#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 0.39 -4.36 1.61 2.88 -1.26 -5.04 113.62 107.85 1win n SER 2 Ca 0.00 0.21 -0.37 0.00 -1.33 0.00 0.00 58.87 57.38 1win n SER 2 Cb 0.00 -0.01 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1win n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1win s SER 3 N -5.40 5.14 0.00 -3.46 0.01 -1.26 -4.77 113.70 103.96 1win s SER 3 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1win s SER 3 Cb 0.00 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1win s SER 3 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1win n GLY 4 N 4.88 0.00 3.69 3.44 0.00 -1.26 -5.13 105.19 110.81 1win n GLY 4 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 6.44 -0.14 1.61 1.04 -1.26 -4.96 113.70 116.43 1win s SER 5 Ca 0.00 2.74 -0.30 0.00 0.48 0.00 0.00 55.95 58.86 1win s SER 5 Cb 0.00 -2.56 0.13 0.00 0.10 0.00 0.00 66.02 63.68 1win s SER 5 CO 0.00 -1.00 1.00 -0.55 0.98 0.00 0.00 173.24 173.67 1win s SER 6 N 2.76 -0.35 0.00 7.02 0.15 -1.26 -5.14 113.70 116.89 1win s SER 6 Ca 0.81 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1win s SER 6 Cb -0.45 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1win s SER 6 CO 0.36 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1win n GLY 7 N 0.53 -3.56 2.08 9.45 0.00 -1.26 -4.95 105.19 107.48 1win n GLY 7 Ca -0.09 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.01 3.54 -3.51 1.61 6.02 -1.26 -4.96 117.38 118.81 1win n GLN 8 Ca 0.00 -4.14 -0.10 0.00 -0.01 0.00 0.00 57.00 52.75 1win n GLN 8 Cb 0.00 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 28.95 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 -3.61 0.82 0.61 -1.09 3.52 -1.26 -5.11 118.95 112.83 1win s ARG 9 Ca 0.52 -0.19 -0.18 0.00 -0.13 0.00 0.00 55.73 55.74 1win s ARG 9 Cb 0.42 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 34.16 1win s ARG 9 CO 0.01 -0.34 1.22 -1.50 -0.81 0.00 0.00 175.30 173.88 1win s ILE 10 N -2.66 2.54 -0.23 4.11 2.07 -1.26 -4.91 121.20 120.86 1win s ILE 10 Ca 0.02 0.33 -0.01 0.00 -1.41 0.00 0.00 60.65 59.58 1win s ILE 10 Cb -0.01 -3.12 0.07 0.00 0.13 0.00 0.00 42.46 39.53 1win s ILE 10 CO -0.06 -0.08 0.01 -0.94 -1.91 0.00 0.00 174.94 171.96 1win s SER 11 N -1.60 3.47 -0.23 4.50 1.04 -1.26 -5.09 113.70 114.53 1win s SER 11 Ca 0.78 -1.10 -0.31 0.00 0.48 0.00 0.00 55.95 55.80 1win s SER 11 Cb -0.31 -0.87 -0.08 0.00 0.10 0.00 0.00 66.02 64.86 1win s SER 11 CO 0.35 -0.30 2.16 -0.11 0.98 0.00 0.00 173.24 176.32 1win n LEU 12 N 4.86 3.01 -3.62 2.42 7.94 -1.26 -4.89 117.00 125.46 1win n LEU 12 Ca -0.09 0.39 -0.05 0.00 -1.11 0.00 0.00 56.01 55.15 1win n LEU 12 Cb 0.45 -1.45 -0.05 0.00 0.53 0.00 0.00 43.42 42.90 1win n LEU 12 CO 0.15 -0.57 1.00 -0.70 -1.11 0.00 0.00 177.39 176.15 1win s GLU 13 N 5.94 0.27 0.41 1.96 2.12 -1.26 -5.09 118.70 123.06 1win s GLU 13 Ca 1.02 0.10 -0.27 0.00 0.36 0.00 0.00 54.97 56.18 1win s GLU 13 Cb -0.54 0.13 -0.10 0.00 0.26 0.00 0.00 34.13 33.89 1win s GLU 13 CO 0.42 -0.08 1.46 0.42 -0.54 0.00 0.00 175.26 176.94 1win s ILE 14 N -0.86 2.07 -0.02 -3.70 1.01 -1.26 -4.10 121.20 114.35 1win s ILE 14 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.83 1win s ILE 14 Cb -0.01 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1win s ILE 14 CO -0.05 0.01 -0.22 -0.04 0.00 0.00 0.00 174.94 174.64 1win s MET 15 N -2.24 1.81 -0.47 2.79 -1.94 0.18 -4.95 119.30 114.48 1win s MET 15 Ca 0.56 -0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 53.60 1win s MET 15 Cb -0.45 -1.74 0.07 0.00 2.01 0.00 0.00 34.83 34.72 1win s MET 15 CO 0.60 0.46 0.40 0.99 -0.01 0.00 0.00 175.02 177.46 1win s THR 16 N -0.49 5.23 -0.23 2.05 2.01 -1.26 -0.88 115.64 122.08 1win s THR 16 Ca 0.08 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 1win s THR 16 Cb -0.09 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 1win s THR 16 CO -0.01 -0.57 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.57 1win s LEU 17 N 1.66 2.99 -0.59 4.42 1.02 -1.11 -4.99 118.68 122.09 1win s LEU 17 Ca 0.04 -0.37 -0.13 0.00 0.02 0.00 0.00 54.13 53.69 1win s LEU 17 Cb -0.24 -1.77 0.15 0.00 0.02 0.00 0.00 46.19 44.35 1win s LEU 17 CO 0.07 -0.03 0.51 -1.10 0.02 0.00 0.00 176.35 175.82 1win s GLN 18 N 1.50 2.96 -0.43 1.70 1.11 -1.26 -2.46 119.66 122.79 1win s GLN 18 Ca 0.06 -1.92 -0.28 0.00 0.01 0.00 0.00 55.36 53.22 1win s GLN 18 Cb -0.14 -4.20 -0.01 0.00 -1.01 0.00 0.00 33.01 27.64 1win s GLN 18 CO -0.02 -1.28 1.75 -1.25 0.01 0.00 0.00 175.29 174.50 1win s PRO 19 N 1.15 3.17 0.23 2.91 0.04 -1.17 -4.88 135.00 136.46 1win s PRO 19 Ca 0.08 1.10 0.11 0.00 0.04 0.00 0.00 61.00 62.33 1win s PRO 19 Cb -0.24 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 1win s PRO 19 CO -0.01 -2.06 -0.15 0.50 0.04 0.00 0.00 177.00 175.32 1win s ARG 20 N 5.93 1.83 -0.06 4.56 3.52 -0.71 -3.45 118.95 130.56 1win s ARG 20 Ca 0.73 -1.53 -0.04 0.00 -0.13 0.00 0.00 55.73 54.76 1win s ARG 20 Cb -0.18 -1.94 0.03 0.00 -1.56 0.00 0.00 34.95 31.29 1win s ARG 20 CO 0.30 0.38 0.15 0.00 -0.81 0.00 0.00 175.30 175.31 1win s GLU 22 N 0.69 1.02 -0.83 0.00 2.02 -1.26 -2.08 118.70 118.26 1win s GLU 22 Ca -0.05 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 1win s GLU 22 Cb -0.07 -1.02 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 1win s GLU 22 CO -0.03 0.26 0.70 -3.47 0.02 0.00 0.00 175.26 172.74 1win n ASP 23 N 2.21 -2.58 -4.00 -0.19 2.03 -1.25 -5.01 116.55 107.76 1win n ASP 23 Ca -0.16 -0.45 -0.31 0.00 0.52 0.00 0.00 54.79 54.39 1win n ASP 23 Cb 0.55 -3.79 -0.15 0.00 -0.72 0.00 0.00 41.12 37.01 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1win s VAL 24 N -3.26 2.16 0.23 5.18 -7.23 -1.24 -4.93 120.40 111.32 1win s VAL 24 Ca 0.06 -2.23 -0.32 0.00 -1.81 0.00 0.00 61.98 57.68 1win s VAL 24 Cb -0.01 -2.58 -0.13 0.00 0.56 0.00 0.00 36.38 34.22 1win s VAL 24 CO 0.52 -0.57 1.60 -0.62 -0.31 0.00 0.00 175.10 175.72 1win n GLU 25 N 4.31 2.48 -0.72 4.82 1.02 -1.26 -2.31 120.64 128.98 1win n GLU 25 Ca 0.02 0.89 -0.18 0.00 -0.02 0.00 0.00 57.16 57.88 1win n GLU 25 Cb 0.42 -2.67 0.15 0.00 -0.02 0.00 0.00 31.44 29.32 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 2.93 0.00 -0.26 2.62 -2.24 0.15 -4.62 114.28 112.86 1win n THR 26 Ca 0.13 -0.34 0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1win n THR 26 Cb 0.33 -1.24 0.22 0.00 -2.10 0.00 0.00 70.33 67.54 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 -2.34 1.44 0.03 6.98 0.00 -0.73 -2.73 119.26 121.91 1win h ALA 27 Ca -0.25 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1win h ALA 27 Cb 0.75 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1win h ALA 27 CO 0.17 0.50 -0.87 1.05 0.00 0.00 0.00 179.25 180.10 1win h GLU 28 N 1.08 0.54 0.00 0.00 4.11 -1.86 -3.48 114.58 114.97 1win h GLU 28 Ca 0.31 -0.62 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1win h GLU 28 Cb -0.07 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1win h GLU 28 CO -0.08 1.23 0.00 0.41 0.07 0.00 0.00 179.01 180.65 1win n GLY 29 N 1.16 0.16 2.80 1.06 0.00 -1.03 -5.16 105.19 104.20 1win n GLY 29 Ca -0.11 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.24 0.00 1.61 1.01 -1.26 -4.78 120.40 116.74 1win s VAL 30 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1win s VAL 30 Cb 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 1win s VAL 30 CO 0.00 0.13 1.42 0.00 0.00 0.00 0.00 175.10 176.65 1win s ALA 31 N 2.27 3.59 0.23 5.51 0.00 -1.26 0.30 121.76 132.40 1win s ALA 31 Ca 0.03 0.90 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1win s ALA 31 Cb -0.12 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1win s ALA 31 CO -0.06 -0.94 -0.11 -0.51 0.00 0.00 0.00 175.76 174.15 1win s LEU 32 N 2.45 2.51 -0.13 0.00 2.01 -0.98 -4.11 118.68 120.44 1win s LEU 32 Ca 0.64 -1.09 0.03 0.00 0.01 0.00 0.00 54.13 53.72 1win s LEU 32 Cb -0.32 -0.63 0.01 0.00 0.01 0.00 0.00 46.19 45.26 1win s LEU 32 CO 0.27 -0.25 -0.21 -0.89 1.01 0.00 0.00 176.35 176.27 1win s THR 33 N -3.02 1.98 -0.18 5.49 2.01 0.58 -3.61 115.64 118.89 1win s THR 33 Ca 0.25 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1win s THR 33 Cb 0.01 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.82 1win s THR 33 CO 0.08 0.54 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.84 1win s VAL 34 N 0.77 0.97 0.08 3.82 1.01 -0.88 -0.95 120.40 125.21 1win s VAL 34 Ca -0.09 -0.69 -0.35 0.00 0.00 0.00 0.00 61.98 60.86 1win s VAL 34 Cb -0.16 -1.27 -0.17 0.00 0.00 0.00 0.00 36.38 34.78 1win s VAL 34 CO -0.00 -0.02 1.59 0.74 0.00 0.00 0.00 175.10 177.40 1win h THR 35 N 6.48 0.12 -2.37 3.92 2.02 -1.14 -1.75 112.91 120.19 1win h THR 35 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1win h THR 35 Cb 1.11 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1win h THR 35 CO 0.37 0.00 -0.56 0.61 0.37 0.00 0.00 175.52 176.31 1win n GLY 36 N -1.56 -4.22 2.70 2.16 0.00 -1.22 -1.74 105.19 101.30 1win n GLY 36 Ca -0.13 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.07 0.00 -0.02 1.61 1.01 0.14 -3.04 120.40 118.04 1win s VAL 37 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 1win s VAL 37 Cb 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1win s VAL 37 CO 0.00 0.20 0.04 0.00 0.00 0.00 0.00 175.10 175.33 1win s ALA 38 N 2.09 0.03 0.15 5.51 0.00 -1.03 0.38 121.76 128.89 1win s ALA 38 Ca 0.05 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 1win s ALA 38 Cb -0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 1win s ALA 38 CO -0.03 -0.09 0.65 -1.14 0.00 0.00 0.00 175.76 175.14 1win s GLN 39 N 0.88 4.23 0.15 0.00 2.00 -0.28 -2.74 119.66 123.91 1win s GLN 39 Ca -0.07 0.80 -0.00 0.00 -2.00 0.00 0.00 55.36 54.08 1win s GLN 39 Cb -0.10 -3.07 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 1win s GLN 39 CO -0.03 0.52 0.05 0.54 -0.50 0.00 0.00 175.29 175.87 1win s VAL 40 N -1.31 0.26 -0.23 1.34 0.11 -0.06 -1.75 120.40 118.76 1win s VAL 40 Ca 0.36 -1.93 -0.20 0.00 -2.93 0.00 0.00 61.98 57.27 1win s VAL 40 Cb -0.18 -2.10 0.06 0.00 -1.53 0.00 0.00 36.38 32.63 1win s VAL 40 CO 0.21 -0.44 0.61 -1.59 -3.33 0.00 0.00 175.10 170.56 1win s LYS 41 N -4.02 0.70 0.17 1.54 -2.85 -1.21 0.49 119.74 114.57 1win s LYS 41 Ca 0.25 0.88 -0.32 0.00 -1.00 0.00 0.00 55.97 55.78 1win s LYS 41 Cb 0.07 0.32 -0.10 0.00 -2.06 0.00 0.00 37.83 36.06 1win s LYS 41 CO 0.03 -0.09 1.60 0.42 0.10 0.00 0.00 175.35 177.41 1win s ILE 42 N 0.47 2.50 0.89 3.79 -1.09 -1.26 -3.57 121.20 122.94 1win s ILE 42 Ca -0.01 0.36 -0.12 0.00 -2.23 0.00 0.00 60.65 58.64 1win s ILE 42 Cb -0.04 -3.23 0.13 0.00 -1.58 0.00 0.00 42.46 37.73 1win s ILE 42 CO -0.01 0.03 1.15 -0.04 -1.23 0.00 0.00 174.94 174.84 1win s MET 43 N 1.16 1.28 -0.12 2.79 -1.94 -1.24 -4.83 119.30 116.40 1win s MET 43 Ca 0.71 0.22 0.07 0.00 -1.71 0.00 0.00 55.69 54.98 1win s MET 43 Cb -0.45 -1.86 -0.12 0.00 2.01 0.00 0.00 34.83 34.41 1win s MET 43 CO 0.31 -2.08 -0.02 2.41 -0.01 0.00 0.00 175.02 175.63 1win n THR 44 N -3.67 0.77 -4.00 2.05 -1.04 -1.26 -5.02 114.28 102.10 1win n THR 44 Ca 0.07 -0.41 -0.26 0.00 -2.04 0.00 0.00 64.05 61.40 1win n THR 44 Cb 0.60 -0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 1win n THR 44 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1win n GLU 45 N -2.57 -2.88 -0.21 -2.82 1.02 -1.26 -4.31 120.64 107.60 1win n GLU 45 Ca -0.20 0.36 0.20 0.00 -0.02 0.00 0.00 57.16 57.50 1win n GLU 45 Cb 0.83 -4.36 0.35 0.00 -0.02 0.00 0.00 31.44 28.23 1win n GLU 45 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1win n LYS 46 N -4.43 -0.03 0.23 3.49 4.81 -1.26 0.78 118.16 121.75 1win n LYS 46 Ca -0.31 0.74 -0.10 0.00 -0.87 0.00 0.00 58.31 57.78 1win n LYS 46 Cb 0.68 -1.38 -0.05 0.00 0.02 0.00 0.00 35.03 34.31 1win n LYS 46 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1win h GLU 47 N 0.00 -0.61 -2.31 1.64 4.57 -2.05 -3.44 114.58 112.37 1win h GLU 47 Ca 0.48 0.04 -0.29 0.00 -1.18 0.00 0.00 59.36 58.41 1win h GLU 47 Cb 1.39 0.14 -0.34 0.00 -0.16 0.00 0.00 28.75 29.78 1win h GLU 47 CO -0.36 -0.41 -0.60 -0.51 -1.18 0.00 0.00 179.01 175.95 1win s LEU 48 N -8.09 -0.23 -0.03 1.64 1.43 0.23 -4.99 118.68 108.64 1win s LEU 48 Ca -0.09 -0.29 0.21 0.00 -1.03 0.00 0.00 54.13 52.93 1win s LEU 48 Cb 0.01 0.55 -0.33 0.00 0.03 0.00 0.00 46.19 46.45 1win s LEU 48 CO 0.28 -0.34 0.46 -0.11 0.23 0.00 0.00 176.35 176.87 1win n LEU 49 N 5.32 0.01 -0.35 1.79 -0.00 -1.15 -4.36 117.00 118.26 1win n LEU 49 Ca -0.04 -0.00 0.37 0.00 -0.00 0.00 0.00 56.01 56.33 1win n LEU 49 Cb 0.49 0.00 0.72 0.00 -0.00 0.00 0.00 43.42 44.62 1win n LEU 49 CO 0.06 0.00 1.34 0.00 -0.00 0.00 0.00 177.39 178.79 1win h ALA 50 N 1.93 3.18 -1.00 1.96 0.00 -1.92 0.39 119.26 123.79 1win h ALA 50 Ca 0.00 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.15 1win h ALA 50 Cb 0.96 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1win h ALA 50 CO 0.00 -1.68 0.71 -0.24 0.00 0.00 0.00 179.25 178.04 1win h VAL 51 N 0.00 0.52 0.00 0.00 3.04 -1.90 -2.69 116.25 115.21 1win h VAL 51 Ca 0.61 -0.04 -0.15 0.00 -1.01 0.00 0.00 66.70 66.11 1win h VAL 51 Cb 2.64 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 32.30 1win h VAL 51 CO -0.01 0.02 -1.57 0.00 -1.01 0.00 0.00 177.57 175.00 1win n ALA 52 N -2.67 1.79 -0.04 3.17 0.00 0.13 -4.34 120.51 118.54 1win n ALA 52 Ca 0.22 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 1win n ALA 52 Cb 1.01 0.17 -0.01 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.01 0.89 -0.98 0.00 4.57 -1.83 0.20 114.58 117.42 1win h GLU 54 Ca 0.02 -0.14 0.23 0.00 -1.18 0.00 0.00 59.36 58.29 1win h GLU 54 Cb 0.05 -0.16 -0.12 0.00 -0.16 0.00 0.00 28.75 28.36 1win h GLU 54 CO -0.10 0.73 0.56 0.37 -1.18 0.00 0.00 179.01 179.39 1win h GLN 55 N 0.84 0.56 0.05 1.92 5.75 -1.45 -2.06 115.11 120.72 1win h GLN 55 Ca 0.21 -0.03 -0.21 0.00 -0.15 0.00 0.00 58.65 58.46 1win h GLN 55 Cb 0.14 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1win h GLN 55 CO -0.02 0.37 -1.11 0.74 -2.65 0.00 0.00 178.83 176.16 1win h PHE 56 N 0.58 0.20 -0.95 3.99 0.04 0.06 -3.36 116.94 117.50 1win h PHE 56 Ca 0.62 -0.14 0.37 0.00 2.80 0.00 0.00 57.97 61.62 1win h PHE 56 Cb 1.14 -0.01 -0.17 0.00 2.20 0.00 0.00 35.95 39.11 1win h PHE 56 CO -0.03 1.43 0.42 1.28 -0.60 0.00 0.00 178.31 180.81 1win n LEU 57 N -4.23 0.25 -0.31 1.54 4.77 0.67 0.14 117.00 119.82 1win n LEU 57 Ca -0.25 1.58 0.05 0.00 -0.03 0.00 0.00 56.01 57.36 1win n LEU 57 Cb 0.75 -0.73 0.20 0.00 -2.33 0.00 0.00 43.42 41.30 1win n LEU 57 CO 0.31 -1.74 1.15 1.23 -1.33 0.00 0.00 177.39 177.02 1win h GLY 58 N 0.00 1.39 -1.99 -0.72 0.00 -1.54 -3.43 103.07 96.78 1win h GLY 58 Ca 0.76 -0.32 -0.51 0.00 0.00 0.00 0.00 47.33 47.26 1win h GLY 58 CO -0.76 0.09 -0.36 -1.59 0.00 0.00 0.00 176.54 173.92 1win s LYS 59 N -6.00 2.46 0.47 4.80 0.00 0.36 -5.13 119.74 116.72 1win s LYS 59 Ca -0.12 -1.63 -0.07 0.00 0.00 0.00 0.00 55.97 54.15 1win s LYS 59 Cb 0.21 -2.32 -0.04 0.00 0.00 0.00 0.00 37.83 35.67 1win s LYS 59 CO 0.79 -0.27 0.80 -0.80 0.00 0.00 0.00 175.35 175.87 1win s ASN 60 N -4.16 6.33 0.49 0.03 0.01 -1.26 -4.89 114.94 111.49 1win s ASN 60 Ca 0.46 1.03 0.36 0.00 -0.71 0.00 0.00 52.86 54.00 1win s ASN 60 Cb -0.03 -2.29 1.51 0.00 0.41 0.00 0.00 41.25 40.85 1win s ASN 60 CO 0.27 -0.56 1.67 -0.37 -1.51 0.00 0.00 177.10 176.60 1win h VAL 61 N 0.40 0.21 0.84 1.60 -1.51 -1.91 -0.21 116.25 115.67 1win h VAL 61 Ca -0.47 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 1win h VAL 61 Cb 1.20 0.12 0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1win h VAL 61 CO 0.62 0.01 -0.40 1.56 -1.23 0.00 0.00 177.57 178.13 1win h GLN 62 N 0.08 -1.09 -0.96 5.19 4.20 -2.00 -3.13 115.11 117.40 1win h GLN 62 Ca 0.77 0.07 0.13 0.00 0.06 0.00 0.00 58.65 59.68 1win h GLN 62 Cb 2.71 0.25 -0.14 0.00 0.30 0.00 0.00 27.48 30.60 1win h GLN 62 CO -0.19 -0.72 -0.43 -3.47 -0.67 0.00 0.00 178.83 173.34 1win n ASP 63 N -5.14 -0.74 -0.10 1.46 -0.08 -0.10 -1.41 116.55 110.44 1win n ASP 63 Ca -0.14 1.69 -0.03 0.00 -1.51 0.00 0.00 54.79 54.80 1win n ASP 63 Cb 0.44 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 43.54 1win n ASP 63 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1win h ILE 64 N 0.00 0.00 -0.83 5.18 5.03 -1.51 0.45 117.51 125.83 1win h ILE 64 Ca 0.28 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.34 1win h ILE 64 Cb 0.52 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.16 1win h ILE 64 CO -0.94 0.00 0.34 0.29 -0.68 0.00 0.00 178.15 177.15 1win n LYS 65 N -3.61 -0.05 0.06 2.37 5.02 -0.50 0.23 118.16 121.68 1win n LYS 65 Ca 0.00 1.17 -0.19 0.00 -2.02 0.00 0.00 58.31 57.27 1win n LYS 65 Cb 0.08 -2.03 -0.10 0.00 -0.02 0.00 0.00 35.03 32.97 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 0.80 0.80 4.39 2.35 -0.25 -2.74 115.58 120.92 1win h ASN 66 Ca 0.65 -0.67 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1win h ASN 66 Cb 1.65 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 39.78 1win h ASN 66 CO -0.67 1.48 -0.38 0.58 -1.65 0.00 0.00 177.43 176.78 1win h VAL 67 N 0.32 0.19 -0.92 2.81 2.07 0.69 -0.82 116.25 120.59 1win h VAL 67 Ca -0.13 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1win h VAL 67 Cb 1.73 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1win h VAL 67 CO 0.20 0.00 0.60 0.58 0.02 0.00 0.00 177.57 178.98 1win h VAL 68 N -1.12 1.06 -0.14 2.57 2.07 -0.99 -2.28 116.25 117.43 1win h VAL 68 Ca -0.11 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1win h VAL 68 Cb 0.83 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1win h VAL 68 CO 0.18 0.19 0.08 0.25 0.02 0.00 0.00 177.57 178.29 1win h LEU 69 N 1.05 0.17 -1.72 2.57 5.85 -1.32 -2.31 115.31 119.60 1win h LEU 69 Ca 0.40 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.17 1win h LEU 69 Cb 0.21 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1win h LEU 69 CO -0.15 0.18 0.40 1.56 -0.34 0.00 0.00 178.44 180.09 1win h GLN 70 N 0.15 0.30 0.65 1.25 1.08 -0.58 0.12 115.11 118.08 1win h GLN 70 Ca 0.05 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1win h GLN 70 Cb 0.05 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1win h GLN 70 CO -0.01 0.20 -0.31 1.15 -0.95 0.00 0.00 178.83 178.91 1win h THR 71 N 0.31 0.00 -0.72 -0.54 2.02 -1.06 0.13 112.91 113.05 1win h THR 71 Ca 0.28 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1win h THR 71 Cb 0.66 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1win h THR 71 CO -0.07 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 176.11 1win h LEU 72 N -0.89 0.94 0.58 2.58 3.38 -1.36 -3.00 115.31 117.54 1win h LEU 72 Ca -0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1win h LEU 72 Cb 0.67 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1win h LEU 72 CO 0.15 0.81 -0.37 -0.33 0.09 0.00 0.00 178.44 178.79 1win h GLU 73 N 1.01 -0.86 -0.97 1.13 5.08 -0.75 -1.83 114.58 117.39 1win h GLU 73 Ca 0.25 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.87 1win h GLU 73 Cb 0.11 0.20 -0.18 0.00 0.50 0.00 0.00 28.75 29.37 1win h GLU 73 CO -0.03 -0.57 -0.20 0.78 -1.00 0.00 0.00 179.01 177.98 1win h GLY 74 N -0.89 0.77 0.96 -3.84 0.00 -0.72 0.52 103.07 99.88 1win h GLY 74 Ca -0.08 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1win h GLY 74 CO 0.07 -0.39 0.39 0.45 0.00 0.00 0.00 176.54 177.07 1win h HIS 75 N 0.00 0.74 -0.39 5.60 3.86 -1.38 -2.88 115.15 120.71 1win h HIS 75 Ca 0.48 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.79 1win h HIS 75 Cb 0.78 -0.25 -0.09 0.00 1.06 0.00 0.00 27.41 28.91 1win h HIS 75 CO -0.71 0.45 -0.31 1.25 0.86 0.00 0.00 177.93 179.47 1win h LEU 76 N 0.79 -1.03 -0.32 2.43 5.85 0.92 0.24 115.31 124.19 1win h LEU 76 Ca 0.23 0.19 0.04 0.00 0.84 0.00 0.00 57.88 59.18 1win h LEU 76 Cb -0.06 0.49 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1win h LEU 76 CO -0.06 -0.31 -0.55 0.03 -0.34 0.00 0.00 178.44 177.21 1win h ARG 77 N -0.24 -0.44 0.01 1.25 3.08 -1.24 0.31 114.38 117.11 1win h ARG 77 Ca 0.17 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.29 1win h ARG 77 Cb 0.53 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 1win h ARG 77 CO -0.53 -0.29 -0.28 1.03 -1.07 0.00 0.00 179.97 178.83 1win h SER 78 N -0.46 -0.85 -0.78 7.04 0.87 -1.38 0.14 113.55 118.14 1win h SER 78 Ca 0.06 0.11 0.18 0.00 -1.23 0.00 0.00 61.79 60.92 1win h SER 78 Cb 0.62 0.34 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 1win h SER 78 CO -0.55 -0.35 0.53 0.40 -0.53 0.00 0.00 176.83 176.33 1win h ILE 79 N -0.44 0.71 -0.04 2.23 1.08 -0.30 -0.54 117.51 120.22 1win h ILE 79 Ca 0.06 -0.09 -0.20 0.00 -0.39 0.00 0.00 64.86 64.24 1win h ILE 79 Cb 0.52 0.41 0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1win h ILE 79 CO -0.24 0.05 -0.75 0.25 -0.69 0.00 0.00 178.15 176.77 1win h LEU 80 N 0.27 0.74 0.40 1.44 6.46 0.11 -3.21 115.31 121.52 1win h LEU 80 Ca 0.39 -0.71 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1win h LEU 80 Cb 1.11 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.79 1win h LEU 80 CO -0.10 1.34 -0.44 1.23 -0.62 0.00 0.00 178.44 179.86 1win h GLY 81 N 0.19 -1.04 0.81 3.75 0.00 0.82 -1.50 103.07 106.11 1win h GLY 81 Ca -0.08 0.51 0.14 0.00 0.00 0.00 0.00 47.33 47.89 1win h GLY 81 CO 0.15 -0.33 0.46 0.00 0.00 0.00 0.00 176.54 176.82 1win h THR 82 N -0.87 0.43 -2.88 4.70 1.03 -1.56 0.45 112.91 114.21 1win h THR 82 Ca -0.04 0.00 -0.63 0.00 -0.01 0.00 0.00 66.41 65.73 1win h THR 82 Cb 0.78 0.64 -0.05 0.00 -1.07 0.00 0.00 68.15 68.44 1win h THR 82 CO -0.08 0.00 -0.38 -0.76 -0.01 0.00 0.00 175.52 174.29 1win s LEU 83 N -7.66 4.38 0.31 0.00 1.43 -0.56 -4.78 118.68 111.79 1win s LEU 83 Ca -0.04 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1win s LEU 83 Cb 0.16 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 1win s LEU 83 CO 0.59 0.28 0.60 0.42 0.23 0.00 0.00 176.35 178.47 1win s THR 84 N -1.25 4.96 0.33 5.49 -4.23 -1.26 -2.81 115.64 116.87 1win s THR 84 Ca 0.26 0.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.07 1win s THR 84 Cb -0.13 -3.72 0.38 0.00 1.34 0.00 0.00 72.50 70.37 1win s THR 84 CO 0.14 -0.34 1.59 0.58 -0.54 0.00 0.00 174.62 176.05 1win h VAL 85 N 1.37 0.06 0.56 2.29 2.07 -1.93 0.15 116.25 120.82 1win h VAL 85 Ca -0.47 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1win h VAL 85 Cb 1.19 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1win h VAL 85 CO 0.66 0.01 -0.38 -0.33 0.02 0.00 0.00 177.57 177.54 1win h GLU 86 N 0.04 -0.87 -0.76 1.57 5.08 -2.00 -2.48 114.58 115.15 1win h GLU 86 Ca 0.67 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 59.23 1win h GLU 86 Cb 1.54 0.20 -0.09 0.00 0.50 0.00 0.00 28.75 30.90 1win h GLU 86 CO -0.83 -0.58 0.34 1.96 -1.00 0.00 0.00 179.01 178.89 1win h GLN 87 N -0.90 0.49 0.09 2.33 4.20 -1.14 0.16 115.11 120.33 1win h GLN 87 Ca -0.06 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1win h GLN 87 Cb 0.75 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1win h GLN 87 CO 0.04 0.33 -0.42 0.82 -0.67 0.00 0.00 178.83 178.92 1win h ILE 88 N 0.51 0.00 -0.04 2.54 2.04 -0.89 -2.42 117.51 119.25 1win h ILE 88 Ca 0.41 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.27 1win h ILE 88 Cb 0.59 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1win h ILE 88 CO -0.37 0.00 0.02 1.88 0.00 0.00 0.00 178.15 179.68 1win h TYR 89 N -0.59 0.05 -0.34 1.37 0.05 -1.04 -3.21 116.97 113.26 1win h TYR 89 Ca -0.00 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1win h TYR 89 Cb 0.60 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.28 1win h TYR 89 CO -0.43 0.08 -0.20 1.04 -1.05 0.00 0.00 178.16 177.60 1win n GLN 90 N -5.04 -0.15 -3.89 4.88 6.02 0.53 -3.92 117.38 115.82 1win n GLN 90 Ca -0.06 0.97 -0.30 0.00 -0.01 0.00 0.00 57.00 57.60 1win n GLN 90 Cb 0.05 -1.44 -0.15 0.00 1.02 0.00 0.00 30.24 29.72 1win n GLN 90 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1win s ASP 91 N -4.02 4.03 -0.12 1.08 1.11 -0.93 -5.00 116.67 112.82 1win s ASP 91 Ca -0.04 -1.47 -0.28 0.00 0.18 0.00 0.00 52.55 50.93 1win s ASP 91 Cb 0.04 -1.16 -0.25 0.00 1.07 0.00 0.00 42.92 42.61 1win s ASP 91 CO 0.21 -0.31 0.83 0.03 1.18 0.00 0.00 175.17 177.11 1win h ARG 92 N 7.93 0.01 -0.66 8.23 3.08 -1.67 -3.07 114.38 128.23 1win h ARG 92 Ca -0.14 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.03 1win h ARG 92 Cb 1.05 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.98 1win h ARG 92 CO 0.44 0.94 -0.22 0.22 -1.07 0.00 0.00 179.97 180.29 1win h ASP 93 N -0.92 -0.79 0.58 7.04 3.58 -1.94 -1.57 116.42 122.40 1win h ASP 93 Ca -0.00 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 1win h ASP 93 Cb 0.95 0.47 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1win h ASP 93 CO 0.00 -0.25 -0.30 -0.61 -2.88 0.00 0.00 179.24 175.21 1win h GLN 94 N -0.05 -0.77 -0.98 0.28 4.15 -1.97 -1.73 115.11 114.03 1win h GLN 94 Ca 0.30 0.05 0.27 0.00 0.77 0.00 0.00 58.65 60.04 1win h GLN 94 Cb 0.52 0.18 -0.18 0.00 0.21 0.00 0.00 27.48 28.20 1win h GLN 94 CO -0.70 -0.52 0.03 0.35 -1.93 0.00 0.00 178.83 176.06 1win h PHE 95 N -0.80 -0.05 -0.27 3.99 3.57 -1.21 1.18 116.94 123.34 1win h PHE 95 Ca -0.08 0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1win h PHE 95 Cb 0.63 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1win h PHE 95 CO -0.05 -0.43 -0.35 0.00 -2.23 0.00 0.00 178.31 175.25 1win h ALA 96 N 1.98 0.87 -0.26 2.41 0.00 -1.10 -3.15 119.26 120.01 1win h ALA 96 Ca 0.59 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1win h ALA 96 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1win h ALA 96 CO -0.92 0.63 0.15 -0.22 0.00 0.00 0.00 179.25 178.89 1win h LYS 97 N 0.51 0.35 -0.27 0.00 3.64 0.23 -1.65 116.57 119.38 1win h LYS 97 Ca 0.05 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1win h LYS 97 Cb 0.85 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1win h LYS 97 CO 0.07 0.30 0.38 -0.07 -2.27 0.00 0.00 179.45 177.86 1win h LEU 98 N 0.31 0.00 0.00 5.20 4.07 -0.99 0.71 115.31 124.61 1win h LEU 98 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1win h LEU 98 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1win h LEU 98 CO -0.02 0.00 -0.11 0.58 -1.08 0.00 0.00 178.44 177.81 1win h VAL 99 N 0.00 0.00 -0.66 1.22 2.07 -1.37 -3.07 116.25 114.45 1win h VAL 99 Ca 0.13 -0.67 0.19 0.00 0.82 0.00 0.00 66.70 67.17 1win h VAL 99 Cb 0.89 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1win h VAL 99 CO -0.00 0.00 0.54 0.08 0.02 0.00 0.00 177.57 178.21 1win h ARG 100 N -0.67 0.00 0.02 1.57 0.11 -1.07 0.27 114.38 114.62 1win h ARG 100 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1win h ARG 100 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1win h ARG 100 CO 0.00 0.00 -0.01 0.93 0.10 0.00 0.00 179.97 180.99 1win h GLU 101 N 0.00 -0.03 0.00 0.08 4.39 -1.00 0.49 114.58 118.50 1win h GLU 101 Ca 0.31 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 1win h GLU 101 Cb 1.39 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 1win h GLU 101 CO -0.00 0.55 -0.31 -0.24 -1.16 0.00 0.00 179.01 177.84 1win h VAL 102 N -0.63 0.82 0.14 3.13 3.04 -1.06 -3.19 116.25 118.49 1win h VAL 102 Ca -0.00 -1.26 -0.29 0.00 -1.01 0.00 0.00 66.70 64.14 1win h VAL 102 Cb 0.59 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1win h VAL 102 CO 0.01 0.30 -1.47 0.00 -1.01 0.00 0.00 177.57 175.40 1win h ALA 103 N 1.69 0.15 -0.63 3.17 0.00 -0.54 -3.30 119.26 119.80 1win h ALA 103 Ca -0.00 -1.08 0.06 0.00 0.00 0.00 0.00 54.91 53.89 1win h ALA 103 Cb 0.75 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1win h ALA 103 CO 0.04 0.85 -0.37 0.00 0.00 0.00 0.00 179.25 179.77 1win n ALA 104 N -2.92 -0.40 0.24 0.00 0.00 0.17 0.23 120.51 117.82 1win n ALA 104 Ca -0.24 0.54 0.11 0.00 0.00 0.00 0.00 53.44 53.85 1win n ALA 104 Cb 0.94 -0.07 0.55 0.00 0.00 0.00 0.00 19.45 20.87 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 0.33 0.00 0.13 -1.75 -3.16 132.00 127.56 1win h PRO 105 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1win h PRO 105 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1win h PRO 105 CO -0.59 0.18 -0.16 0.22 -0.23 0.00 0.00 178.00 177.42 1win h ASP 106 N 0.00 -0.38 -0.86 1.44 1.82 0.27 -3.30 116.42 115.41 1win h ASP 106 Ca -0.00 -0.05 0.22 0.00 -0.39 0.00 0.00 57.03 56.81 1win h ASP 106 Cb 0.63 0.10 -0.13 0.00 0.68 0.00 0.00 39.33 40.60 1win h ASP 106 CO 0.02 0.08 0.27 -0.37 -1.61 0.00 0.00 179.24 177.63 1win h VAL 107 N -1.09 0.38 -1.78 2.25 -1.51 -0.32 0.11 116.25 114.29 1win h VAL 107 Ca -0.05 -0.09 0.53 0.00 -1.23 0.00 0.00 66.70 65.86 1win h VAL 107 Cb 0.40 0.09 -0.08 0.00 -2.13 0.00 0.00 31.29 29.57 1win h VAL 107 CO 0.08 0.05 1.27 0.61 -1.23 0.00 0.00 177.57 178.34 1win n GLY 108 N -1.36 -0.92 0.38 5.19 0.00 -1.19 0.00 105.19 107.29 1win n GLY 108 Ca 0.21 0.67 -0.16 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.77 -0.11 1.61 3.08 -0.95 -2.81 114.38 114.43 1win h ARG 109 Ca 0.88 0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.86 1win h ARG 109 Cb 3.44 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 33.65 1win h ARG 109 CO -0.08 -0.51 -0.48 0.00 -1.07 0.00 0.00 179.97 177.82 1win h MET 110 N -0.80 0.28 0.00 0.04 -0.00 -0.61 -3.47 114.93 110.38 1win h MET 110 Ca -0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1win h MET 110 Cb 0.68 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 1win h MET 110 CO -0.00 0.71 0.00 0.41 -0.00 0.00 0.00 176.91 178.03 1win n GLY 111 N 0.01 1.42 3.25 -3.00 0.00 -0.63 -3.64 105.19 102.61 1win n GLY 111 Ca -0.02 0.00 -0.29 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 -2.00 1.80 -0.11 -0.61 -1.09 -1.18 -3.65 121.20 114.35 1win s ILE 112 Ca 0.00 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1win s ILE 112 Cb 0.00 -1.50 -0.02 0.00 -1.58 0.00 0.00 42.46 39.37 1win s ILE 112 CO 0.00 0.51 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.39 1win s GLU 113 N -0.51 3.20 0.24 2.79 2.12 -1.23 -3.27 118.70 122.04 1win s GLU 113 Ca 0.08 -0.68 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1win s GLU 113 Cb -0.09 -2.58 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1win s GLU 113 CO -0.01 0.30 0.90 0.96 -0.54 0.00 0.00 175.26 176.87 1win s ILE 114 N 0.12 4.19 -0.27 -3.70 -5.25 -1.26 -3.32 121.20 111.71 1win s ILE 114 Ca -0.06 1.90 -0.06 0.00 -0.99 0.00 0.00 60.65 61.43 1win s ILE 114 Cb -0.15 -4.19 -0.15 0.00 2.95 0.00 0.00 42.46 40.93 1win s ILE 114 CO 0.05 0.40 -0.28 0.18 -1.79 0.00 0.00 174.94 173.49 1win n LEU 115 N 1.23 2.45 -3.57 0.37 4.77 -0.72 -4.99 117.00 116.55 1win n LEU 115 Ca -0.02 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1win n LEU 115 Cb 0.48 -0.87 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1win n LEU 115 CO 0.47 0.75 0.76 -0.44 -1.33 0.00 0.00 177.39 177.61 1win s SER 116 N -7.03 -0.38 -0.27 -1.43 0.01 -1.14 -4.97 113.70 98.50 1win s SER 116 Ca -0.37 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.26 1win s SER 116 Cb 0.12 0.31 0.09 0.00 0.21 0.00 0.00 66.02 66.75 1win s SER 116 CO 0.55 -0.36 0.08 0.12 0.41 0.00 0.00 173.24 174.03 1win s PHE 117 N -1.23 1.37 0.35 2.43 2.19 -1.26 -1.12 117.98 120.71 1win s PHE 117 Ca -0.02 -1.37 0.08 0.00 0.33 0.00 0.00 56.93 55.95 1win s PHE 117 Cb -0.00 -1.41 -0.07 0.00 -1.31 0.00 0.00 43.02 40.23 1win s PHE 117 CO 0.01 -0.79 -0.05 0.99 1.83 0.00 0.00 175.22 177.22 1win s THR 118 N 1.73 1.99 0.10 0.12 2.01 0.16 -4.45 115.64 117.31 1win s THR 118 Ca 0.06 -2.13 -0.04 0.00 0.31 0.00 0.00 61.69 59.89 1win s THR 118 Cb -0.17 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1win s THR 118 CO -0.20 -0.16 0.32 -0.63 -0.69 0.00 0.00 174.62 173.25 1win s ILE 119 N -2.76 5.24 0.00 1.82 -1.09 -1.26 0.26 121.20 123.41 1win s ILE 119 Ca 0.33 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1win s ILE 119 Cb 0.05 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1win s ILE 119 CO 0.16 0.11 0.00 1.17 -1.23 0.00 0.00 174.94 175.15 1win n LYS 120 N 0.29 0.00 -4.06 2.79 3.00 -1.26 -4.75 118.16 114.18 1win n LYS 120 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.18 1win n LYS 120 Cb 0.52 -0.14 -0.11 0.00 0.00 0.00 0.00 35.03 35.30 1win n LYS 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1win s ASP 121 N -2.75 0.51 -0.11 3.14 1.01 -1.26 -4.97 116.67 112.23 1win s ASP 121 Ca 0.00 -0.77 -0.05 0.00 0.71 0.00 0.00 52.55 52.44 1win s ASP 121 Cb 0.00 0.14 0.05 0.00 1.01 0.00 0.00 42.92 44.12 1win s ASP 121 CO 0.00 -0.44 0.24 -0.69 0.21 0.00 0.00 175.17 174.49 1win s VAL 122 N -2.74 -0.18 0.32 -1.27 1.01 -1.26 -0.62 120.40 115.66 1win s VAL 122 Ca -0.03 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1win s VAL 122 Cb -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1win s VAL 122 CO -0.05 0.09 0.13 -0.72 0.00 0.00 0.00 175.10 174.55 1win s TYR 123 N 1.73 1.66 -0.24 5.22 1.13 -0.13 -4.99 117.35 121.74 1win s TYR 123 Ca -0.05 -1.29 -0.07 0.00 -1.41 0.00 0.00 57.07 54.26 1win s TYR 123 Cb -0.11 -0.95 -0.03 0.00 -1.10 0.00 0.00 41.96 39.77 1win s TYR 123 CO -0.08 -0.40 0.05 0.16 -2.51 0.00 0.00 175.55 172.77 1win s ASP 124 N -3.41 5.05 0.07 -0.18 -4.77 -1.26 -0.31 116.67 111.86 1win s ASP 124 Ca 0.34 -0.21 0.04 0.00 -3.30 0.00 0.00 52.55 49.43 1win s ASP 124 Cb 0.05 -1.90 -0.23 0.00 -1.09 0.00 0.00 42.92 39.75 1win s ASP 124 CO 0.16 -0.01 1.11 0.11 0.70 0.00 0.00 175.17 177.24 1win h LYS 125 N 8.07 0.08 0.03 2.11 1.79 -1.90 -3.33 116.57 123.43 1win h LYS 125 Ca -0.38 -0.14 -0.28 0.00 -2.18 0.00 0.00 60.65 57.67 1win h LYS 125 Cb 1.17 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.84 1win h LYS 125 CO 0.59 0.98 -1.54 -0.39 -1.08 0.00 0.00 179.45 178.01 1win h VAL 126 N 0.02 1.09 -4.21 0.50 -1.51 -1.94 -3.49 116.25 106.71 1win h VAL 126 Ca -0.10 -2.85 -0.21 0.00 -1.23 0.00 0.00 66.70 62.30 1win h VAL 126 Cb 1.87 2.59 0.10 0.00 -2.13 0.00 0.00 31.29 33.73 1win h VAL 126 CO 0.14 0.70 -0.47 0.47 -1.23 0.00 0.00 177.57 177.18 1win n ASP 127 N -3.23 -2.42 -0.04 4.19 8.00 -1.25 -4.99 116.55 116.81 1win n ASP 127 Ca -0.14 -0.37 -0.01 0.00 0.71 0.00 0.00 54.79 54.97 1win n ASP 127 Cb 1.02 -3.35 -0.01 0.00 -0.02 0.00 0.00 41.12 38.77 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1win h TYR 128 N -1.24 -0.02 -0.38 1.24 3.20 -1.92 -2.86 116.97 114.98 1win h TYR 128 Ca -0.36 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.41 1win h TYR 128 Cb 1.21 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1win h TYR 128 CO 0.28 0.06 -0.13 1.37 -1.64 0.00 0.00 178.16 178.10 1win h LEU 129 N -1.00 0.78 -1.49 2.82 8.10 -1.99 -2.95 115.31 119.58 1win h LEU 129 Ca -0.00 -0.38 -0.01 0.00 0.11 0.00 0.00 57.88 57.60 1win h LEU 129 Cb 0.08 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.07 1win h LEU 129 CO 0.00 0.98 0.19 -1.28 -4.11 0.00 0.00 178.44 174.22 1win h SER 130 N 0.57 0.47 -0.56 0.17 0.87 -1.98 -2.61 113.55 110.48 1win h SER 130 Ca 0.09 -0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.72 1win h SER 130 Cb 0.66 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.43 1win h SER 130 CO 0.05 0.41 0.13 0.28 -0.53 0.00 0.00 176.83 177.16 1win h SER 131 N 0.54 0.03 -0.77 6.23 0.02 -1.32 0.56 113.55 118.84 1win h SER 131 Ca 0.14 0.10 0.19 0.00 -0.84 0.00 0.00 61.79 61.37 1win h SER 131 Cb 0.05 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1win h SER 131 CO -0.02 0.04 0.53 -0.07 -1.14 0.00 0.00 176.83 176.17 1win h LEU 132 N 0.27 0.23 -2.42 5.07 3.38 -1.53 -3.46 115.31 116.85 1win h LEU 132 Ca 0.28 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1win h LEU 132 Cb 0.39 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1win h LEU 132 CO -0.35 0.10 -0.05 0.61 0.09 0.00 0.00 178.44 178.84 1win n GLY 133 N -1.59 0.58 3.57 0.83 0.00 0.19 -4.95 105.19 103.81 1win n GLY 133 Ca 0.16 -0.35 -0.51 0.00 0.00 0.00 0.00 46.02 45.31 1win n GLY 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1win n LYS 134 N -1.37 0.97 -3.70 1.61 4.81 -1.26 -4.95 118.16 114.28 1win n LYS 134 Ca -0.01 0.35 -0.30 0.00 -0.87 0.00 0.00 58.31 57.48 1win n LYS 134 Cb 0.51 -1.88 -0.14 0.00 0.02 0.00 0.00 35.03 33.53 1win n LYS 134 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1win s THR 135 N 0.06 0.89 -0.13 3.15 -4.23 -1.26 -4.95 115.64 109.18 1win s THR 135 Ca 0.79 -1.67 0.18 0.00 -1.18 0.00 0.00 61.69 59.82 1win s THR 135 Cb -0.94 -1.66 -0.18 0.00 1.34 0.00 0.00 72.50 71.06 1win s THR 135 CO 0.51 -0.76 0.66 1.67 -0.54 0.00 0.00 174.62 176.16 1win n GLN 136 N 4.49 0.64 -0.07 3.99 7.27 -1.26 -4.29 117.38 128.15 1win n GLN 136 Ca 0.02 0.12 -0.13 0.00 0.07 0.00 0.00 57.00 57.07 1win n GLN 136 Cb 0.40 -1.72 -0.04 0.00 2.41 0.00 0.00 30.24 31.28 1win n GLN 136 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1win n THR 137 N -2.77 1.23 -0.31 1.69 -1.04 -1.26 -4.63 114.28 107.20 1win n THR 137 Ca -0.12 -0.02 0.09 0.00 -2.04 0.00 0.00 64.05 61.96 1win n THR 137 Cb 0.84 -1.93 0.19 0.00 -1.82 0.00 0.00 70.33 67.61 1win n THR 137 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1win n SER 138 N -4.00 -0.21 0.00 8.00 2.88 -1.26 -4.90 113.62 114.13 1win n SER 138 Ca -0.23 1.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1win n SER 138 Cb 0.56 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1win n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1win n GLY 139 N -1.49 -1.56 0.02 0.46 0.00 -1.26 -4.62 105.19 96.73 1win n GLY 139 Ca 0.17 -2.21 0.08 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.32 0.03 -2.92 1.61 -0.04 -1.26 -4.76 135.00 127.33 1win n PRO 140 Ca 0.00 0.28 -0.28 0.00 -0.04 0.00 0.00 63.50 63.45 1win n PRO 140 Cb 0.00 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1win n PRO 140 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1win s SER 141 N -3.16 6.40 -0.04 3.54 0.15 -1.26 -5.10 113.70 114.24 1win s SER 141 Ca 0.07 0.93 -0.00 0.00 0.70 0.00 0.00 55.95 57.64 1win s SER 141 Cb 0.09 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1win s SER 141 CO 0.28 -0.41 0.01 -0.55 1.20 0.00 0.00 173.24 173.76 1win s SER 142 N -3.53 0.81 0.00 5.45 0.15 -1.26 -5.00 113.70 110.32 1win s SER 142 Ca 0.48 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1win s SER 142 Cb -0.10 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1win s SER 142 CO 0.36 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.27