#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 6.39 0.19 1.61 1.04 -1.26 -5.00 113.70 116.66 1win s SER 2 Ca 0.00 -1.54 0.09 0.00 0.48 0.00 0.00 55.95 54.98 1win s SER 2 Cb 0.00 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 1win s SER 2 CO 0.00 -1.23 -0.17 -0.94 0.98 0.00 0.00 173.24 171.88 1win s SER 3 N 3.65 2.76 0.00 7.02 1.04 -1.26 -5.10 113.70 121.81 1win s SER 3 Ca 0.26 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1win s SER 3 Cb -0.12 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1win s SER 3 CO 0.01 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1win n GLY 4 N -0.02 0.96 3.86 7.32 0.00 -1.26 -5.03 105.19 111.01 1win n GLY 4 Ca -0.11 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 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 6.73 -0.23 1.61 1.04 -1.26 -4.99 113.70 116.60 1win s SER 5 Ca 0.00 0.94 -0.43 0.00 0.48 0.00 0.00 55.95 56.95 1win s SER 5 Cb 0.00 -2.24 -0.19 0.00 0.10 0.00 0.00 66.02 63.69 1win s SER 5 CO 0.00 0.11 1.40 -1.20 0.98 0.00 0.00 173.24 174.53 1win n SER 6 N 0.73 0.96 0.00 7.02 7.64 -1.26 -4.15 113.62 124.56 1win n SER 6 Ca -0.06 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1win n SER 6 Cb 0.52 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1win n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1win n GLY 7 N 2.97 0.61 1.03 0.23 0.00 -1.26 -5.05 105.19 103.72 1win n GLY 7 Ca 0.25 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 1.98 -1.04 1.61 1.13 -1.26 -5.05 117.38 114.75 1win n GLN 8 Ca 0.00 -3.11 -0.34 0.00 -1.94 0.00 0.00 57.00 51.62 1win n GLN 8 Cb 0.00 -1.80 0.12 0.00 0.11 0.00 0.00 30.24 28.68 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 -1.04 0.07 -0.95 -1.09 0.00 -1.26 -4.87 116.66 107.52 1win n ARG 9 Ca 0.30 0.09 -0.31 0.00 -0.00 0.00 0.00 57.85 57.93 1win n ARG 9 Cb 0.97 -2.26 0.02 0.00 -0.00 0.00 0.00 32.46 31.19 1win n ARG 9 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1win n ILE 10 N -3.31 0.00 -3.42 8.89 3.06 -1.26 -4.99 119.36 118.33 1win n ILE 10 Ca 0.12 -0.41 0.01 0.00 -2.50 0.00 0.00 62.75 59.98 1win n ILE 10 Cb 0.51 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.66 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 -0.82 -0.92 -0.46 9.51 0.15 -1.26 -5.12 113.70 114.78 1win s SER 11 Ca 0.42 1.04 -0.46 0.00 0.70 0.00 0.00 55.95 57.65 1win s SER 11 Cb -0.31 1.96 -0.19 0.00 -1.71 0.00 0.00 66.02 65.76 1win s SER 11 CO 0.59 -0.18 1.66 -0.11 1.20 0.00 0.00 173.24 176.40 1win n LEU 12 N 5.29 1.41 -3.68 3.45 -0.00 -1.26 -4.92 117.00 117.29 1win n LEU 12 Ca -0.08 1.14 -0.12 0.00 -0.00 0.00 0.00 56.01 56.94 1win n LEU 12 Cb 0.51 -0.93 -0.06 0.00 -0.00 0.00 0.00 43.42 42.94 1win n LEU 12 CO -0.04 -0.76 0.13 -1.61 -0.00 0.00 0.00 177.39 175.12 1win s GLU 13 N 3.29 0.92 -0.00 1.96 2.02 -1.26 -5.06 118.70 120.57 1win s GLU 13 Ca 1.05 -0.42 -0.09 0.00 0.02 0.00 0.00 54.97 55.52 1win s GLU 13 Cb -1.42 0.41 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 1win s GLU 13 CO 0.78 -0.32 0.31 0.42 0.02 0.00 0.00 175.26 176.47 1win s ILE 14 N -2.64 5.23 -0.03 -1.63 1.01 -1.26 -3.02 121.20 118.86 1win s ILE 14 Ca -0.04 0.39 0.03 0.00 0.00 0.00 0.00 60.65 61.02 1win s ILE 14 Cb -0.00 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1win s ILE 14 CO -0.04 0.44 -0.11 0.00 0.00 0.00 0.00 174.94 175.24 1win s MET 15 N -1.51 1.15 -0.38 2.79 0.23 -0.16 -4.99 119.30 116.43 1win s MET 15 Ca 0.26 -0.38 -0.20 0.00 -1.03 0.00 0.00 55.69 54.34 1win s MET 15 Cb -0.14 -1.05 0.01 0.00 -1.53 0.00 0.00 34.83 32.12 1win s MET 15 CO 0.14 0.15 0.61 0.99 -2.03 0.00 0.00 175.02 174.87 1win s THR 16 N 0.15 4.90 -0.13 3.16 2.01 -1.26 -2.53 115.64 121.94 1win s THR 16 Ca -0.03 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1win s THR 16 Cb -0.09 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.33 1win s THR 16 CO 0.01 -0.39 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.59 1win s LEU 17 N 2.67 1.97 -0.55 4.42 1.02 -1.19 -5.01 118.68 122.01 1win s LEU 17 Ca 0.22 -0.54 -0.09 0.00 0.02 0.00 0.00 54.13 53.75 1win s LEU 17 Cb -0.15 -1.32 0.14 0.00 0.02 0.00 0.00 46.19 44.89 1win s LEU 17 CO 0.16 0.06 0.42 -1.10 0.02 0.00 0.00 176.35 175.91 1win s GLN 18 N 0.87 2.65 -0.57 1.70 1.11 -1.26 -3.02 119.66 121.14 1win s GLN 18 Ca -0.07 -2.00 -0.27 0.00 0.01 0.00 0.00 55.36 53.03 1win s GLN 18 Cb -0.15 -3.96 -0.02 0.00 -1.01 0.00 0.00 33.01 27.86 1win s GLN 18 CO -0.02 -1.21 1.84 -1.25 0.01 0.00 0.00 175.29 174.67 1win s PRO 19 N 0.94 2.75 0.31 2.91 0.04 -1.26 -4.90 135.00 135.79 1win s PRO 19 Ca 0.09 0.72 0.06 0.00 0.04 0.00 0.00 61.00 61.92 1win s PRO 19 Cb -0.23 -4.35 -0.02 0.00 0.04 0.00 0.00 34.50 29.94 1win s PRO 19 CO -0.02 -2.58 0.39 1.03 0.04 0.00 0.00 177.00 175.86 1win s ARG 20 N 6.79 3.10 -0.09 4.56 0.52 -0.87 -4.23 118.95 128.73 1win s ARG 20 Ca 0.69 -1.01 -0.04 0.00 -0.52 0.00 0.00 55.73 54.84 1win s ARG 20 Cb -0.14 -2.75 0.05 0.00 0.52 0.00 0.00 34.95 32.63 1win s ARG 20 CO 0.23 0.17 0.18 0.00 0.02 0.00 0.00 175.30 175.90 1win s GLU 22 N 2.25 1.09 -1.65 0.00 4.04 -1.26 -0.88 118.70 122.29 1win s GLU 22 Ca 0.02 -1.26 0.00 0.00 0.04 0.00 0.00 54.97 53.77 1win s GLU 22 Cb -0.12 -1.07 0.00 0.00 0.02 0.00 0.00 34.13 32.96 1win s GLU 22 CO -0.06 0.22 0.00 -0.25 -1.84 0.00 0.00 175.26 173.32 1win n ASP 23 N 0.57 -5.11 -4.36 0.83 8.00 -1.25 -4.95 116.55 110.28 1win n ASP 23 Ca -0.16 0.17 -0.45 0.00 0.71 0.00 0.00 54.79 55.07 1win n ASP 23 Cb 0.56 -4.17 -0.07 0.00 -0.02 0.00 0.00 41.12 37.42 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 -2.78 5.19 0.04 2.53 -7.23 -1.25 -4.88 120.40 112.03 1win s VAL 24 Ca 0.00 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 58.64 1win s VAL 24 Cb 0.00 -4.18 -0.08 0.00 0.56 0.00 0.00 36.38 32.68 1win s VAL 24 CO 0.00 -0.68 1.68 -1.61 -0.31 0.00 0.00 175.10 174.19 1win s GLU 25 N 1.62 4.19 1.14 4.82 2.02 -1.26 -1.79 118.70 129.44 1win s GLU 25 Ca 0.04 2.33 -0.19 0.00 0.02 0.00 0.00 54.97 57.17 1win s GLU 25 Cb -0.26 -3.72 0.29 0.00 0.10 0.00 0.00 34.13 30.54 1win s GLU 25 CO 0.05 -0.78 0.78 0.25 0.02 0.00 0.00 175.26 175.58 1win n THR 26 N 4.95 0.00 -0.11 3.63 -2.24 0.95 -4.63 114.28 116.83 1win n THR 26 Ca 0.16 -0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1win n THR 26 Cb 0.41 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 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 -3.09 -0.27 0.09 6.98 0.00 -1.27 -2.18 119.26 119.51 1win h ALA 27 Ca -0.33 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1win h ALA 27 Cb 1.07 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1win h ALA 27 CO 0.20 -0.77 -0.04 1.05 0.00 0.00 0.00 179.25 179.69 1win h GLU 28 N -0.29 -0.12 0.00 0.00 4.11 -1.88 -3.47 114.58 112.94 1win h GLU 28 Ca 0.16 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1win h GLU 28 Cb 0.56 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1win h GLU 28 CO -0.53 -0.03 0.00 0.41 0.07 0.00 0.00 179.01 178.93 1win n GLY 29 N -0.99 -0.11 2.75 1.06 0.00 -0.82 -5.16 105.19 101.93 1win n GLY 29 Ca -0.08 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 0.38 -0.15 1.61 1.01 -1.26 -4.77 120.40 117.22 1win s VAL 30 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1win s VAL 30 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1win s VAL 30 CO 0.00 0.13 1.73 0.00 0.00 0.00 0.00 175.10 176.95 1win s ALA 31 N 1.96 3.33 0.19 5.51 0.00 -1.26 -0.03 121.76 131.46 1win s ALA 31 Ca 0.03 0.70 0.10 0.00 0.00 0.00 0.00 51.96 52.79 1win s ALA 31 Cb -0.14 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1win s ALA 31 CO -0.06 -1.87 -0.12 -0.51 0.00 0.00 0.00 175.76 173.20 1win s LEU 32 N 5.18 2.86 -0.22 0.00 2.01 -0.74 -4.15 118.68 123.62 1win s LEU 32 Ca 0.77 -0.65 -0.02 0.00 0.01 0.00 0.00 54.13 54.23 1win s LEU 32 Cb -0.30 -1.54 0.01 0.00 0.01 0.00 0.00 46.19 44.37 1win s LEU 32 CO 0.31 0.10 -0.08 -0.89 1.01 0.00 0.00 176.35 176.80 1win s THR 33 N -1.76 2.96 -0.21 5.49 2.01 0.38 -3.78 115.64 120.73 1win s THR 33 Ca 0.25 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1win s THR 33 Cb -0.08 -2.39 0.05 0.00 0.01 0.00 0.00 72.50 70.09 1win s THR 33 CO 0.14 0.36 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.69 1win s VAL 34 N 1.39 1.38 0.01 3.82 1.01 -0.05 -0.37 120.40 127.60 1win s VAL 34 Ca 0.04 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 1win s VAL 34 Cb -0.15 -1.61 -0.10 0.00 0.00 0.00 0.00 36.38 34.52 1win s VAL 34 CO -0.05 -0.00 1.04 0.74 0.00 0.00 0.00 175.10 176.82 1win h THR 35 N 6.54 0.00 -1.28 3.92 2.02 -1.09 0.17 112.91 123.18 1win h THR 35 Ca -0.21 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1win h THR 35 Cb 1.09 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1win h THR 35 CO 0.42 0.00 -0.36 0.61 0.37 0.00 0.00 175.52 176.56 1win n GLY 36 N -0.66 -3.16 3.01 2.16 0.00 -1.26 -2.05 105.19 103.22 1win n GLY 36 Ca -0.08 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.27 -0.05 0.04 1.61 1.01 0.82 -4.12 120.40 115.43 1win s VAL 37 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1win s VAL 37 Cb 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 1win s VAL 37 CO 0.00 0.07 0.15 0.00 0.00 0.00 0.00 175.10 175.32 1win s ALA 38 N 1.25 -0.24 -0.21 5.51 0.00 -1.17 -0.38 121.76 126.53 1win s ALA 38 Ca -0.09 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1win s ALA 38 Cb -0.11 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1win s ALA 38 CO -0.08 -0.33 -0.01 -1.14 0.00 0.00 0.00 175.76 174.20 1win s GLN 39 N -2.50 3.52 0.21 0.00 2.00 -0.88 -3.17 119.66 118.84 1win s GLN 39 Ca -0.06 -0.56 0.09 0.00 -2.00 0.00 0.00 55.36 52.83 1win s GLN 39 Cb -0.02 -3.06 -0.05 0.00 0.80 0.00 0.00 33.01 30.68 1win s GLN 39 CO -0.04 -0.09 -0.18 0.54 -0.50 0.00 0.00 175.29 175.03 1win s VAL 40 N 1.24 2.01 0.04 1.34 0.11 -1.05 -1.06 120.40 123.02 1win s VAL 40 Ca 0.03 -2.16 -0.27 0.00 -2.93 0.00 0.00 61.98 56.66 1win s VAL 40 Cb -0.15 -2.06 0.07 0.00 -1.53 0.00 0.00 36.38 32.72 1win s VAL 40 CO 0.00 -0.42 0.63 -1.59 -3.33 0.00 0.00 175.10 170.39 1win s LYS 41 N -3.26 1.13 0.23 1.54 0.00 -1.18 -0.98 119.74 117.21 1win s LYS 41 Ca 0.22 -0.06 -0.30 0.00 0.00 0.00 0.00 55.97 55.83 1win s LYS 41 Cb -0.04 0.52 -0.10 0.00 0.00 0.00 0.00 37.83 38.22 1win s LYS 41 CO 0.09 -0.41 1.41 0.42 0.00 0.00 0.00 175.35 176.86 1win s ILE 42 N -2.24 2.81 1.00 3.79 -1.09 -1.17 -2.72 121.20 121.58 1win s ILE 42 Ca -0.06 0.67 -0.12 0.00 -2.23 0.00 0.00 60.65 58.90 1win s ILE 42 Cb -0.00 -3.43 0.19 0.00 -1.58 0.00 0.00 42.46 37.64 1win s ILE 42 CO 0.00 0.10 1.08 -0.04 -1.23 0.00 0.00 174.94 174.86 1win s MET 43 N -0.23 0.38 0.32 2.79 -1.94 -1.15 -4.76 119.30 114.72 1win s MET 43 Ca 0.59 0.69 0.05 0.00 -1.71 0.00 0.00 55.69 55.32 1win s MET 43 Cb -0.40 -1.72 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 1win s MET 43 CO 0.41 -2.81 0.46 0.99 -0.01 0.00 0.00 175.02 174.07 1win s THR 44 N -2.85 4.50 -0.25 2.05 2.01 -1.26 -4.99 115.64 114.85 1win s THR 44 Ca 0.65 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1win s THR 44 Cb -0.20 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1win s THR 44 CO 0.59 -0.25 -0.02 -1.83 -0.69 0.00 0.00 174.62 172.42 1win s GLU 45 N -4.16 3.09 -0.21 4.92 -1.05 -1.26 -4.98 118.70 115.04 1win s GLU 45 Ca 0.42 -0.82 -0.17 0.00 -0.15 0.00 0.00 54.97 54.24 1win s GLU 45 Cb -0.09 -3.10 -0.13 0.00 -0.44 0.00 0.00 34.13 30.36 1win s GLU 45 CO 0.31 -0.34 -0.05 1.17 0.95 0.00 0.00 175.26 177.30 1win n LYS 46 N 4.77 0.55 0.06 -4.83 0.00 -1.26 -4.92 118.16 112.52 1win n LYS 46 Ca -0.16 0.45 0.00 0.00 0.00 0.00 0.00 58.31 58.60 1win n LYS 46 Cb 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.87 1win n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1win n GLU 47 N -4.42 0.00 -4.17 1.64 1.02 -1.26 -5.08 120.64 108.37 1win n GLU 47 Ca -0.33 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.61 1win n GLU 47 Cb 0.66 -0.43 -0.16 0.00 -0.02 0.00 0.00 31.44 31.48 1win n GLU 47 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1win s LEU 48 N -6.89 1.34 -0.19 -4.62 1.43 -1.26 -5.02 118.68 103.47 1win s LEU 48 Ca 0.00 -0.13 0.15 0.00 -1.03 0.00 0.00 54.13 53.12 1win s LEU 48 Cb 0.00 -0.46 0.44 0.00 0.03 0.00 0.00 46.19 46.20 1win s LEU 48 CO 0.00 -0.05 1.19 -0.11 0.23 0.00 0.00 176.35 177.60 1win n LEU 49 N 4.05 2.70 0.00 1.79 -0.00 -1.26 -4.78 117.00 119.50 1win n LEU 49 Ca -0.25 -3.56 0.09 0.00 -0.00 0.00 0.00 56.01 52.30 1win n LEU 49 Cb 0.51 -0.23 0.52 0.00 -0.00 0.00 0.00 43.42 44.22 1win n LEU 49 CO 0.23 1.32 0.76 0.00 -0.00 0.00 0.00 177.39 179.70 1win n ALA 50 N -0.59 2.13 -0.03 1.96 0.00 -1.26 -1.35 120.51 121.37 1win n ALA 50 Ca 0.20 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 1win n ALA 50 Cb 0.88 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 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 1.62 0.00 0.00 3.04 -1.92 -3.30 116.25 115.70 1win h VAL 51 Ca 0.00 -2.41 -0.02 0.00 -1.01 0.00 0.00 66.70 63.26 1win h VAL 51 Cb 0.05 3.24 -0.00 0.00 -2.01 0.00 0.00 31.29 32.57 1win h VAL 51 CO 0.00 0.64 -1.50 0.00 -1.01 0.00 0.00 177.57 175.70 1win n ALA 52 N -2.69 2.59 0.28 3.17 0.00 -1.17 -3.54 120.51 119.15 1win n ALA 52 Ca -0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 1win n ALA 52 Cb 0.63 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.85 0.00 -0.05 0.00 4.81 -1.78 0.62 114.58 117.33 1win h GLU 54 Ca -0.07 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1win h GLU 54 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1win h GLU 54 CO 0.12 0.12 -0.49 0.37 -0.73 0.00 0.00 179.01 178.40 1win h GLN 55 N 0.00 0.14 0.00 1.92 5.75 -1.59 -3.37 115.11 117.96 1win h GLN 55 Ca -0.00 -0.07 -0.18 0.00 -0.15 0.00 0.00 58.65 58.25 1win h GLN 55 Cb 0.55 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 1win h GLN 55 CO 0.02 0.60 -1.45 1.19 -2.65 0.00 0.00 178.83 176.53 1win n PHE 56 N -3.96 0.00 -1.19 3.99 3.72 -0.65 -4.94 117.46 114.42 1win n PHE 56 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1win n PHE 56 Cb 0.52 -0.55 -0.03 0.00 -0.94 0.00 0.00 39.48 38.49 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 -4.04 -1.02 0.00 4.37 4.77 0.21 -1.00 117.00 120.30 1win n LEU 57 Ca -0.25 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1win n LEU 57 Cb 0.59 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1win n LEU 57 CO 0.08 -2.50 0.00 0.61 -1.33 0.00 0.00 177.39 174.25 1win n GLY 58 N 1.68 3.11 4.03 -0.72 0.00 -1.26 -4.84 105.19 107.19 1win n GLY 58 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.36 2.45 0.14 1.61 1.02 -0.17 -5.12 119.74 119.33 1win s LYS 59 Ca 0.00 -1.53 -0.01 0.00 0.02 0.00 0.00 55.97 54.45 1win s LYS 59 Cb 0.00 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1win s LYS 59 CO 0.00 -0.70 0.33 -0.80 -0.92 0.00 0.00 175.35 173.26 1win s ASN 60 N -4.58 6.40 0.65 2.83 0.01 -1.26 -4.96 114.94 114.03 1win s ASN 60 Ca 0.60 0.39 0.25 0.00 -0.71 0.00 0.00 52.86 53.39 1win s ASN 60 Cb -0.07 -2.01 1.35 0.00 0.41 0.00 0.00 41.25 40.93 1win s ASN 60 CO 0.37 0.05 1.76 -0.37 -1.51 0.00 0.00 177.10 177.41 1win h VAL 61 N 1.83 0.06 -0.21 1.60 -1.51 -1.99 0.26 116.25 116.29 1win h VAL 61 Ca -0.47 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 64.82 1win h VAL 61 Cb 1.18 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1win h VAL 61 CO 0.71 0.00 -0.59 1.56 -1.23 0.00 0.00 177.57 178.02 1win h GLN 62 N 0.00 0.78 -0.74 5.19 4.20 -2.01 -2.96 115.11 119.58 1win h GLN 62 Ca 0.05 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.19 1win h GLN 62 Cb 1.01 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 1win h GLN 62 CO -0.00 1.17 0.40 -0.44 -0.67 0.00 0.00 178.83 179.29 1win h ASP 63 N 0.51 0.91 0.43 1.46 5.19 -0.86 -2.87 116.42 121.19 1win h ASP 63 Ca -0.01 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1win h ASP 63 Cb 1.21 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1win h ASP 63 CO 0.13 0.73 -0.21 0.40 -3.12 0.00 0.00 179.24 177.18 1win h ILE 64 N 1.03 0.00 -0.92 0.35 5.03 -1.52 -1.54 117.51 119.93 1win h ILE 64 Ca 0.26 -0.08 0.20 0.00 -0.12 0.00 0.00 64.86 65.12 1win h ILE 64 Cb 0.03 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 33.64 1win h ILE 64 CO -0.04 0.00 -0.18 0.29 -0.68 0.00 0.00 178.15 177.54 1win n LYS 65 N -3.77 -0.08 0.38 2.37 5.02 -1.12 -0.37 118.16 120.60 1win n LYS 65 Ca -0.07 1.43 -0.18 0.00 -2.02 0.00 0.00 58.31 57.46 1win n LYS 65 Cb 0.23 -2.16 -0.09 0.00 -0.02 0.00 0.00 35.03 32.99 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 -0.37 4.39 2.35 -1.48 -0.20 115.58 119.47 1win h ASN 66 Ca 0.47 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.29 1win h ASN 66 Cb 0.78 0.21 -0.08 0.00 0.05 0.00 0.00 38.32 39.27 1win h ASN 66 CO -0.93 -0.56 -0.51 0.58 -1.65 0.00 0.00 177.43 174.36 1win h VAL 67 N -0.97 0.04 -0.46 2.81 2.07 0.37 0.33 116.25 120.43 1win h VAL 67 Ca -0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1win h VAL 67 Cb 0.73 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1win h VAL 67 CO 0.16 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.47 1win h VAL 68 N -0.40 0.81 -0.84 2.57 2.07 -1.06 -1.31 116.25 118.09 1win h VAL 68 Ca 0.09 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1win h VAL 68 Cb 0.61 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1win h VAL 68 CO -0.57 0.05 0.55 0.25 0.02 0.00 0.00 177.57 177.88 1win h LEU 69 N 0.29 0.86 -0.48 2.57 5.85 0.19 -2.14 115.31 122.46 1win h LEU 69 Ca 0.22 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1win h LEU 69 Cb 0.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1win h LEU 69 CO -0.25 0.58 0.30 1.56 -0.34 0.00 0.00 178.44 180.28 1win h GLN 70 N 0.99 0.64 0.35 1.25 4.20 0.76 0.26 115.11 123.57 1win h GLN 70 Ca 0.35 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1win h GLN 70 Cb 0.11 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1win h GLN 70 CO -0.11 0.46 -0.40 1.15 -0.67 0.00 0.00 178.83 179.26 1win h THR 71 N 0.64 0.19 -0.56 -0.54 2.02 -0.90 0.61 112.91 114.37 1win h THR 71 Ca 0.17 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1win h THR 71 Cb -0.02 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1win h THR 71 CO -0.03 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.00 1win h LEU 72 N -0.79 0.78 0.01 2.58 3.38 -1.43 -2.89 115.31 116.95 1win h LEU 72 Ca -0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1win h LEU 72 Cb 0.72 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1win h LEU 72 CO -0.09 0.74 -0.01 -0.33 0.09 0.00 0.00 178.44 178.84 1win h GLU 73 N 0.77 -0.02 -0.74 1.13 5.08 -0.22 -2.10 114.58 118.48 1win h GLU 73 Ca 0.19 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.72 1win h GLU 73 Cb 0.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.33 1win h GLU 73 CO -0.01 -0.01 -0.09 0.41 -1.00 0.00 0.00 179.01 178.30 1win n GLY 74 N -0.65 -1.14 0.22 -3.84 0.00 0.21 0.18 105.19 100.18 1win n GLY 74 Ca -0.00 0.76 -0.07 0.00 0.00 0.00 0.00 46.02 46.71 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 0.70 -0.97 1.61 3.86 -1.50 -2.40 115.15 116.45 1win h HIS 75 Ca 0.40 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.76 1win h HIS 75 Cb 0.72 -0.23 -0.09 0.00 1.06 0.00 0.00 27.41 28.87 1win h HIS 75 CO -0.48 0.51 0.61 1.25 0.86 0.00 0.00 177.93 180.67 1win h LEU 76 N 0.69 0.75 -0.24 2.43 5.85 0.27 0.16 115.31 125.22 1win h LEU 76 Ca 0.18 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1win h LEU 76 Cb 0.03 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1win h LEU 76 CO -0.03 0.33 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.26 1win h ARG 77 N 0.77 0.46 -0.09 1.25 1.12 -0.91 -1.54 114.38 115.44 1win h ARG 77 Ca 0.52 -0.17 -0.01 0.00 -1.11 0.00 0.00 59.98 59.21 1win h ARG 77 Cb 0.80 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.72 1win h ARG 77 CO -0.29 0.68 0.03 1.03 -3.11 0.00 0.00 179.97 178.31 1win h SER 78 N 0.21 0.13 -0.78 -3.80 0.87 -0.87 -0.26 113.55 109.05 1win h SER 78 Ca 0.06 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1win h SER 78 Cb 0.50 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1win h SER 78 CO 0.02 0.29 0.52 0.40 -0.53 0.00 0.00 176.83 177.53 1win h ILE 79 N -0.03 1.15 -0.04 2.23 1.08 -0.76 -1.66 117.51 119.48 1win h ILE 79 Ca 0.03 -0.34 -0.15 0.00 -0.39 0.00 0.00 64.86 64.01 1win h ILE 79 Cb 0.20 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1win h ILE 79 CO -0.00 0.18 -0.65 0.25 -0.69 0.00 0.00 178.15 177.24 1win h LEU 80 N 0.99 0.20 -0.12 1.44 6.46 -1.06 -2.86 115.31 120.36 1win h LEU 80 Ca 0.30 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1win h LEU 80 Cb -0.02 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1win h LEU 80 CO -0.08 0.79 0.07 1.23 -0.62 0.00 0.00 178.44 179.83 1win h GLY 81 N 1.65 0.17 2.00 3.75 0.00 -0.08 -2.31 103.07 108.25 1win h GLY 81 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1win h GLY 81 CO 0.10 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.71 1win h THR 82 N 0.11 0.00 -2.86 4.70 1.03 -1.52 -2.24 112.91 112.13 1win h THR 82 Ca 0.04 -0.39 -0.67 0.00 -0.01 0.00 0.00 66.41 65.38 1win h THR 82 Cb 0.05 1.25 -0.10 0.00 -1.07 0.00 0.00 68.15 68.29 1win h THR 82 CO -0.01 0.00 -0.52 -0.76 -0.01 0.00 0.00 175.52 174.22 1win s LEU 83 N -4.93 4.15 0.42 0.00 1.43 -0.87 -4.83 118.68 114.05 1win s LEU 83 Ca 0.05 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1win s LEU 83 Cb 0.10 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 1win s LEU 83 CO 0.49 0.39 0.81 0.42 0.23 0.00 0.00 176.35 178.69 1win s THR 84 N -0.92 4.72 0.20 5.49 -4.23 -1.26 -2.92 115.64 116.72 1win s THR 84 Ca 0.14 0.78 -0.22 0.00 -1.18 0.00 0.00 61.69 61.20 1win s THR 84 Cb -0.12 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.13 1win s THR 84 CO 0.03 -0.52 1.55 0.58 -0.54 0.00 0.00 174.62 175.73 1win h VAL 85 N 1.16 0.01 0.06 2.29 2.07 -1.94 -0.18 116.25 119.72 1win h VAL 85 Ca -0.47 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1win h VAL 85 Cb 1.19 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1win h VAL 85 CO 0.63 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 177.44 1win h GLU 86 N -0.02 -0.62 -1.05 1.57 5.08 -1.99 -0.86 114.58 116.68 1win h GLU 86 Ca 0.27 0.04 0.36 0.00 -1.00 0.00 0.00 59.36 59.04 1win h GLU 86 Cb 0.54 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.77 1win h GLU 86 CO -0.95 -0.42 0.60 1.96 -1.00 0.00 0.00 179.01 179.21 1win h GLN 87 N -0.65 0.20 0.21 2.33 4.20 -1.44 0.24 115.11 120.20 1win h GLN 87 Ca 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1win h GLN 87 Cb 0.69 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1win h GLN 87 CO -0.29 0.14 -0.10 0.82 -0.67 0.00 0.00 178.83 178.72 1win h ILE 88 N 0.21 0.00 -0.40 2.54 2.04 -0.31 -3.09 117.51 118.50 1win h ILE 88 Ca 0.77 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 66.63 1win h ILE 88 Cb 1.94 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.93 1win h ILE 88 CO -0.61 0.00 -0.26 1.88 0.00 0.00 0.00 178.15 179.15 1win h TYR 89 N -0.36 -0.70 -0.55 1.37 0.05 -0.65 -2.53 116.97 113.61 1win h TYR 89 Ca -0.03 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.85 1win h TYR 89 Cb 0.21 0.37 -0.07 0.00 1.01 0.00 0.00 36.73 38.25 1win h TYR 89 CO 0.12 -0.34 -0.32 1.04 -1.05 0.00 0.00 178.16 177.61 1win n GLN 90 N -5.40 -0.24 -3.91 4.88 1.13 0.75 -3.94 117.38 110.65 1win n GLN 90 Ca 0.02 1.16 -0.30 0.00 -1.94 0.00 0.00 57.00 55.93 1win n GLN 90 Cb 0.32 -1.71 -0.15 0.00 0.11 0.00 0.00 30.24 28.80 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 -4.51 4.05 0.00 1.08 -1.08 -0.96 -4.99 116.67 110.26 1win s ASP 91 Ca -0.07 -1.46 -0.20 0.00 -0.52 0.00 0.00 52.55 50.31 1win s ASP 91 Cb 0.06 -1.19 -0.25 0.00 -1.46 0.00 0.00 42.92 40.08 1win s ASP 91 CO 0.34 -0.30 1.06 0.03 0.52 0.00 0.00 175.17 176.82 1win h ARG 92 N 7.92 0.42 -0.52 4.34 3.08 -1.66 -3.14 114.38 124.81 1win h ARG 92 Ca -0.14 -0.50 0.08 0.00 0.07 0.00 0.00 59.98 59.50 1win h ARG 92 Cb 1.05 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.18 1win h ARG 92 CO 0.44 1.16 0.14 0.22 -1.07 0.00 0.00 179.97 180.86 1win h ASP 93 N -0.11 0.07 0.28 7.04 3.58 -1.94 -1.58 116.42 123.76 1win h ASP 93 Ca -0.10 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1win h ASP 93 Cb 1.44 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.59 1win h ASP 93 CO 0.14 0.06 -0.17 -0.61 -2.88 0.00 0.00 179.24 175.78 1win h GLN 94 N 0.28 -0.41 -0.94 0.28 5.75 -1.96 -0.75 115.11 117.37 1win h GLN 94 Ca 0.26 0.03 0.16 0.00 -0.15 0.00 0.00 58.65 58.95 1win h GLN 94 Cb 0.34 0.09 -0.16 0.00 1.07 0.00 0.00 27.48 28.81 1win h GLN 94 CO -0.31 -0.27 -0.32 0.35 -2.65 0.00 0.00 178.83 175.62 1win h PHE 95 N -0.42 -0.83 -0.68 3.99 3.57 -1.48 0.57 116.94 121.66 1win h PHE 95 Ca -0.04 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1win h PHE 95 Cb 0.34 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 1win h PHE 95 CO 0.04 -0.40 0.35 0.00 -2.23 0.00 0.00 178.31 176.07 1win h ALA 96 N 1.58 0.91 -0.37 2.41 0.00 -1.19 -2.21 119.26 120.39 1win h ALA 96 Ca 0.38 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1win h ALA 96 Cb 0.63 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1win h ALA 96 CO -0.96 -0.00 0.16 -0.22 0.00 0.00 0.00 179.25 178.24 1win h LYS 97 N 0.64 0.33 0.00 0.00 3.64 0.16 0.31 116.57 121.65 1win h LYS 97 Ca 0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1win h LYS 97 Cb 0.26 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1win h LYS 97 CO -0.22 0.22 0.08 1.28 -2.27 0.00 0.00 179.45 178.54 1win n LEU 98 N -4.97 0.39 -0.06 5.20 4.32 -0.42 -0.27 117.00 121.19 1win n LEU 98 Ca 0.01 0.65 -0.17 0.00 -0.02 0.00 0.00 56.01 56.48 1win n LEU 98 Cb 0.11 -0.68 -0.13 0.00 -1.62 0.00 0.00 43.42 41.10 1win n LEU 98 CO 0.29 -0.78 -1.02 0.52 -1.22 0.00 0.00 177.39 175.18 1win n VAL 99 N -2.03 1.61 0.07 4.08 0.31 0.01 -3.55 118.33 118.83 1win n VAL 99 Ca -0.01 -0.66 -0.20 0.00 -0.01 0.00 0.00 64.34 63.45 1win n VAL 99 Cb 0.10 -1.39 -0.11 0.00 -0.91 0.00 0.00 33.84 31.53 1win n VAL 99 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1win h ARG 100 N 0.03 0.62 -0.17 5.55 0.11 -0.25 -2.10 114.38 118.17 1win h ARG 100 Ca -0.48 -0.75 -0.11 0.00 0.10 0.00 0.00 59.98 58.74 1win h ARG 100 Cb 2.01 0.23 -0.01 0.00 1.11 0.00 0.00 29.97 33.31 1win h ARG 100 CO 0.01 1.32 -0.39 1.05 0.10 0.00 0.00 179.97 182.07 1win h GLU 101 N 0.31 0.37 0.00 0.08 4.11 -0.85 0.51 114.58 119.11 1win h GLU 101 Ca -0.15 -0.17 -0.18 0.00 0.07 0.00 0.00 59.36 58.93 1win h GLU 101 Cb 1.79 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.01 1win h GLU 101 CO 0.22 0.70 -0.85 -0.24 0.07 0.00 0.00 179.01 178.90 1win h VAL 102 N 0.31 1.54 0.04 -1.06 3.04 -1.61 -3.30 116.25 115.22 1win h VAL 102 Ca 0.03 -3.00 -0.29 0.00 -1.01 0.00 0.00 66.70 62.43 1win h VAL 102 Cb 0.82 2.65 -0.03 0.00 -2.01 0.00 0.00 31.29 32.72 1win h VAL 102 CO 0.07 0.84 -1.60 0.00 -1.01 0.00 0.00 177.57 175.86 1win h ALA 103 N 1.15 0.55 -0.76 3.17 0.00 -1.19 -3.35 119.26 118.83 1win h ALA 103 Ca -0.01 -1.29 0.08 0.00 0.00 0.00 0.00 54.91 53.69 1win h ALA 103 Cb 1.58 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 19.64 1win h ALA 103 CO 0.11 1.40 -0.55 0.00 0.00 0.00 0.00 179.25 180.21 1win h ALA 104 N 0.76 -0.55 0.00 0.00 0.00 -0.06 0.99 119.26 120.39 1win h ALA 104 Ca -0.25 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1win h ALA 104 Cb 1.98 1.22 0.00 0.00 0.00 0.00 0.00 17.79 21.00 1win h ALA 104 CO 0.11 -0.96 0.00 -0.35 0.00 0.00 0.00 179.25 178.05 1win n PRO 105 N -5.32 0.06 -0.06 0.00 -0.04 -1.26 -3.07 135.00 125.30 1win n PRO 105 Ca 0.01 0.23 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1win n PRO 105 Cb 0.31 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1win n PRO 105 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1win n ASP 106 N -1.44 1.58 -0.34 3.54 9.92 0.30 -4.32 116.55 125.78 1win n ASP 106 Ca 0.04 0.59 0.23 0.00 -0.53 0.00 0.00 54.79 55.12 1win n ASP 106 Cb 0.15 -0.82 0.49 0.00 -0.64 0.00 0.00 41.12 40.30 1win n ASP 106 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1win h VAL 107 N -0.87 0.45 -1.25 2.53 -1.51 -0.41 0.17 116.25 115.36 1win h VAL 107 Ca 0.00 -0.13 0.36 0.00 -1.23 0.00 0.00 66.70 65.70 1win h VAL 107 Cb 0.45 0.02 -0.05 0.00 -2.13 0.00 0.00 31.29 29.58 1win h VAL 107 CO 0.00 0.07 1.02 1.23 -1.23 0.00 0.00 177.57 178.66 1win h GLY 108 N 0.39 0.00 0.94 5.19 0.00 -1.51 0.26 103.07 108.34 1win h GLY 108 Ca 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.95 1win h GLY 108 CO -0.39 0.00 -0.33 3.21 0.00 0.00 0.00 176.54 179.03 1win h ARG 109 N 0.00 -0.88 -0.21 4.80 3.08 -0.88 -2.99 114.38 117.30 1win h ARG 109 Ca 0.59 0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.64 1win h ARG 109 Cb 2.62 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 32.86 1win h ARG 109 CO -0.01 -0.56 -0.14 0.00 -1.07 0.00 0.00 179.97 178.19 1win h MET 110 N -0.99 0.35 0.00 0.04 -0.00 -1.16 -3.44 114.93 109.73 1win h MET 110 Ca -0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 1win h MET 110 Cb 0.72 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 1win h MET 110 CO 0.15 0.49 0.00 0.41 -0.00 0.00 0.00 176.91 177.96 1win n GLY 111 N -0.75 1.99 3.38 -3.00 0.00 -0.65 -3.46 105.19 102.70 1win n GLY 111 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.57 -0.14 -0.61 -1.09 -1.10 -2.93 121.20 115.91 1win s ILE 112 Ca 0.00 -0.90 -0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1win s ILE 112 Cb 0.00 -1.97 -0.01 0.00 -1.58 0.00 0.00 42.46 38.90 1win s ILE 112 CO 0.00 0.58 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.47 1win s GLU 113 N -0.53 3.38 0.34 2.79 2.56 -1.10 -3.23 118.70 122.91 1win s GLU 113 Ca 0.07 -0.68 -0.24 0.00 0.00 0.00 0.00 54.97 54.12 1win s GLU 113 Cb -0.11 -2.67 -0.10 0.00 2.00 0.00 0.00 34.13 33.25 1win s GLU 113 CO 0.01 0.17 0.93 0.96 -0.56 0.00 0.00 175.26 176.77 1win s ILE 114 N 0.46 4.29 -0.23 -3.70 -5.25 -1.26 -3.12 121.20 112.39 1win s ILE 114 Ca -0.09 1.68 -0.13 0.00 -0.99 0.00 0.00 60.65 61.12 1win s ILE 114 Cb -0.16 -3.88 -0.09 0.00 2.95 0.00 0.00 42.46 41.28 1win s ILE 114 CO 0.04 0.02 -0.32 0.18 -1.79 0.00 0.00 174.94 173.07 1win n LEU 115 N 0.23 1.77 -3.60 0.37 4.77 -0.22 -5.00 117.00 115.33 1win n LEU 115 Ca 0.03 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1win n LEU 115 Cb 0.51 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1win n LEU 115 CO 0.42 0.32 0.28 -0.94 -1.33 0.00 0.00 177.39 176.15 1win s SER 116 N -6.93 -0.36 -0.07 -1.43 1.04 -1.21 -4.99 113.70 99.75 1win s SER 116 Ca -0.33 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 55.80 1win s SER 116 Cb 0.11 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.83 1win s SER 116 CO 0.42 -0.97 0.16 0.12 0.98 0.00 0.00 173.24 173.95 1win s PHE 117 N -3.81 -0.18 0.24 5.02 2.19 -1.26 -2.07 117.98 118.11 1win s PHE 117 Ca 0.04 0.54 -0.06 0.00 0.33 0.00 0.00 56.93 57.78 1win s PHE 117 Cb -0.00 -0.14 -0.02 0.00 -1.31 0.00 0.00 43.02 41.55 1win s PHE 117 CO -0.09 -0.21 0.33 0.99 1.83 0.00 0.00 175.22 178.07 1win s THR 118 N 1.57 0.00 -0.08 0.12 2.01 0.49 -4.68 115.64 115.07 1win s THR 118 Ca -0.05 -1.69 -0.09 0.00 0.31 0.00 0.00 61.69 60.18 1win s THR 118 Cb -0.12 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1win s THR 118 CO -0.06 0.00 0.21 -0.63 -0.69 0.00 0.00 174.62 173.45 1win s ILE 119 N -3.96 5.39 -0.01 1.82 -1.09 -1.26 -0.13 121.20 121.95 1win s ILE 119 Ca 0.31 0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 59.05 1win s ILE 119 Cb 0.03 -3.48 -0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1win s ILE 119 CO 0.12 0.59 -0.02 1.17 -1.23 0.00 0.00 174.94 175.56 1win n LYS 120 N 1.86 0.03 -3.77 2.79 3.00 -1.26 -4.71 118.16 116.10 1win n LYS 120 Ca -0.18 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.02 1win n LYS 120 Cb 0.54 -0.56 -0.10 0.00 0.00 0.00 0.00 35.03 34.91 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 -4.12 -0.27 -0.05 3.14 1.11 -1.26 -4.91 116.67 110.32 1win s ASP 121 Ca -0.02 0.42 0.01 0.00 0.18 0.00 0.00 52.55 53.14 1win s ASP 121 Cb 0.00 0.52 0.02 0.00 1.07 0.00 0.00 42.92 44.53 1win s ASP 121 CO 0.03 -0.23 -0.05 0.54 1.18 0.00 0.00 175.17 176.64 1win s VAL 122 N -0.39 0.56 0.25 -1.27 0.11 -1.26 -0.51 120.40 117.88 1win s VAL 122 Ca -0.05 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1win s VAL 122 Cb -0.03 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1win s VAL 122 CO 0.02 0.23 0.12 -0.72 -3.33 0.00 0.00 175.10 171.42 1win s TYR 123 N 0.95 1.41 -0.20 1.54 1.13 0.51 -4.99 117.35 117.69 1win s TYR 123 Ca -0.11 -1.30 -0.01 0.00 -1.41 0.00 0.00 57.07 54.25 1win s TYR 123 Cb -0.14 -0.76 0.01 0.00 -1.10 0.00 0.00 41.96 39.97 1win s TYR 123 CO -0.00 -0.49 -0.13 0.16 -2.51 0.00 0.00 175.55 172.57 1win s ASP 124 N -3.27 3.66 0.46 -0.18 1.47 -1.26 -0.47 116.67 117.08 1win s ASP 124 Ca 0.38 -0.61 0.13 0.00 1.18 0.00 0.00 52.55 53.62 1win s ASP 124 Cb 0.07 -1.58 1.06 0.00 -0.34 0.00 0.00 42.92 42.12 1win s ASP 124 CO 0.14 -0.02 2.06 0.11 0.68 0.00 0.00 175.17 178.14 1win h LYS 125 N 8.00 0.31 0.00 2.11 1.79 -1.94 -1.28 116.57 125.56 1win h LYS 125 Ca -0.42 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 57.95 1win h LYS 125 Cb 1.14 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1win h LYS 125 CO 0.62 0.21 -1.08 -0.39 -1.08 0.00 0.00 179.45 177.73 1win h VAL 126 N 0.32 0.28 -5.86 0.50 -1.51 -1.94 -3.48 116.25 104.56 1win h VAL 126 Ca 0.15 -1.53 -0.39 0.00 -1.23 0.00 0.00 66.70 63.70 1win h VAL 126 Cb 0.19 1.83 0.12 0.00 -2.13 0.00 0.00 31.29 31.30 1win h VAL 126 CO -0.03 0.16 -0.73 -0.67 -1.23 0.00 0.00 177.57 175.07 1win n ASP 127 N -2.84 -4.26 0.12 4.19 2.03 -0.49 -4.94 116.55 110.36 1win n ASP 127 Ca -0.04 -0.62 -0.09 0.00 0.52 0.00 0.00 54.79 54.56 1win n ASP 127 Cb 0.69 -4.83 -0.05 0.00 -0.72 0.00 0.00 41.12 36.20 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 -2.29 -0.35 -0.60 -0.67 3.20 -1.94 -3.05 116.97 111.28 1win h TYR 128 Ca -0.58 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.24 1win h TYR 128 Cb 1.36 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.72 1win h TYR 128 CO 0.49 -0.07 0.21 -0.07 -1.64 0.00 0.00 178.16 177.08 1win h LEU 129 N -1.02 0.85 -2.17 2.82 4.07 -1.98 -1.90 115.31 115.98 1win h LEU 129 Ca -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1win h LEU 129 Cb 0.44 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1win h LEU 129 CO 0.06 0.81 0.07 0.28 -1.08 0.00 0.00 178.44 178.59 1win h SER 130 N 0.84 0.00 -0.98 -0.43 0.02 -1.89 0.02 113.55 111.13 1win h SER 130 Ca 0.20 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.61 1win h SER 130 Cb 0.25 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.49 1win h SER 130 CO -0.01 0.00 0.66 -1.20 -1.14 0.00 0.00 176.83 175.14 1win n SER 131 N -2.70 4.24 -0.09 3.07 7.64 -0.71 -4.27 113.62 120.79 1win n SER 131 Ca -0.02 -3.64 -0.11 0.00 1.01 0.00 0.00 58.87 56.11 1win n SER 131 Cb 0.12 -0.85 -0.11 0.00 -1.01 0.00 0.00 64.21 62.37 1win n SER 131 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1win n LEU 132 N -1.12 1.63 0.00 -3.43 4.77 -0.01 -5.04 117.00 113.80 1win n LEU 132 Ca 0.60 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1win n LEU 132 Cb 1.52 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.41 1win n LEU 132 CO 0.62 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1win n GLY 133 N 2.32 0.43 3.65 -0.72 0.00 -1.26 -5.14 105.19 104.47 1win n GLY 133 Ca -0.31 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1win n GLY 133 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1win n LYS 134 N 0.00 1.45 -4.25 1.61 2.85 -1.26 -5.01 118.16 113.54 1win n LYS 134 Ca 0.00 0.53 -0.16 0.00 -1.05 0.00 0.00 58.31 57.62 1win n LYS 134 Cb 0.00 -2.23 -0.09 0.00 -0.65 0.00 0.00 35.03 32.06 1win n LYS 134 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1win s THR 135 N -1.31 0.02 0.50 0.58 -4.23 -1.26 -4.84 115.64 105.10 1win s THR 135 Ca 0.66 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.96 1win s THR 135 Cb -0.49 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 70.75 1win s THR 135 CO 0.54 0.00 0.75 0.00 -0.54 0.00 0.00 174.62 175.37 1win n GLN 136 N -0.48 0.83 0.05 3.99 0.00 -1.26 -4.91 117.38 115.60 1win n GLN 136 Ca 0.05 0.31 -0.03 0.00 0.00 0.00 0.00 57.00 57.33 1win n GLN 136 Cb 0.64 -1.84 -0.08 0.00 0.00 0.00 0.00 30.24 28.96 1win n GLN 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1win h THR 137 N 0.78 0.92 -3.98 -0.39 1.03 -2.05 -3.48 112.91 105.74 1win h THR 137 Ca -0.45 -2.52 -0.12 0.00 -0.01 0.00 0.00 66.41 63.31 1win h THR 137 Cb 1.38 2.38 -0.12 0.00 -1.07 0.00 0.00 68.15 70.72 1win h THR 137 CO 0.51 0.52 -0.33 -0.55 -0.01 0.00 0.00 175.52 175.67 1win s SER 138 N -6.19 0.03 0.25 0.00 0.15 -1.26 -5.19 113.70 101.49 1win s SER 138 Ca -0.01 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 55.63 1win s SER 138 Cb 0.09 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1win s SER 138 CO 0.80 -0.96 0.15 -0.83 1.20 0.00 0.00 173.24 173.60 1win s GLY 139 N -3.03 1.73 0.00 9.45 0.00 -1.26 -5.02 107.32 109.19 1win s GLY 139 Ca 0.24 -1.79 0.15 0.00 0.00 0.00 0.00 44.72 43.32 1win s GLY 139 CO 0.06 -1.49 1.39 -1.55 0.00 0.00 0.00 173.10 171.51 1win n PRO 140 N -0.42 0.27 -0.32 2.90 -0.04 -1.26 -3.92 135.00 132.21 1win n PRO 140 Ca 0.02 0.12 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 1win n PRO 140 Cb 0.65 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.67 1win n PRO 140 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1win n SER 141 N -1.22 -0.47 -4.47 3.54 7.64 -1.26 -4.53 113.62 112.85 1win n SER 141 Ca 0.08 1.47 -0.23 0.00 1.01 0.00 0.00 58.87 61.21 1win n SER 141 Cb 0.10 -0.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 1win n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1win s SER 142 N -5.28 3.00 0.00 6.43 0.01 -1.25 -5.33 113.70 111.28 1win s SER 142 Ca -0.12 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1win s SER 142 Cb 0.19 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1win s SER 142 CO 0.62 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.54