.00 0.40 -1.61 0.00 0.00 179.24 178.29 1win h ILE 64 N 0.21 0.00 -0.74 2.25 5.03 -1.52 -1.12 117.51 121.63 1win h ILE 64 Ca 0.11 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.09 1win h ILE 64 Cb 0.06 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 33.72 1win h ILE 64 CO -0.10 0.00 0.16 0.29 -0.68 0.00 0.00 178.15 177.82 1win n LYS 65 N -2.57 -0.05 -0.13 2.37 4.01 -1.21 0.23 118.16 120.81 1win n LYS 65 Ca -0.00 1.08 -0.09 0.00 -0.51 0.00 0.00 58.31 58.78 1win n LYS 65 Cb 0.00 -1.79 -0.01 0.00 -0.51 0.00 0.00 35.03 32.72 1win n LYS 65 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1win h ASN 66 N 0.00 0.53 0.27 4.39 2.35 -1.18 0.43 115.58 122.36 1win h ASN 66 Ca 0.51 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1win h ASN 66 Cb 1.20 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.40 1win h ASN 66 CO -0.65 0.55 -0.32 0.58 -1.65 0.00 0.00 177.43 175.94 1win h VAL 67 N 0.47 0.34 -0.17 2.81 2.07 0.41 0.15 116.25 122.33 1win h VAL 67 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1win h VAL 67 Cb 0.19 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1win h VAL 67 CO -0.01 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.26 1win h VAL 68 N -0.63 1.08 -0.66 2.57 2.07 -1.32 -2.43 116.25 116.94 1win h VAL 68 Ca -0.01 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1win h VAL 68 Cb 0.60 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1win h VAL 68 CO -0.09 0.08 0.44 0.25 0.02 0.00 0.00 177.57 178.26 1win h LEU 69 N 0.19 0.51 0.01 2.57 5.85 -0.73 -2.18 115.31 121.53 1win h LEU 69 Ca 0.06 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1win h LEU 69 Cb 0.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1win h LEU 69 CO -0.01 0.32 -0.01 1.56 -0.34 0.00 0.00 178.44 179.96 1win h GLN 70 N 0.57 -0.02 -0.66 1.25 1.08 -0.21 0.10 115.11 117.24 1win h GLN 70 Ca 0.30 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.64 1win h GLN 70 Cb 0.42 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.74 1win h GLN 70 CO -0.10 0.06 -0.04 1.15 -0.95 0.00 0.00 178.83 178.96 1win h THR 71 N -0.09 0.42 -0.21 -0.54 2.02 -1.14 0.47 112.91 113.83 1win h THR 71 Ca -0.00 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 1win h THR 71 Cb 0.09 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1win h THR 71 CO 0.00 0.02 -0.59 -0.07 0.37 0.00 0.00 175.52 175.25 1win h LEU 72 N 0.08 0.79 0.23 2.58 3.38 -1.43 -3.21 115.31 117.74 1win h LEU 72 Ca 0.34 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1win h LEU 72 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1win h LEU 72 CO -0.59 1.20 -0.11 -0.33 0.09 0.00 0.00 178.44 178.69 1win h GLU 73 N 0.52 -0.30 -0.79 1.13 5.08 0.11 -1.66 114.58 118.67 1win h GLU 73 Ca 0.00 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1win h GLU 73 Cb 1.17 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 1win h GLU 73 CO 0.12 -0.20 -0.21 0.41 -1.00 0.00 0.00 179.01 178.13 1win n GLY 74 N -0.59 -1.35 0.17 -3.84 0.00 0.15 0.12 105.19 99.84 1win n GLY 74 Ca -0.04 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.73 1win n GLY 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1win h HIS 75 N 0.00 0.52 -0.41 1.61 3.86 -1.57 -3.15 115.15 116.01 1win h HIS 75 Ca 0.37 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.58 1win h HIS 75 Cb 0.57 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 1win h HIS 75 CO -0.61 0.47 -0.24 -0.11 0.86 0.00 0.00 177.93 178.30 1win n LEU 76 N -4.71 -0.43 -0.09 2.43 7.94 0.32 -0.21 117.00 122.26 1win n LEU 76 Ca -0.01 1.16 -0.07 0.00 -1.11 0.00 0.00 56.01 55.98 1win n LEU 76 Cb 0.13 -0.31 -0.00 0.00 0.53 0.00 0.00 43.42 43.77 1win n LEU 76 CO 0.36 -0.81 0.70 -0.09 -1.11 0.00 0.00 177.39 176.45 1win h ARG 77 N 0.00 -0.18 -0.96 1.96 1.12 -1.55 0.38 114.38 115.15 1win h ARG 77 Ca 0.06 0.01 0.22 0.00 -1.11 0.00 0.00 59.98 59.17 1win h ARG 77 Cb 0.17 0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 30.09 1win h ARG 77 CO -0.38 -0.12 0.62 0.77 -3.11 0.00 0.00 179.97 177.75 1win h SER 78 N -0.19 0.47 0.31 -3.80 0.02 -0.65 0.31 113.55 110.03 1win h SER 78 Ca 0.17 0.06 -0.31 0.00 -0.84 0.00 0.00 61.79 60.87 1win h SER 78 Cb 0.45 -0.02 0.03 0.00 0.14 0.00 0.00 62.40 63.00 1win h SER 78 CO -0.45 0.16 -1.36 0.40 -1.14 0.00 0.00 176.83 174.44 1win h ILE 79 N 0.45 1.33 -0.14 3.27 1.08 0.18 -3.18 117.51 120.51 1win h ILE 79 Ca 0.52 -2.71 -0.08 0.00 -0.39 0.00 0.00 64.86 62.20 1win h ILE 79 Cb 1.23 2.92 -0.01 0.00 -3.07 0.00 0.00 36.82 37.89 1win h ILE 79 CO -0.23 0.81 -0.26 0.25 -0.69 0.00 0.00 178.15 178.03 1win h LEU 80 N 0.17 0.24 0.48 1.44 6.46 0.16 -2.60 115.31 121.65 1win h LEU 80 Ca -0.21 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.45 1win h LEU 80 Cb 2.05 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.92 1win h LEU 80 CO 0.25 0.50 -0.23 1.23 -0.62 0.00 0.00 178.44 179.57 1win h GLY 81 N 0.97 -0.68 1.29 3.75 0.00 -0.54 -3.12 103.07 104.74 1win h GLY 81 Ca 0.04 0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.71 1win h GLY 81 CO 0.04 -0.25 0.27 0.00 0.00 0.00 0.00 176.54 176.61 1win h THR 82 N -0.98 0.86 -3.09 4.70 1.03 -1.56 0.66 112.91 114.52 1win h THR 82 Ca -0.07 -0.04 -0.60 0.00 -0.01 0.00 0.00 66.41 65.70 1win h THR 82 Cb 0.59 0.74 -0.06 0.00 -1.07 0.00 0.00 68.15 68.36 1win h THR 82 CO 0.11 0.02 -0.18 -0.76 -0.01 0.00 0.00 175.52 174.70 1win s LEU 83 N -8.99 4.45 0.57 0.00 1.43 -0.98 -4.73 118.68 110.42 1win s LEU 83 Ca -0.06 0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 53.84 1win s LEU 83 Cb 0.19 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1win s LEU 83 CO 0.72 0.27 1.07 0.42 0.23 0.00 0.00 176.35 179.05 1win s THR 84 N -0.81 3.69 0.17 5.49 -4.23 -1.26 -2.96 115.64 115.73 1win s THR 84 Ca 0.24 0.87 -0.15 0.00 -1.18 0.00 0.00 61.69 61.47 1win s THR 84 Cb -0.17 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.39 1win s THR 84 CO 0.13 -0.40 1.70 1.62 -0.54 0.00 0.00 174.62 177.13 1win h VAL 85 N 0.70 0.70 -0.11 2.29 3.04 -1.92 -2.38 116.25 118.57 1win h VAL 85 Ca -0.48 -0.04 0.04 0.00 -1.01 0.00 0.00 66.70 65.21 1win h VAL 85 Cb 1.23 0.56 -0.06 0.00 -2.01 0.00 0.00 31.29 31.01 1win h VAL 85 CO 0.57 0.02 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.56 1win h GLU 86 N 0.13 -0.34 -0.79 4.17 5.08 -2.00 -1.68 114.58 119.14 1win h GLU 86 Ca 0.21 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.77 1win h GLU 86 Cb 0.29 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 1win h GLU 86 CO -0.33 -0.23 0.19 1.96 -1.00 0.00 0.00 179.01 179.61 1win h GLN 87 N -0.35 0.24 -0.14 2.33 1.08 -1.82 0.16 115.11 116.60 1win h GLN 87 Ca 0.09 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 1win h GLN 87 Cb 0.49 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 1win h GLN 87 CO -0.31 0.16 -0.25 0.82 -0.95 0.00 0.00 178.83 178.31 1win h ILE 88 N 0.25 0.41 0.58 2.54 2.04 -0.91 -2.47 117.51 119.95 1win h ILE 88 Ca 0.46 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.29 1win h ILE 88 Cb 0.84 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1win h ILE 88 CO -0.56 0.00 -0.28 1.88 0.00 0.00 0.00 178.15 179.19 1win h TYR 89 N -0.31 -0.72 -0.45 1.37 0.05 -0.89 -1.85 116.97 114.17 1win h TYR 89 Ca 0.10 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.91 1win h TYR 89 Cb 0.46 0.24 -0.05 0.00 1.01 0.00 0.00 36.73 38.39 1win h TYR 89 CO -0.35 -0.41 -0.27 1.04 -1.05 0.00 0.00 178.16 177.12 1win n GLN 90 N -5.39 -0.20 -3.72 4.88 1.13 -0.10 -3.30 117.38 110.68 1win n GLN 90 Ca -0.12 1.00 -0.28 0.00 -1.94 0.00 0.00 57.00 55.66 1win n GLN 90 Cb 0.33 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 29.08 1win n GLN 90 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1win s ASP 91 N -4.39 3.60 0.24 1.08 2.15 -0.95 -4.96 116.67 113.44 1win s ASP 91 Ca -0.05 -3.25 -0.05 0.00 0.43 0.00 0.00 52.55 49.62 1win s ASP 91 Cb 0.05 -1.16 0.41 0.00 -0.30 0.00 0.00 42.92 41.91 1win s ASP 91 CO 0.28 -0.17 1.76 0.03 -0.17 0.00 0.00 175.17 176.90 1win h ARG 92 N 5.91 0.54 -0.94 4.34 3.08 -1.32 -0.75 114.38 125.25 1win h ARG 92 Ca 0.12 -0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.32 1win h ARG 92 Cb 0.85 -0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.67 1win h ARG 92 CO 0.56 0.36 0.52 0.22 -1.07 0.00 0.00 179.97 180.56 1win h ASP 93 N 0.56 0.63 0.05 7.04 1.82 -1.92 -2.49 116.42 122.10 1win h ASP 93 Ca 0.39 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1win h ASP 93 Cb 0.50 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 1win h ASP 93 CO -0.33 0.21 -0.05 -0.61 -1.61 0.00 0.00 179.24 176.86 1win h GLN 94 N 0.66 -0.09 -0.99 0.28 5.75 -1.49 -1.96 115.11 117.27 1win h GLN 94 Ca 0.54 0.01 0.24 0.00 -0.15 0.00 0.00 58.65 59.28 1win h GLN 94 Cb 0.85 0.02 -0.19 0.00 1.07 0.00 0.00 27.48 29.23 1win h GLN 94 CO -0.40 -0.06 -0.11 0.35 -2.65 0.00 0.00 178.83 175.96 1win h PHE 95 N -0.09 -0.29 -0.95 3.99 3.57 -1.48 1.10 116.94 122.78 1win h PHE 95 Ca -0.01 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.71 1win h PHE 95 Cb 0.08 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 1win h PHE 95 CO -0.08 -0.43 0.57 0.00 -2.23 0.00 0.00 178.31 176.14 1win h ALA 96 N 1.99 1.45 -0.25 2.41 0.00 -1.20 -1.67 119.26 121.98 1win h ALA 96 Ca 0.54 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.38 1win h ALA 96 Cb 0.98 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1win h ALA 96 CO -0.97 0.11 -0.26 -0.22 0.00 0.00 0.00 179.25 177.91 1win h LYS 97 N 0.87 0.62 -1.07 0.00 3.64 0.20 -2.81 116.57 118.02 1win h LYS 97 Ca 0.49 -0.33 0.30 0.00 -1.27 0.00 0.00 60.65 59.83 1win h LYS 97 Cb 0.56 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.28 1win h LYS 97 CO -0.30 0.93 0.67 -0.07 -2.27 0.00 0.00 179.45 178.42 1win h LEU 98 N 0.34 0.47 0.09 5.20 -0.00 -0.18 0.33 115.31 121.56 1win h LEU 98 Ca 0.04 0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1win h LEU 98 Cb 0.82 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1win h LEU 98 CO 0.06 0.02 -0.04 0.58 -0.00 0.00 0.00 178.44 179.06 1win h VAL 99 N 0.37 0.00 -0.46 1.22 2.07 -1.41 -3.08 116.25 114.96 1win h VAL 99 Ca 0.66 -0.40 0.13 0.00 0.82 0.00 0.00 66.70 67.91 1win h VAL 99 Cb 1.65 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1win h VAL 99 CO -0.39 0.00 0.69 0.08 0.02 0.00 0.00 177.57 177.96 1win h ARG 100 N -0.52 0.00 -0.05 1.57 0.11 -1.20 0.79 114.38 115.09 1win h ARG 100 Ca -0.01 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.84 1win h ARG 100 Cb 0.09 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.18 1win h ARG 100 CO 0.02 0.00 -0.89 0.93 0.10 0.00 0.00 179.97 180.13 1win h GLU 101 N 0.00 0.54 0.00 0.08 4.39 -0.42 0.13 114.58 119.30 1win h GLU 101 Ca 0.22 -0.52 -0.16 0.00 0.34 0.00 0.00 59.36 59.24 1win h GLU 101 Cb 1.58 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.34 1win h GLU 101 CO -0.00 1.15 -1.06 -0.24 -1.16 0.00 0.00 179.01 177.70 1win h VAL 102 N 0.33 0.78 0.07 3.13 3.04 0.54 -3.37 116.25 120.77 1win h VAL 102 Ca -0.07 -2.27 -0.20 0.00 -1.01 0.00 0.00 66.70 63.15 1win h VAL 102 Cb 1.51 2.28 -0.00 0.00 -2.01 0.00 0.00 31.29 33.07 1win h VAL 102 CO 0.16 0.45 -0.99 0.00 -1.01 0.00 0.00 177.57 176.18 1win h ALA 103 N 1.38 0.11 -0.64 3.17 0.00 -0.77 -3.26 119.26 119.24 1win h ALA 103 Ca -0.10 -0.93 0.06 0.00 0.00 0.00 0.00 54.91 53.94 1win h ALA 103 Cb 1.56 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 19.64 1win h ALA 103 CO 0.06 0.56 -0.38 0.00 0.00 0.00 0.00 179.25 179.49 1win n ALA 104 N -2.93 -0.41 0.25 0.00 0.00 0.44 0.23 120.51 118.10 1win n ALA 104 Ca -0.21 0.55 0.14 0.00 0.00 0.00 0.00 53.44 53.91 1win n ALA 104 Cb 0.76 -0.07 0.61 0.00 0.00 0.00 0.00 19.45 20.75 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 0.27 0.00 0.13 -1.74 -3.05 132.00 127.61 1win h PRO 105 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1win h PRO 105 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1win h PRO 105 CO -0.60 0.11 -0.13 0.22 -0.23 0.00 0.00 178.00 177.37 1win h ASP 106 N 0.00 -0.31 -0.08 1.44 1.82 0.29 -3.24 116.42 116.34 1win h ASP 106 Ca -0.00 -0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1win h ASP 106 Cb 0.57 0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1win h ASP 106 CO 0.01 0.15 0.29 -0.37 -1.61 0.00 0.00 179.24 177.72 1win h VAL 107 N -1.09 0.11 -0.71 2.25 -1.51 -0.32 -0.87 116.25 114.11 1win h VAL 107 Ca -0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.39 1win h VAL 107 Cb 0.31 0.73 -0.03 0.00 -2.13 0.00 0.00 31.29 30.17 1win h VAL 107 CO 0.06 0.00 0.26 1.23 -1.23 0.00 0.00 177.57 177.89 1win h GLY 108 N 0.00 1.16 0.90 5.19 0.00 -1.48 0.64 103.07 109.47 1win h GLY 108 Ca 0.04 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.75 1win h GLY 108 CO -0.00 0.61 0.66 3.21 0.00 0.00 0.00 176.54 181.02 1win h ARG 109 N 1.03 1.24 -0.13 4.80 3.08 -1.25 -2.65 114.38 120.51 1win h ARG 109 Ca 0.23 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 1win h ARG 109 Cb 0.25 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1win h ARG 109 CO -0.01 0.82 -0.44 0.52 -1.07 0.00 0.00 179.97 179.79 1win h MET 110 N 1.28 0.52 0.00 0.04 2.86 -1.59 -3.48 114.93 114.57 1win h MET 110 Ca 0.40 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1win h MET 110 Cb -0.01 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1win h MET 110 CO -0.12 1.01 0.00 0.41 1.06 0.00 0.00 176.91 179.27 1win n GLY 111 N 0.60 1.19 3.28 8.32 0.00 -0.44 -4.06 105.19 114.08 1win n GLY 111 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.19 1.88 -0.07 -0.61 -1.09 0.09 -3.63 121.20 116.58 1win s ILE 112 Ca 0.00 -1.09 0.03 0.00 -2.23 0.00 0.00 60.65 57.35 1win s ILE 112 Cb 0.00 -1.58 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 1win s ILE 112 CO 0.00 0.46 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.32 1win s GLU 113 N -0.74 2.74 0.09 2.79 2.12 -1.23 -3.17 118.70 121.30 1win s GLU 113 Ca 0.09 -0.72 -0.14 0.00 0.36 0.00 0.00 54.97 54.57 1win s GLU 113 Cb -0.09 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.81 1win s GLU 113 CO -0.00 0.49 0.49 0.96 -0.54 0.00 0.00 175.26 176.66 1win s ILE 114 N -0.39 4.93 -0.20 -3.70 -5.25 -1.26 -3.20 121.20 112.14 1win s ILE 114 Ca 0.04 0.78 -0.19 0.00 -0.99 0.00 0.00 60.65 60.29 1win s ILE 114 Cb -0.12 -3.73 -0.16 0.00 2.95 0.00 0.00 42.46 41.40 1win s ILE 114 CO 0.02 0.35 0.14 -0.07 -1.79 0.00 0.00 174.94 173.60 1win h LEU 115 N 3.92 0.00 -7.81 0.37 -0.00 -1.83 -3.50 115.31 106.46 1win h LEU 115 Ca -0.49 -0.42 0.15 0.00 -0.00 0.00 0.00 57.88 57.12 1win h LEU 115 Cb 1.20 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.81 1win h LEU 115 CO 0.65 1.35 0.49 -0.55 -0.00 0.00 0.00 178.44 180.38 1win s SER 116 N -6.65 -0.10 -0.08 -0.43 0.15 -1.25 -5.02 113.70 100.33 1win s SER 116 Ca -0.26 -0.58 -0.05 0.00 0.70 0.00 0.00 55.95 55.76 1win s SER 116 Cb 0.05 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1win s SER 116 CO 0.52 -1.03 0.19 0.12 1.20 0.00 0.00 173.24 174.24 1win s PHE 117 N -2.82 -0.22 0.26 3.44 2.19 -1.26 -2.79 117.98 116.77 1win s PHE 117 Ca 0.16 0.56 -0.10 0.00 0.33 0.00 0.00 56.93 57.88 1win s PHE 117 Cb -0.02 0.02 -0.01 0.00 -1.31 0.00 0.00 43.02 41.70 1win s PHE 117 CO 0.04 -0.15 0.45 0.99 1.83 0.00 0.00 175.22 178.38 1win s THR 118 N 0.72 0.00 -0.09 0.12 2.01 0.30 -4.71 115.64 114.00 1win s THR 118 Ca -0.05 -1.49 -0.04 0.00 0.31 0.00 0.00 61.69 60.42 1win s THR 118 Cb -0.07 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1win s THR 118 CO -0.04 0.00 0.08 -0.63 -0.69 0.00 0.00 174.62 173.34 1win s ILE 119 N -3.86 4.90 -0.23 1.82 -1.09 -1.26 0.04 121.20 121.52 1win s ILE 119 Ca 0.25 -0.07 -0.16 0.00 -2.23 0.00 0.00 60.65 58.44 1win s ILE 119 Cb 0.00 -3.13 -0.11 0.00 -1.58 0.00 0.00 42.46 37.64 1win s ILE 119 CO 0.11 0.57 -0.23 1.17 -1.23 0.00 0.00 174.94 175.33 1win n LYS 120 N 1.92 0.56 -3.64 2.79 4.81 -1.26 -4.78 118.16 118.55 1win n LYS 120 Ca -0.18 0.34 -0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1win n LYS 120 Cb 0.54 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 33.97 1win n LYS 120 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1win s ASP 121 N -6.82 -0.58 -0.09 3.14 1.01 -1.26 -4.96 116.67 107.11 1win s ASP 121 Ca -0.32 1.02 0.01 0.00 0.71 0.00 0.00 52.55 53.97 1win s ASP 121 Cb 0.09 1.12 0.02 0.00 1.01 0.00 0.00 42.92 45.16 1win s ASP 121 CO 0.47 -0.17 -0.11 0.68 0.21 0.00 0.00 175.17 176.25 1win s VAL 122 N 0.76 1.18 0.29 -1.27 -7.23 -1.26 -0.63 120.40 112.24 1win s VAL 122 Ca -0.03 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1win s VAL 122 Cb -0.05 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 1win s VAL 122 CO -0.10 0.38 0.18 -0.72 -0.31 0.00 0.00 175.10 174.53 1win s TYR 123 N 1.14 1.55 -0.09 2.82 1.13 0.04 -4.97 117.35 118.97 1win s TYR 123 Ca -0.05 -1.43 0.02 0.00 -1.41 0.00 0.00 57.07 54.20 1win s TYR 123 Cb -0.14 -0.78 -0.02 0.00 -1.10 0.00 0.00 41.96 39.92 1win s TYR 123 CO -0.02 -0.61 -0.14 0.34 -2.51 0.00 0.00 175.55 172.61 1win s ASP 124 N -3.33 4.03 0.20 -0.18 -1.08 -1.26 0.26 116.67 115.30 1win s ASP 124 Ca 0.37 -0.26 0.12 0.00 -0.52 0.00 0.00 52.55 52.26 1win s ASP 124 Cb 0.05 -1.25 -0.05 0.00 -1.46 0.00 0.00 42.92 40.21 1win s ASP 124 CO 0.18 0.25 1.32 0.50 0.52 0.00 0.00 175.17 177.94 1win h LYS 125 N 6.05 0.00 0.00 4.34 3.11 -1.93 -3.24 116.57 124.90 1win h LYS 125 Ca -0.36 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.43 1win h LYS 125 Cb 1.18 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1win h LYS 125 CO 0.53 0.65 -0.45 -0.39 -2.81 0.00 0.00 179.45 176.99 1win h VAL 126 N 0.00 0.38 -4.31 2.00 -1.51 -1.95 -3.48 116.25 107.38 1win h VAL 126 Ca -0.03 -1.56 -0.18 0.00 -1.23 0.00 0.00 66.70 63.70 1win h VAL 126 Cb 1.55 2.11 0.11 0.00 -2.13 0.00 0.00 31.29 32.93 1win h VAL 126 CO 0.09 0.22 -0.48 -0.67 -1.23 0.00 0.00 177.57 175.49 1win n ASP 127 N -3.08 -3.27 -0.07 4.19 2.03 -1.23 -4.99 116.55 110.13 1win n ASP 127 Ca 0.01 -0.39 -0.11 0.00 0.52 0.00 0.00 54.79 54.82 1win n ASP 127 Cb 0.64 -3.29 -0.07 0.00 -0.72 0.00 0.00 41.12 37.68 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1win h TYR 128 N -0.91 0.00 -0.56 -0.67 3.20 -1.93 -3.19 116.97 112.89 1win h TYR 128 Ca -0.36 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.58 1win h TYR 128 Cb 1.20 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 1win h TYR 128 CO 0.23 0.68 0.25 -0.07 -1.64 0.00 0.00 178.16 177.61 1win h LEU 129 N -1.00 0.32 -0.21 2.82 3.38 -1.97 -2.35 115.31 116.29 1win h LEU 129 Ca -0.09 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1win h LEU 129 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1win h LEU 129 CO -0.05 0.21 -0.00 -1.28 0.09 0.00 0.00 178.44 177.40 1win h SER 130 N 0.47 -0.09 -0.85 -0.43 0.87 -1.93 -2.21 113.55 109.38 1win h SER 130 Ca 0.27 0.05 0.22 0.00 -1.23 0.00 0.00 61.79 61.09 1win h SER 130 Cb 0.25 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.16 1win h SER 130 CO -0.23 -0.02 0.24 -1.28 -0.53 0.00 0.00 176.83 175.02 1win h SER 131 N 0.07 0.04 0.03 6.23 0.87 -1.41 0.81 113.55 120.18 1win h SER 131 Ca 0.10 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1win h SER 131 Cb 0.13 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1win h SER 131 CO -0.17 -0.11 -0.06 -0.07 -0.53 0.00 0.00 176.83 175.89 1win h LEU 132 N 0.24 0.08 -5.60 2.23 3.38 -1.24 -3.02 115.31 111.39 1win h LEU 132 Ca 0.52 -0.01 -0.73 0.00 0.09 0.00 0.00 57.88 57.76 1win h LEU 132 Cb 1.02 -0.02 -0.32 0.00 0.09 0.00 0.00 40.66 41.43 1win h LEU 132 CO -0.61 0.16 0.47 0.61 0.09 0.00 0.00 178.44 179.15 1win n GLY 133 N -1.25 5.89 3.28 0.83 0.00 0.28 -4.96 105.19 109.26 1win n GLY 133 Ca -0.02 -2.63 -0.41 0.00 0.00 0.00 0.00 46.02 42.96 1win n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1win s LYS 134 N -4.00 2.65 -0.09 1.61 -0.14 -1.14 -4.94 119.74 113.69 1win s LYS 134 Ca 0.45 -1.52 0.05 0.00 -1.36 0.00 0.00 55.97 53.59 1win s LYS 134 Cb 0.28 -3.89 -0.00 0.00 -1.68 0.00 0.00 37.83 32.54 1win s LYS 134 CO -0.20 -1.03 -0.24 0.95 -0.76 0.00 0.00 175.35 174.07 1win s THR 135 N 1.45 2.03 -0.13 2.17 -4.23 -1.26 -5.00 115.64 110.67 1win s THR 135 Ca 0.04 -1.02 0.19 0.00 -1.18 0.00 0.00 61.69 59.72 1win s THR 135 Cb -0.24 -1.74 -0.22 0.00 1.34 0.00 0.00 72.50 71.64 1win s THR 135 CO 0.02 0.56 0.50 0.00 -0.54 0.00 0.00 174.62 175.16 1win n GLN 136 N 3.35 0.65 -3.60 3.99 10.64 -1.26 -4.81 117.38 126.34 1win n GLN 136 Ca -0.19 0.04 -0.40 0.00 -1.83 0.00 0.00 57.00 54.62 1win n GLN 136 Cb 0.53 -1.64 -0.11 0.00 -0.86 0.00 0.00 30.24 28.15 1win n GLN 136 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1win s THR 137 N -2.95 4.53 0.07 -0.39 -4.23 -1.26 -4.97 115.64 106.43 1win s THR 137 Ca -0.06 -0.90 -0.25 0.00 -1.18 0.00 0.00 61.69 59.29 1win s THR 137 Cb 0.09 -3.55 -0.16 0.00 1.34 0.00 0.00 72.50 70.22 1win s THR 137 CO 0.84 -0.25 1.62 0.77 -0.54 0.00 0.00 174.62 177.06 1win h SER 138 N 8.43 -0.17 -2.11 3.99 4.64 -1.99 -3.49 113.55 122.85 1win h SER 138 Ca -0.25 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1win h SER 138 Cb 1.10 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1win h SER 138 CO 0.67 -0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1win n GLY 139 N -0.93 0.04 0.00 -0.77 0.00 -1.26 -4.88 105.19 97.39 1win n GLY 139 Ca -0.09 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.38 1win n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1win n PRO 140 N 0.00 0.49 -1.68 1.61 -0.04 -1.26 -4.81 135.00 129.31 1win n PRO 140 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 1win n PRO 140 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1win n PRO 140 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1win n SER 141 N -0.94 3.87 0.25 3.54 3.41 -1.26 -4.90 113.62 117.59 1win n SER 141 Ca 0.10 0.98 -0.16 0.00 -0.26 0.00 0.00 58.87 59.54 1win n SER 141 Cb 0.05 -1.50 -0.08 0.00 -0.26 0.00 0.00 64.21 62.42 1win n SER 141 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1win h SER 142 N 8.67 -0.79 0.00 4.04 0.87 -2.04 -3.51 113.55 120.79 1win h SER 142 Ca -0.47 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1win h SER 142 Cb 1.24 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1win h SER 142 CO 0.94 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.39