#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 -0.44 -0.61 1.61 0.15 -1.26 -5.12 113.70 108.03 1win s SER 2 Ca 0.00 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1win s SER 2 Cb 0.00 0.60 0.15 0.00 -1.71 0.00 0.00 66.02 65.06 1win s SER 2 CO 0.00 -1.02 0.40 -0.94 1.20 0.00 0.00 173.24 172.88 1win s SER 3 N -2.80 4.89 -0.84 5.45 1.04 -1.26 -4.86 113.70 115.32 1win s SER 3 Ca 0.04 -3.07 -0.21 0.00 0.48 0.00 0.00 55.95 53.19 1win s SER 3 Cb -0.01 -1.76 0.03 0.00 0.10 0.00 0.00 66.02 64.38 1win s SER 3 CO -0.08 -0.28 0.49 0.61 0.98 0.00 0.00 173.24 174.96 1win n GLY 4 N 3.12 -0.69 3.44 7.32 0.00 -1.26 -4.93 105.19 112.20 1win n GLY 4 Ca 0.09 0.29 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.67 -0.52 -0.11 1.61 1.04 -1.26 -5.16 113.70 105.63 1win s SER 5 Ca 0.29 0.52 0.03 0.00 0.48 0.00 0.00 55.95 57.28 1win s SER 5 Cb -0.16 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1win s SER 5 CO 0.71 -0.57 -0.22 -0.55 0.98 0.00 0.00 173.24 173.59 1win s SER 6 N -1.27 3.00 -0.29 7.02 0.15 -1.26 -5.01 113.70 116.04 1win s SER 6 Ca -0.11 -0.56 -0.20 0.00 0.70 0.00 0.00 55.95 55.78 1win s SER 6 Cb -0.01 -1.38 0.14 0.00 -1.71 0.00 0.00 66.02 63.06 1win s SER 6 CO 0.08 0.12 1.04 -0.83 1.20 0.00 0.00 173.24 174.85 1win s GLY 7 N 0.55 -0.00 -0.31 9.45 0.00 -1.26 -5.05 107.32 110.70 1win s GLY 7 Ca -0.14 3.03 0.12 0.00 0.00 0.00 0.00 44.72 47.72 1win s GLY 7 CO 0.04 2.27 1.14 0.61 0.00 0.00 0.00 173.10 177.16 1win n GLN 8 N 2.97 2.91 -3.21 2.90 10.64 -1.26 -4.77 117.38 127.56 1win n GLN 8 Ca -0.16 -3.98 -0.32 0.00 -1.83 0.00 0.00 57.00 50.71 1win n GLN 8 Cb 0.57 -2.02 -0.06 0.00 -0.86 0.00 0.00 30.24 27.87 1win n GLN 8 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1win s ARG 9 N -3.61 3.93 0.48 2.61 3.52 -1.26 -4.14 118.95 120.48 1win s ARG 9 Ca 0.42 0.54 -0.23 0.00 -0.13 0.00 0.00 55.73 56.33 1win s ARG 9 Cb 0.39 -2.49 -0.08 0.00 -1.56 0.00 0.00 34.95 31.21 1win s ARG 9 CO -0.02 0.19 1.26 1.51 -0.81 0.00 0.00 175.30 177.43 1win n ILE 10 N -0.36 3.09 -4.60 4.11 3.06 -1.26 -4.67 119.36 118.72 1win n ILE 10 Ca 0.03 -0.50 -0.33 0.00 -2.50 0.00 0.00 62.75 59.45 1win n ILE 10 Cb 0.53 -1.54 -0.11 0.00 0.54 0.00 0.00 39.64 39.05 1win n ILE 10 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1win s SER 11 N -0.74 4.48 -0.03 9.51 0.15 -1.26 -5.01 113.70 120.80 1win s SER 11 Ca 0.66 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 57.21 1win s SER 11 Cb -0.47 -1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.76 1win s SER 11 CO 0.54 0.32 0.01 0.00 1.20 0.00 0.00 173.24 175.31 1win n LEU 12 N 1.92 0.03 -4.59 3.45 -0.00 -1.26 -4.61 117.00 111.94 1win n LEU 12 Ca -0.17 -0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.46 1win n LEU 12 Cb 0.53 0.07 0.05 0.00 -0.00 0.00 0.00 43.42 44.07 1win n LEU 12 CO 0.28 0.08 0.46 -0.62 -0.00 0.00 0.00 177.39 177.59 1win n GLU 13 N -2.12 0.84 -1.68 1.47 -0.58 -1.26 -3.73 120.64 113.59 1win n GLU 13 Ca -0.05 0.33 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 1win n GLU 13 Cb 0.60 -2.07 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 1win n GLU 13 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1win s ILE 14 N -1.54 2.99 -0.22 -3.67 1.01 -1.26 -4.51 121.20 114.00 1win s ILE 14 Ca 0.74 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 61.30 1win s ILE 14 Cb -0.43 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1win s ILE 14 CO 0.49 -0.00 0.20 0.00 0.00 0.00 0.00 174.94 175.63 1win s MET 15 N 4.36 4.13 -0.37 2.79 0.23 0.15 -4.95 119.30 125.64 1win s MET 15 Ca 0.88 -0.15 -0.29 0.00 -1.03 0.00 0.00 55.69 55.10 1win s MET 15 Cb -0.43 -3.51 0.02 0.00 -1.53 0.00 0.00 34.83 29.39 1win s MET 15 CO 0.41 0.11 1.08 0.99 -2.03 0.00 0.00 175.02 175.58 1win s THR 16 N 0.91 4.42 -0.23 3.16 2.01 -1.26 -2.55 115.64 122.10 1win s THR 16 Ca 0.10 1.54 0.01 0.00 0.31 0.00 0.00 61.69 63.65 1win s THR 16 Cb -0.13 -4.47 0.06 0.00 0.01 0.00 0.00 72.50 67.97 1win s THR 16 CO 0.04 -0.64 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.49 1win s LEU 17 N 3.88 2.63 -0.59 4.42 1.43 -1.16 -5.02 118.68 124.28 1win s LEU 17 Ca 0.46 -1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.29 1win s LEU 17 Cb -0.11 -1.24 0.15 0.00 0.03 0.00 0.00 46.19 45.02 1win s LEU 17 CO 0.21 -0.21 0.50 0.00 0.23 0.00 0.00 176.35 177.08 1win s GLN 18 N 1.35 2.92 -0.22 1.70 0.00 -1.26 -3.22 119.66 120.92 1win s GLN 18 Ca -0.05 -1.99 -0.29 0.00 -0.00 0.00 0.00 55.36 53.03 1win s GLN 18 Cb -0.19 -4.15 -0.03 0.00 0.00 0.00 0.00 33.01 28.65 1win s GLN 18 CO -0.06 -1.26 1.61 -1.25 0.00 0.00 0.00 175.29 174.33 1win s PRO 19 N 1.02 3.79 0.22 9.60 0.04 -1.22 -4.85 135.00 143.60 1win s PRO 19 Ca 0.09 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.84 1win s PRO 19 Cb -0.23 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1win s PRO 19 CO -0.02 -1.30 0.20 1.03 0.04 0.00 0.00 177.00 176.95 1win s ARG 20 N 4.69 2.99 -0.22 4.56 0.52 -0.74 -3.77 118.95 126.98 1win s ARG 20 Ca 0.71 -0.96 -0.04 0.00 -0.52 0.00 0.00 55.73 54.92 1win s ARG 20 Cb -0.25 -2.63 0.10 0.00 0.52 0.00 0.00 34.95 32.69 1win s ARG 20 CO 0.29 0.43 0.21 0.00 0.02 0.00 0.00 175.30 176.25 1win s GLU 22 N 2.29 1.89 -1.29 0.00 -1.05 -1.26 -1.49 118.70 117.79 1win s GLU 22 Ca 0.07 -1.39 -0.05 0.00 -0.15 0.00 0.00 54.97 53.45 1win s GLU 22 Cb -0.16 -2.04 0.01 0.00 -0.44 0.00 0.00 34.13 31.50 1win s GLU 22 CO -0.16 0.41 1.08 -0.25 0.95 0.00 0.00 175.26 177.29 1win n ASP 23 N -0.00 -4.23 -4.12 0.83 8.00 -1.18 -4.98 116.55 110.87 1win n ASP 23 Ca -0.11 -0.59 -0.34 0.00 0.71 0.00 0.00 54.79 54.46 1win n ASP 23 Cb 0.56 -5.01 -0.14 0.00 -0.02 0.00 0.00 41.12 36.52 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 -3.35 2.80 -0.06 2.53 -7.23 -1.23 -4.92 120.40 108.94 1win s VAL 24 Ca 0.31 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 1win s VAL 24 Cb -0.14 -2.75 -0.07 0.00 0.56 0.00 0.00 36.38 33.99 1win s VAL 24 CO 0.74 -0.29 1.95 -1.61 -0.31 0.00 0.00 175.10 175.58 1win s GLU 25 N 1.15 3.88 0.81 4.82 2.02 -1.26 -2.49 118.70 127.63 1win s GLU 25 Ca -0.01 2.32 -0.14 0.00 0.02 0.00 0.00 54.97 57.17 1win s GLU 25 Cb -0.20 -4.18 0.21 0.00 0.10 0.00 0.00 34.13 30.06 1win s GLU 25 CO -0.03 -1.24 0.52 0.25 0.02 0.00 0.00 175.26 174.78 1win n THR 26 N 6.14 0.00 -0.07 3.63 -2.24 -0.06 -4.65 114.28 117.04 1win n THR 26 Ca 0.22 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.87 1win n THR 26 Cb 0.43 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.83 0.01 -0.20 6.98 0.00 -0.24 -1.93 119.26 121.06 1win h ALA 27 Ca -0.23 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1win h ALA 27 Cb 0.75 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1win h ALA 27 CO 0.14 -0.59 -0.52 1.05 0.00 0.00 0.00 179.25 179.33 1win h GLU 28 N -0.16 0.56 0.00 0.00 -0.00 -1.85 -3.47 114.58 109.66 1win h GLU 28 Ca 0.15 -0.34 0.00 0.00 -0.00 0.00 0.00 59.36 59.17 1win h GLU 28 Cb 0.39 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 1win h GLU 28 CO -0.38 0.94 0.00 0.41 -0.00 0.00 0.00 179.01 179.98 1win n GLY 29 N 0.20 0.61 2.95 1.06 0.00 -0.72 -5.14 105.19 104.15 1win n GLY 29 Ca -0.03 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 1.45 -0.28 1.61 1.01 -1.26 -4.71 120.40 118.23 1win s VAL 30 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 1win s VAL 30 Cb 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1win s VAL 30 CO 0.00 0.07 1.75 0.00 0.00 0.00 0.00 175.10 176.93 1win s ALA 31 N 1.46 3.02 0.34 5.51 0.00 -1.25 -0.88 121.76 129.96 1win s ALA 31 Ca -0.02 0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.41 1win s ALA 31 Cb -0.17 -3.96 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 1win s ALA 31 CO -0.07 -2.37 0.06 -0.51 0.00 0.00 0.00 175.76 172.86 1win s LEU 32 N 6.28 3.09 -0.30 0.00 2.01 -1.04 -3.84 118.68 124.89 1win s LEU 32 Ca 0.78 -0.90 0.00 0.00 0.01 0.00 0.00 54.13 54.02 1win s LEU 32 Cb -0.24 -1.50 0.09 0.00 0.01 0.00 0.00 46.19 44.55 1win s LEU 32 CO 0.33 -0.25 0.07 -0.89 1.01 0.00 0.00 176.35 176.62 1win s THR 33 N -2.48 1.20 -0.35 5.49 2.01 0.33 -3.09 115.64 118.75 1win s THR 33 Ca 0.36 -1.52 -0.05 0.00 0.31 0.00 0.00 61.69 60.79 1win s THR 33 Cb -0.01 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.71 1win s THR 33 CO 0.21 -0.58 0.11 -0.69 -0.69 0.00 0.00 174.62 172.98 1win s VAL 34 N 1.47 3.56 0.14 3.82 1.01 -0.56 -0.85 120.40 128.99 1win s VAL 34 Ca 0.08 -1.37 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 1win s VAL 34 Cb -0.18 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1win s VAL 34 CO -0.19 -0.28 1.74 0.74 0.00 0.00 0.00 175.10 177.11 1win h THR 35 N 6.27 0.88 -3.58 3.92 2.02 -1.47 -0.66 112.91 120.30 1win h THR 35 Ca -0.21 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1win h THR 35 Cb 1.07 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1win h THR 35 CO 0.62 0.03 -0.87 0.61 0.37 0.00 0.00 175.52 176.27 1win n GLY 36 N -1.20 -4.60 2.95 2.16 0.00 -1.25 -1.79 105.19 101.46 1win n GLY 36 Ca -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.27 0.26 0.24 1.61 1.01 0.92 -3.43 120.40 117.73 1win s VAL 37 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1win s VAL 37 Cb 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.15 1win s VAL 37 CO 0.00 -0.06 0.67 0.00 0.00 0.00 0.00 175.10 175.71 1win s ALA 38 N -0.41 -1.30 0.05 5.51 0.00 -1.20 0.01 121.76 124.42 1win s ALA 38 Ca -0.02 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 51.94 1win s ALA 38 Cb -0.03 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1win s ALA 38 CO -0.00 -0.94 -0.20 -0.65 0.00 0.00 0.00 175.76 173.97 1win s GLN 39 N -3.87 1.99 0.08 0.00 -1.52 -1.06 -2.96 119.66 112.31 1win s GLN 39 Ca 0.08 -1.02 -0.10 0.00 -1.95 0.00 0.00 55.36 52.36 1win s GLN 39 Cb -0.04 -2.14 0.01 0.00 -0.22 0.00 0.00 33.01 30.62 1win s GLN 39 CO 0.00 0.53 0.23 0.54 -0.25 0.00 0.00 175.29 176.34 1win s VAL 40 N -0.92 0.12 0.11 1.09 0.11 -1.06 -0.73 120.40 119.13 1win s VAL 40 Ca 0.14 -1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.09 1win s VAL 40 Cb -0.10 -1.20 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1win s VAL 40 CO 0.05 -0.56 0.22 -1.59 -3.33 0.00 0.00 175.10 169.89 1win s LYS 41 N -3.49 0.92 -0.80 1.54 -2.85 -1.05 0.31 119.74 114.32 1win s LYS 41 Ca 0.02 -0.98 -0.19 0.00 -1.00 0.00 0.00 55.97 53.81 1win s LYS 41 Cb 0.03 0.36 0.12 0.00 -2.06 0.00 0.00 37.83 36.28 1win s LYS 41 CO -0.09 -0.31 0.98 0.42 0.10 0.00 0.00 175.35 176.45 1win s ILE 42 N -3.88 4.75 0.17 3.79 -1.09 -1.24 -3.19 121.20 120.50 1win s ILE 42 Ca 0.07 -1.30 -0.19 0.00 -2.23 0.00 0.00 60.65 57.00 1win s ILE 42 Cb 0.04 -4.68 -0.12 0.00 -1.58 0.00 0.00 42.46 36.13 1win s ILE 42 CO -0.09 -1.38 0.31 0.23 -1.23 0.00 0.00 174.94 172.78 1win n MET 43 N 6.50 0.00 -2.14 2.79 2.81 -1.20 -4.80 117.12 121.07 1win n MET 43 Ca 0.11 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.70 1win n MET 43 Cb 0.47 -0.72 -0.00 0.00 -0.71 0.00 0.00 33.22 32.26 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 -0.81 4.73 -0.51 2.03 2.01 -1.26 -4.95 115.64 116.87 1win s THR 44 Ca 0.45 0.78 -0.27 0.00 0.31 0.00 0.00 61.69 62.97 1win s THR 44 Cb -0.63 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 1win s THR 44 CO 0.41 -0.99 2.11 -1.83 -0.69 0.00 0.00 174.62 173.63 1win s GLU 45 N -4.87 2.49 -0.09 4.92 -1.05 -1.26 -4.72 118.70 114.12 1win s GLU 45 Ca 0.54 1.11 0.11 0.00 -0.15 0.00 0.00 54.97 56.58 1win s GLU 45 Cb -0.11 -4.46 -0.16 0.00 -0.44 0.00 0.00 34.13 28.97 1win s GLU 45 CO 0.48 -2.86 0.11 1.17 0.95 0.00 0.00 175.26 175.11 1win n LYS 46 N 9.02 1.58 -3.15 -4.83 3.00 -1.26 -4.96 118.16 117.56 1win n LYS 46 Ca 0.28 -0.04 0.05 0.00 -0.00 0.00 0.00 58.31 58.61 1win n LYS 46 Cb 0.52 -1.30 -0.01 0.00 0.00 0.00 0.00 35.03 34.24 1win n LYS 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1win s GLU 47 N -2.46 0.20 -1.32 1.64 -6.30 -1.26 -4.98 118.70 104.22 1win s GLU 47 Ca -0.05 0.33 -0.01 0.00 -2.50 0.00 0.00 54.97 52.74 1win s GLU 47 Cb 0.05 0.18 0.00 0.00 0.00 0.00 0.00 34.13 34.36 1win s GLU 47 CO 0.49 -0.24 0.71 1.28 0.02 0.00 0.00 175.26 177.53 1win n LEU 48 N 5.43 -3.09 0.34 2.70 7.99 -1.26 -4.82 117.00 124.29 1win n LEU 48 Ca -0.05 -0.82 0.19 0.00 -0.01 0.00 0.00 56.01 55.33 1win n LEU 48 Cb 0.54 -2.66 1.04 0.00 -0.11 0.00 0.00 43.42 42.23 1win n LEU 48 CO -0.11 0.41 1.16 0.25 -1.51 0.00 0.00 177.39 177.59 1win h LEU 49 N -1.88 0.00 -1.16 2.23 7.12 -1.93 -2.93 115.31 116.76 1win h LEU 49 Ca -0.61 0.00 0.37 0.00 0.13 0.00 0.00 57.88 57.77 1win h LEU 49 Cb 1.36 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 41.41 1win h LEU 49 CO 0.57 0.00 0.79 0.00 -0.13 0.00 0.00 178.44 179.67 1win n ALA 50 N -1.99 1.13 -0.26 1.25 0.00 -1.26 0.59 120.51 119.98 1win n ALA 50 Ca -0.03 0.56 0.02 0.00 0.00 0.00 0.00 53.44 53.99 1win n ALA 50 Cb 0.21 -0.78 0.10 0.00 0.00 0.00 0.00 19.45 18.98 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 0.26 0.00 0.00 3.04 -1.87 -2.82 116.25 114.86 1win h VAL 51 Ca 0.65 -0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 66.29 1win h VAL 51 Cb 2.30 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 1win h VAL 51 CO -0.20 0.00 -1.61 0.00 -1.01 0.00 0.00 177.57 174.75 1win n ALA 52 N -3.21 2.30 0.02 3.17 0.00 0.20 -4.21 120.51 118.78 1win n ALA 52 Ca 0.11 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 1win n ALA 52 Cb 0.40 -0.33 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.59 0.35 -0.12 0.00 4.81 -1.77 0.24 114.58 117.50 1win h GLU 54 Ca 0.02 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1win h GLU 54 Cb 0.65 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1win h GLU 54 CO -0.37 0.88 0.11 0.37 -0.73 0.00 0.00 179.01 179.28 1win h GLN 55 N 0.25 0.00 0.00 1.92 4.15 -1.59 -3.18 115.11 116.66 1win h GLN 55 Ca -0.02 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.06 1win h GLN 55 Cb 1.20 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 1win h GLN 55 CO 0.11 0.00 -2.13 1.19 -1.93 0.00 0.00 178.83 176.07 1win n PHE 56 N -4.00 0.00 -1.27 3.99 3.72 0.28 -4.87 117.46 115.31 1win n PHE 56 Ca -0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 1win n PHE 56 Cb 0.22 -0.76 -0.04 0.00 -0.94 0.00 0.00 39.48 37.97 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 -3.99 -0.90 0.00 4.37 4.77 0.83 -0.78 117.00 121.29 1win n LEU 57 Ca -0.41 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1win n LEU 57 Cb 0.78 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1win n LEU 57 CO 0.03 -2.48 0.00 0.61 -1.33 0.00 0.00 177.39 174.22 1win n GLY 58 N 1.70 2.14 3.28 -0.72 0.00 -1.26 -4.90 105.19 105.43 1win n GLY 58 Ca 0.16 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1win n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1win s LYS 59 N 0.00 -3.06 -0.03 1.61 1.02 0.04 -4.89 119.74 114.42 1win s LYS 59 Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1win s LYS 59 Cb 0.00 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 1win s LYS 59 CO 0.00 -4.97 -0.01 -0.80 -0.92 0.00 0.00 175.35 168.65 1win s ASN 60 N -3.09 5.09 0.20 2.83 0.01 -1.26 -4.52 114.94 114.20 1win s ASN 60 Ca 0.68 0.03 -0.03 0.00 -0.71 0.00 0.00 52.86 52.83 1win s ASN 60 Cb -0.14 -1.35 0.39 0.00 0.41 0.00 0.00 41.25 40.57 1win s ASN 60 CO 0.58 0.32 1.07 1.33 -1.51 0.00 0.00 177.10 178.89 1win n VAL 61 N 1.69 -0.29 -0.22 1.60 0.24 -1.26 0.24 118.33 120.33 1win n VAL 61 Ca -0.16 1.55 0.00 0.00 -2.04 0.00 0.00 64.34 63.69 1win n VAL 61 Cb 0.53 -2.19 0.12 0.00 -1.47 0.00 0.00 33.84 30.83 1win n VAL 61 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1win h GLN 62 N 0.00 0.51 -0.43 7.34 3.07 -1.98 -1.22 115.11 122.41 1win h GLN 62 Ca 0.36 -0.03 0.08 0.00 0.09 0.00 0.00 58.65 59.15 1win h GLN 62 Cb 0.63 -0.12 -0.08 0.00 0.08 0.00 0.00 27.48 28.00 1win h GLN 62 CO -0.68 0.34 -0.05 0.22 0.09 0.00 0.00 178.83 178.75 1win h ASP 63 N 0.53 -0.28 0.43 0.06 1.82 0.27 -1.65 116.42 117.60 1win h ASP 63 Ca 0.32 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 57.05 1win h ASP 63 Cb 0.34 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.58 1win h ASP 63 CO -0.27 -0.10 -0.21 0.40 -1.61 0.00 0.00 179.24 177.46 1win h ILE 64 N 0.06 0.00 -0.85 2.25 5.03 -1.13 -2.03 117.51 120.84 1win h ILE 64 Ca 0.21 -0.11 0.35 0.00 -0.12 0.00 0.00 64.86 65.20 1win h ILE 64 Cb 0.32 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.95 1win h ILE 64 CO -0.40 0.00 0.45 0.29 -0.68 0.00 0.00 178.15 177.81 1win n LYS 65 N -3.85 -0.05 0.26 2.37 5.02 -0.53 -0.03 118.16 121.36 1win n LYS 65 Ca -0.07 1.18 -0.12 0.00 -2.02 0.00 0.00 58.31 57.27 1win n LYS 65 Cb 0.23 -2.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.07 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 -0.61 -0.89 4.39 2.35 -1.20 -0.83 115.58 118.79 1win h ASN 66 Ca 0.72 -0.01 0.16 0.00 -0.55 0.00 0.00 56.30 56.61 1win h ASN 66 Cb 1.89 0.16 -0.16 0.00 0.05 0.00 0.00 38.32 40.26 1win h ASN 66 CO -0.66 -0.20 -0.32 0.58 -1.65 0.00 0.00 177.43 175.18 1win h VAL 67 N -1.15 0.06 0.52 2.81 2.07 0.31 0.30 116.25 121.17 1win h VAL 67 Ca -0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1win h VAL 67 Cb 0.58 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1win h VAL 67 CO 0.12 0.00 -0.25 0.58 0.02 0.00 0.00 177.57 178.04 1win h VAL 68 N -0.03 0.39 -1.06 2.57 2.07 -1.38 -3.01 116.25 115.80 1win h VAL 68 Ca 0.36 -0.35 0.31 0.00 0.82 0.00 0.00 66.70 67.84 1win h VAL 68 Cb 0.61 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 30.77 1win h VAL 68 CO -0.91 0.05 0.64 0.25 0.02 0.00 0.00 177.57 177.61 1win h LEU 69 N -0.94 0.50 0.41 2.57 5.85 -0.01 -1.13 115.31 122.56 1win h LEU 69 Ca -0.07 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1win h LEU 69 Cb 0.62 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1win h LEU 69 CO 0.12 -0.03 -0.48 1.56 -0.34 0.00 0.00 178.44 179.26 1win h GLN 70 N 0.37 -0.87 -0.96 1.25 4.20 -0.33 0.24 115.11 119.02 1win h GLN 70 Ca 0.69 0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.59 1win h GLN 70 Cb 1.65 0.20 -0.14 0.00 0.30 0.00 0.00 27.48 29.49 1win h GLN 70 CO -0.47 -0.58 -0.44 2.41 -0.67 0.00 0.00 178.83 179.08 1win n THR 71 N -5.33 -0.55 0.37 -0.54 -1.04 -0.43 -0.65 114.28 106.11 1win n THR 71 Ca -0.11 2.26 -0.16 0.00 -2.04 0.00 0.00 64.05 64.00 1win n THR 71 Cb 0.43 -2.92 -0.08 0.00 -1.82 0.00 0.00 70.33 65.93 1win n THR 71 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1win h LEU 72 N 0.00 -0.80 -0.72 -4.42 3.38 -1.46 -2.80 115.31 108.49 1win h LEU 72 Ca 0.27 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.30 1win h LEU 72 Cb 0.51 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1win h LEU 72 CO -0.93 -0.47 -0.42 1.21 0.09 0.00 0.00 178.44 177.92 1win n GLU 73 N -5.43 -0.32 -0.14 1.13 2.13 0.84 -0.74 120.64 118.11 1win n GLU 73 Ca -0.13 1.34 -0.08 0.00 0.66 0.00 0.00 57.16 58.95 1win n GLU 73 Cb 0.39 -1.97 -0.02 0.00 0.27 0.00 0.00 31.44 30.11 1win n GLU 73 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1win h GLY 74 N 0.00 -0.31 0.13 8.31 0.00 -0.93 -1.33 103.07 108.93 1win h GLY 74 Ca 0.11 0.46 0.08 0.00 0.00 0.00 0.00 47.33 47.99 1win h GLY 74 CO -0.67 -0.20 -0.13 0.45 0.00 0.00 0.00 176.54 175.99 1win h HIS 75 N -0.26 -0.29 -0.86 5.60 3.86 -0.76 -0.65 115.15 121.79 1win h HIS 75 Ca 0.17 0.04 0.20 0.00 -1.16 0.00 0.00 60.37 59.63 1win h HIS 75 Cb 0.55 0.19 -0.12 0.00 1.06 0.00 0.00 27.41 29.10 1win h HIS 75 CO -0.58 -0.21 0.34 1.25 0.86 0.00 0.00 177.93 179.59 1win h LEU 76 N -0.03 0.25 -0.69 2.43 5.85 0.20 0.26 115.31 123.57 1win h LEU 76 Ca 0.20 0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 1win h LEU 76 Cb 0.34 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1win h LEU 76 CO -0.44 -0.01 0.12 -0.09 -0.34 0.00 0.00 178.44 177.68 1win h ARG 77 N 0.37 1.13 0.65 1.25 2.43 -0.61 -1.93 114.38 117.66 1win h ARG 77 Ca 0.52 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1win h ARG 77 Cb 0.96 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1win h ARG 77 CO -0.52 1.02 -0.31 1.03 -1.51 0.00 0.00 179.97 179.67 1win h SER 78 N 1.05 -0.74 -1.00 -3.80 0.87 0.11 -1.16 113.55 108.89 1win h SER 78 Ca 0.21 0.02 0.23 0.00 -1.23 0.00 0.00 61.79 61.01 1win h SER 78 Cb 0.43 0.19 -0.12 0.00 -0.44 0.00 0.00 62.40 62.46 1win h SER 78 CO 0.01 -0.35 0.59 0.40 -0.53 0.00 0.00 176.83 176.95 1win h ILE 79 N -1.22 0.59 0.11 2.23 1.08 -0.77 -1.16 117.51 118.38 1win h ILE 79 Ca -0.09 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1win h ILE 79 Cb 0.68 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1win h ILE 79 CO 0.15 0.11 -0.05 0.25 -0.69 0.00 0.00 178.15 177.92 1win h LEU 80 N 0.63 -0.13 -0.78 1.44 6.46 -1.32 -2.67 115.31 118.93 1win h LEU 80 Ca 0.62 -0.26 0.14 0.00 -0.12 0.00 0.00 57.88 58.26 1win h LEU 80 Cb 1.11 0.03 -0.14 0.00 -0.73 0.00 0.00 40.66 40.93 1win h LEU 80 CO -0.45 0.20 -0.28 1.23 -0.62 0.00 0.00 178.44 178.51 1win h GLY 81 N -0.47 0.26 2.00 3.75 0.00 0.06 1.12 103.07 109.80 1win h GLY 81 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1win h GLY 81 CO 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 176.54 176.31 1win h THR 82 N -0.05 0.00 -3.05 4.70 1.03 -1.49 0.22 112.91 114.27 1win h THR 82 Ca 0.33 -0.36 -0.60 0.00 -0.01 0.00 0.00 66.41 65.76 1win h THR 82 Cb 0.58 1.29 -0.05 0.00 -1.07 0.00 0.00 68.15 68.90 1win h THR 82 CO -0.82 0.00 -0.22 -0.22 -0.01 0.00 0.00 175.52 174.25 1win s LEU 83 N -5.78 4.43 0.21 0.00 2.96 0.39 -4.72 118.68 116.17 1win s LEU 83 Ca 0.01 0.91 -0.29 0.00 -0.22 0.00 0.00 54.13 54.53 1win s LEU 83 Cb 0.09 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 43.98 1win s LEU 83 CO 0.48 0.27 0.92 0.42 -1.32 0.00 0.00 176.35 177.13 1win s THR 84 N -1.19 4.16 0.47 3.68 -4.23 -1.26 -2.49 115.64 114.78 1win s THR 84 Ca 0.27 2.04 0.33 0.00 -1.18 0.00 0.00 61.69 63.16 1win s THR 84 Cb -0.16 -4.31 0.53 0.00 1.34 0.00 0.00 72.50 69.91 1win s THR 84 CO 0.15 0.48 1.66 1.62 -0.54 0.00 0.00 174.62 177.98 1win h VAL 85 N 3.29 0.19 -0.06 2.29 3.04 -1.91 0.44 116.25 123.54 1win h VAL 85 Ca -0.45 -0.03 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 1win h VAL 85 Cb 1.20 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1win h VAL 85 CO 0.68 0.02 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.81 1win h GLU 86 N 0.10 0.19 -0.75 4.17 5.08 -2.01 -3.24 114.58 118.12 1win h GLU 86 Ca 0.78 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 59.10 1win h GLU 86 Cb 2.62 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 31.82 1win h GLU 86 CO -0.26 0.71 0.41 1.96 -1.00 0.00 0.00 179.01 180.82 1win h GLN 87 N -0.30 0.67 -0.95 2.33 4.20 -0.52 -1.11 115.11 119.42 1win h GLN 87 Ca 0.00 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.84 1win h GLN 87 Cb 0.71 -0.15 -0.10 0.00 0.30 0.00 0.00 27.48 28.23 1win h GLN 87 CO 0.03 0.44 0.55 0.82 -0.67 0.00 0.00 178.83 180.00 1win h ILE 88 N 0.69 0.72 0.06 2.54 2.04 -1.34 -2.26 117.51 119.96 1win h ILE 88 Ca 0.37 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1win h ILE 88 Cb 0.35 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1win h ILE 88 CO -0.25 0.13 -0.03 1.88 0.00 0.00 0.00 178.15 179.88 1win h TYR 89 N 0.72 -0.07 -0.47 1.37 0.05 -1.27 -3.22 116.97 114.08 1win h TYR 89 Ca 0.54 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.36 1win h TYR 89 Cb 0.80 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.51 1win h TYR 89 CO -0.04 0.50 -0.27 1.04 -1.05 0.00 0.00 178.16 178.34 1win n GLN 90 N -4.83 -0.20 -3.54 4.88 1.13 -0.64 -4.07 117.38 110.10 1win n GLN 90 Ca -0.08 0.93 -0.25 0.00 -1.94 0.00 0.00 57.00 55.66 1win n GLN 90 Cb 0.30 -1.38 -0.15 0.00 0.11 0.00 0.00 30.24 29.12 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 -4.57 2.51 -0.04 1.08 -4.77 -1.13 -5.04 116.67 104.72 1win s ASP 91 Ca -0.06 -0.79 -0.17 0.00 -3.30 0.00 0.00 52.55 48.23 1win s ASP 91 Cb 0.05 -0.09 -0.11 0.00 -1.09 0.00 0.00 42.92 41.68 1win s ASP 91 CO 0.29 -0.38 0.73 0.03 0.70 0.00 0.00 175.17 176.54 1win h ARG 92 N 8.38 -0.38 -1.64 2.11 3.08 -1.70 -3.05 114.38 121.18 1win h ARG 92 Ca -0.17 0.03 0.49 0.00 0.07 0.00 0.00 59.98 60.40 1win h ARG 92 Cb 1.09 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.15 1win h ARG 92 CO 0.35 -0.10 1.17 -0.25 -1.07 0.00 0.00 179.97 180.06 1win n ASP 93 N -5.04 0.04 -0.02 7.04 9.92 -1.26 0.16 116.55 127.38 1win n ASP 93 Ca -0.07 0.95 -0.16 0.00 -0.53 0.00 0.00 54.79 54.98 1win n ASP 93 Cb 0.23 -0.47 -0.13 0.00 -0.64 0.00 0.00 41.12 40.11 1win n ASP 93 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1win h GLN 94 N 0.00 0.14 -0.20 -1.24 5.75 -1.96 -2.19 115.11 115.42 1win h GLN 94 Ca 0.82 -0.19 0.04 0.00 -0.15 0.00 0.00 58.65 59.17 1win h GLN 94 Cb 3.18 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 31.75 1win h GLN 94 CO -0.09 1.01 -0.06 0.35 -2.65 0.00 0.00 178.83 177.39 1win h PHE 95 N -0.64 -0.14 -0.55 3.99 3.57 0.17 -2.41 116.94 120.94 1win h PHE 95 Ca -0.04 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1win h PHE 95 Cb 1.13 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1win h PHE 95 CO 0.22 -0.10 0.05 0.00 -2.23 0.00 0.00 178.31 176.24 1win h ALA 96 N 1.17 0.73 -1.00 2.41 0.00 -1.37 -2.78 119.26 118.41 1win h ALA 96 Ca 0.10 -0.27 0.25 0.00 0.00 0.00 0.00 54.91 54.99 1win h ALA 96 Cb 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1win h ALA 96 CO -0.21 0.52 0.66 -0.22 0.00 0.00 0.00 179.25 179.99 1win h LYS 97 N 0.82 0.34 -0.18 0.00 3.64 -0.91 0.39 116.57 120.67 1win h LYS 97 Ca 0.16 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 1win h LYS 97 Cb 0.47 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1win h LYS 97 CO 0.02 0.22 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.86 1win h LEU 98 N 0.35 0.51 -0.41 5.20 4.07 -1.17 -0.79 115.31 123.06 1win h LEU 98 Ca 0.54 -0.26 -0.06 0.00 0.08 0.00 0.00 57.88 58.18 1win h LEU 98 Cb 1.47 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 43.05 1win h LEU 98 CO -0.21 0.92 0.01 0.58 -1.08 0.00 0.00 178.44 178.66 1win h VAL 99 N 0.37 1.26 0.00 1.22 2.07 -0.25 -0.58 116.25 120.34 1win h VAL 99 Ca 0.02 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 1win h VAL 99 Cb 1.00 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1win h VAL 99 CO 0.09 0.34 -0.50 0.08 0.02 0.00 0.00 177.57 177.60 1win h ARG 100 N 0.56 0.00 -0.07 1.57 0.11 -1.31 -1.90 114.38 113.34 1win h ARG 100 Ca 0.12 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.99 1win h ARG 100 Cb 0.47 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.56 1win h ARG 100 CO 0.02 0.50 -0.76 0.93 0.10 0.00 0.00 179.97 180.76 1win h GLU 101 N 0.00 0.64 0.00 0.08 5.08 -0.94 0.52 114.58 119.96 1win h GLU 101 Ca -0.01 -0.59 -0.09 0.00 -1.00 0.00 0.00 59.36 57.67 1win h GLU 101 Cb 1.18 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1win h GLU 101 CO 0.07 1.20 -0.45 -0.24 -1.00 0.00 0.00 179.01 178.59 1win h VAL 102 N 0.29 0.83 0.04 3.13 3.04 -1.13 -3.34 116.25 119.11 1win h VAL 102 Ca -0.07 -1.98 -0.27 0.00 -1.01 0.00 0.00 66.70 63.37 1win h VAL 102 Cb 1.41 2.27 -0.03 0.00 -2.01 0.00 0.00 31.29 32.93 1win h VAL 102 CO 0.15 0.44 -1.49 0.00 -1.01 0.00 0.00 177.57 175.66 1win n ALA 103 N -2.24 0.82 -0.19 3.17 0.00 -0.71 -3.78 120.51 117.57 1win n ALA 103 Ca 0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 1win n ALA 103 Cb 0.66 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 1win n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win n ALA 104 N -3.31 -0.26 0.05 0.00 0.00 0.18 0.23 120.51 117.40 1win n ALA 104 Ca -0.32 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 1win n ALA 104 Cb 0.79 -0.09 0.15 0.00 0.00 0.00 0.00 19.45 20.30 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 0.39 0.27 0.00 0.13 -1.77 -2.65 132.00 128.37 1win h PRO 105 Ca 0.09 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1win h PRO 105 Cb 0.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1win h PRO 105 CO -0.44 0.77 -0.13 0.22 -0.23 0.00 0.00 178.00 178.18 1win h ASP 106 N 0.32 -0.31 -0.23 1.44 1.82 0.28 -3.17 116.42 116.57 1win h ASP 106 Ca 0.02 -0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.58 1win h ASP 106 Cb 0.92 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 1win h ASP 106 CO 0.08 -0.09 0.12 -0.37 -1.61 0.00 0.00 179.24 177.37 1win h VAL 107 N -0.52 1.01 -0.81 2.25 -1.51 -0.35 -2.89 116.25 113.43 1win h VAL 107 Ca -0.04 -0.09 0.18 0.00 -1.23 0.00 0.00 66.70 65.53 1win h VAL 107 Cb 0.39 0.73 -0.15 0.00 -2.13 0.00 0.00 31.29 30.12 1win h VAL 107 CO 0.06 0.05 -0.12 0.61 -1.23 0.00 0.00 177.57 176.94 1win n GLY 108 N -1.16 -1.26 0.29 5.19 0.00 -1.00 0.72 105.19 107.96 1win n GLY 108 Ca -0.02 0.84 0.01 0.00 0.00 0.00 0.00 46.02 46.85 1win n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1win h ARG 109 N 0.00 -0.01 -0.41 1.61 3.08 -1.54 0.89 114.38 117.99 1win h ARG 109 Ca 0.42 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.36 1win h ARG 109 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1win h ARG 109 CO -0.80 -0.01 -0.17 0.52 -1.07 0.00 0.00 179.97 178.43 1win h MET 110 N -0.01 0.85 0.00 0.04 2.86 0.14 -3.47 114.93 115.34 1win h MET 110 Ca 0.35 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1win h MET 110 Cb 0.55 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1win h MET 110 CO -0.77 1.00 0.00 0.41 1.06 0.00 0.00 176.91 178.61 1win n GLY 111 N -0.10 1.36 3.23 8.32 0.00 0.31 -4.06 105.19 114.25 1win n GLY 111 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.45 1.85 -0.08 -0.61 -1.09 -1.21 -3.25 121.20 115.37 1win s ILE 112 Ca 0.00 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.47 1win s ILE 112 Cb 0.00 -1.57 -0.02 0.00 -1.58 0.00 0.00 42.46 39.29 1win s ILE 112 CO 0.00 0.52 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.41 1win s GLU 113 N -0.18 2.81 -0.16 2.79 2.12 -1.19 -2.94 118.70 121.95 1win s GLU 113 Ca -0.01 -0.66 -0.15 0.00 0.36 0.00 0.00 54.97 54.51 1win s GLU 113 Cb -0.12 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 1win s GLU 113 CO 0.02 0.52 0.36 0.96 -0.54 0.00 0.00 175.26 176.59 1win s ILE 114 N -0.44 5.25 -0.07 -3.70 -5.25 -1.26 -2.51 121.20 113.22 1win s ILE 114 Ca 0.06 0.69 -0.25 0.00 -0.99 0.00 0.00 60.65 60.15 1win s ILE 114 Cb -0.12 -3.70 -0.21 0.00 2.95 0.00 0.00 42.46 41.38 1win s ILE 114 CO 0.02 0.34 0.98 -0.07 -1.79 0.00 0.00 174.94 174.42 1win h LEU 115 N 6.91 -0.04 0.00 0.37 -0.00 -1.29 -3.49 115.31 117.77 1win h LEU 115 Ca -0.40 -0.62 0.07 0.00 -0.00 0.00 0.00 57.88 56.93 1win h LEU 115 Cb 1.17 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1win h LEU 115 CO 0.75 0.64 0.39 -1.20 -0.00 0.00 0.00 178.44 179.01 1win n SER 116 N -4.79 -1.64 -3.79 -0.43 7.64 -1.25 -4.97 113.62 104.40 1win n SER 116 Ca -0.09 -1.99 -0.13 0.00 1.01 0.00 0.00 58.87 57.67 1win n SER 116 Cb 0.33 2.70 -0.09 0.00 -1.01 0.00 0.00 64.21 66.14 1win n SER 116 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1win s PHE 117 N -2.97 -0.14 0.10 1.43 2.19 -1.26 -2.58 117.98 114.76 1win s PHE 117 Ca 0.17 0.20 -0.26 0.00 0.33 0.00 0.00 56.93 57.37 1win s PHE 117 Cb -0.03 0.07 0.08 0.00 -1.31 0.00 0.00 43.02 41.82 1win s PHE 117 CO 0.07 -0.36 0.86 0.99 1.83 0.00 0.00 175.22 178.61 1win s THR 118 N -1.27 0.00 -0.33 0.12 2.01 0.10 -4.88 115.64 111.39 1win s THR 118 Ca -0.13 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 1win s THR 118 Cb -0.06 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.99 1win s THR 118 CO 0.03 0.00 0.19 -0.63 -0.69 0.00 0.00 174.62 173.52 1win s ILE 119 N -3.35 4.78 -0.00 1.82 -1.09 -1.26 -0.06 121.20 122.04 1win s ILE 119 Ca 0.08 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 58.02 1win s ILE 119 Cb -0.02 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1win s ILE 119 CO -0.04 -0.00 0.64 0.50 -1.23 0.00 0.00 174.94 174.81 1win h LYS 120 N 8.40 -0.14 -2.73 2.79 1.63 -1.89 -3.46 116.57 121.16 1win h LYS 120 Ca -0.31 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.39 1win h LYS 120 Cb 1.14 0.03 -0.21 0.00 -0.60 0.00 0.00 32.23 32.59 1win h LYS 120 CO 0.63 -0.10 -0.18 0.34 -3.45 0.00 0.00 179.45 176.70 1win s ASP 121 N -2.83 -0.37 -0.10 4.20 -1.08 -1.26 -4.95 116.67 110.27 1win s ASP 121 Ca -0.02 0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 52.52 1win s ASP 121 Cb 0.00 0.59 0.03 0.00 -1.46 0.00 0.00 42.92 42.08 1win s ASP 121 CO 0.06 -0.34 -0.05 0.54 0.52 0.00 0.00 175.17 175.90 1win s VAL 122 N -0.64 0.82 0.06 1.11 0.11 -1.26 -1.28 120.40 119.32 1win s VAL 122 Ca -0.07 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1win s VAL 122 Cb -0.04 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1win s VAL 122 CO 0.03 0.33 -0.06 -0.72 -3.33 0.00 0.00 175.10 171.35 1win s TYR 123 N 1.79 0.67 -0.35 1.54 1.13 -0.03 -4.94 117.35 117.15 1win s TYR 123 Ca 0.05 -0.74 -0.12 0.00 -1.41 0.00 0.00 57.07 54.84 1win s TYR 123 Cb -0.13 -0.41 -0.00 0.00 -1.10 0.00 0.00 41.96 40.32 1win s TYR 123 CO -0.07 -0.17 0.23 0.16 -2.51 0.00 0.00 175.55 173.19 1win s ASP 124 N -2.29 5.93 0.24 -0.18 -4.77 -1.26 0.12 116.67 114.47 1win s ASP 124 Ca -0.01 -0.62 -0.06 0.00 -3.30 0.00 0.00 52.55 48.56 1win s ASP 124 Cb -0.02 -2.10 0.24 0.00 -1.09 0.00 0.00 42.92 39.95 1win s ASP 124 CO -0.03 -0.30 1.89 0.11 0.70 0.00 0.00 175.17 177.54 1win h LYS 125 N 8.49 1.28 0.00 2.11 1.79 -1.90 -1.43 116.57 126.92 1win h LYS 125 Ca -0.30 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 1win h LYS 125 Cb 1.14 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1win h LYS 125 CO 0.66 0.90 -0.11 -0.39 -1.08 0.00 0.00 179.45 179.42 1win h VAL 126 N 1.30 0.31 -6.03 0.50 -1.51 -1.93 -3.47 116.25 105.43 1win h VAL 126 Ca 0.34 -0.76 -0.42 0.00 -1.23 0.00 0.00 66.70 64.62 1win h VAL 126 Cb -0.06 1.58 0.07 0.00 -2.13 0.00 0.00 31.29 30.75 1win h VAL 126 CO -0.06 0.11 -0.74 0.47 -1.23 0.00 0.00 177.57 176.12 1win n ASP 127 N -3.29 -4.57 -0.07 4.19 9.92 -0.54 -4.92 116.55 117.27 1win n ASP 127 Ca -0.00 -0.68 -0.11 0.00 -0.53 0.00 0.00 54.79 53.47 1win n ASP 127 Cb 0.34 -4.48 -0.10 0.00 -0.64 0.00 0.00 41.12 36.24 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 -2.27 0.00 0.09 1.24 5.03 -1.90 -2.54 116.97 116.63 1win h TYR 128 Ca -0.58 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 60.44 1win h TYR 128 Cb 1.37 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.67 1win h TYR 128 CO 0.51 0.79 -1.19 1.37 -1.32 0.00 0.00 178.16 178.32 1win h LEU 129 N -1.00 0.83 -0.89 2.82 8.10 -1.96 -3.18 115.31 120.04 1win h LEU 129 Ca -0.03 -0.75 -0.11 0.00 0.11 0.00 0.00 57.88 57.11 1win h LEU 129 Cb 0.79 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1win h LEU 129 CO -0.02 1.55 -0.37 0.28 -4.11 0.00 0.00 178.44 175.78 1win h SER 130 N 0.28 0.38 -1.13 0.17 0.02 -1.94 -3.02 113.55 108.31 1win h SER 130 Ca -0.17 -0.15 -0.69 0.00 -0.84 0.00 0.00 61.79 59.94 1win h SER 130 Cb 1.86 -0.11 -0.29 0.00 0.14 0.00 0.00 62.40 64.00 1win h SER 130 CO 0.23 0.72 0.81 -0.24 -1.14 0.00 0.00 176.83 177.21 1win n SER 131 N -4.05 7.54 0.05 3.07 2.88 -0.96 -4.57 113.62 117.58 1win n SER 131 Ca -0.01 -3.79 -0.07 0.00 -1.33 0.00 0.00 58.87 53.67 1win n SER 131 Cb 0.47 -0.96 0.10 0.00 -0.75 0.00 0.00 64.21 63.07 1win n SER 131 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1win h LEU 132 N 2.15 0.43 0.00 2.46 3.38 -1.50 -3.47 115.31 118.76 1win h LEU 132 Ca 0.59 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1win h LEU 132 Cb 0.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1win h LEU 132 CO 1.53 0.90 0.00 0.61 0.09 0.00 0.00 178.44 181.57 1win n GLY 133 N 0.22 0.16 3.34 0.83 0.00 -1.26 -5.12 105.19 103.35 1win n GLY 133 Ca -0.03 0.42 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 1win n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1win s LYS 134 N 1.19 1.42 -0.27 1.61 -2.85 -1.26 -5.17 119.74 114.41 1win s LYS 134 Ca 0.00 -1.76 -0.25 0.00 -1.00 0.00 0.00 55.97 52.96 1win s LYS 134 Cb 0.00 -0.42 0.08 0.00 -2.06 0.00 0.00 37.83 35.44 1win s LYS 134 CO 0.00 -0.24 0.80 -0.08 0.10 0.00 0.00 175.35 175.93 1win s THR 135 N -3.62 0.00 -0.11 3.79 -1.32 -1.26 -5.04 115.64 108.07 1win s THR 135 Ca 0.35 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.00 1win s THR 135 Cb 0.08 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.87 1win s THR 135 CO 0.13 0.00 0.63 1.67 -2.21 0.00 0.00 174.62 174.84 1win n GLN 136 N 2.64 0.64 -3.87 7.08 7.27 -1.26 -4.82 117.38 125.05 1win n GLN 136 Ca -0.14 0.18 -0.28 0.00 0.07 0.00 0.00 57.00 56.83 1win n GLN 136 Cb 0.55 -1.74 -0.16 0.00 2.41 0.00 0.00 30.24 31.30 1win n GLN 136 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1win s THR 137 N -2.80 1.05 -0.07 1.69 -4.23 -1.26 -5.11 115.64 104.91 1win s THR 137 Ca -0.05 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1win s THR 137 Cb 0.08 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 1win s THR 137 CO 0.82 0.08 1.47 -0.55 -0.54 0.00 0.00 174.62 175.91 1win s SER 138 N 1.65 6.80 0.00 3.99 0.15 -1.26 -4.90 113.70 120.13 1win s SER 138 Ca 0.00 2.04 0.00 0.00 0.70 0.00 0.00 55.95 58.69 1win s SER 138 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1win s SER 138 CO -0.07 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1win n GLY 139 N 3.86 4.28 3.62 9.45 0.00 -1.26 -5.10 105.19 120.04 1win n GLY 139 Ca 0.15 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1win n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1win s PRO 140 N -2.61 3.66 -0.03 1.61 0.04 -1.26 -4.99 135.00 131.42 1win s PRO 140 Ca 0.00 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1win s PRO 140 Cb 0.00 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.49 1win s PRO 140 CO 0.00 -1.46 -0.01 -1.12 0.04 0.00 0.00 177.00 174.45 1win s SER 141 N 4.67 0.41 0.01 6.66 0.01 -1.26 -5.04 113.70 119.16 1win s SER 141 Ca 0.73 -0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.93 1win s SER 141 Cb -0.23 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.78 1win s SER 141 CO 0.31 -0.08 -0.05 -0.24 0.41 0.00 0.00 173.24 173.59 1win n SER 142 N 3.98 0.76 0.00 2.44 2.88 -1.26 -5.21 113.62 117.20 1win n SER 142 Ca -0.25 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1win n SER 142 Cb 0.51 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1win n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42