#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 6.41 -1.52 1.61 1.04 -1.26 -4.37 113.70 115.61 1win s SER 2 Ca 0.00 0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1win s SER 2 Cb 0.00 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.83 1win s SER 2 CO 0.00 -0.55 0.07 -1.20 0.98 0.00 0.00 173.24 172.54 1win n SER 3 N 5.95 0.61 -3.84 7.02 7.64 -1.26 -4.89 113.62 124.85 1win n SER 3 Ca -0.02 -1.22 -0.29 0.00 1.01 0.00 0.00 58.87 58.34 1win n SER 3 Cb 0.49 -1.52 -0.13 0.00 -1.01 0.00 0.00 64.21 62.03 1win n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1win s GLY 4 N -4.19 2.24 -0.09 0.23 0.00 -1.26 -5.08 107.32 99.17 1win s GLY 4 Ca 0.09 -3.13 0.04 0.00 0.00 0.00 0.00 44.72 41.72 1win s GLY 4 CO 0.96 1.24 -0.24 -0.56 0.00 0.00 0.00 173.10 174.50 1win s SER 5 N -0.30 3.08 -0.14 1.64 0.01 -1.26 -4.44 113.70 112.29 1win s SER 5 Ca 0.19 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1win s SER 5 Cb -0.20 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.74 1win s SER 5 CO -0.04 0.17 -0.21 -0.55 0.41 0.00 0.00 173.24 173.03 1win s SER 6 N 0.25 3.01 0.00 2.44 0.15 -1.26 -4.86 113.70 113.43 1win s SER 6 Ca -0.16 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1win s SER 6 Cb -0.17 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1win s SER 6 CO 0.08 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1win n GLY 7 N 4.17 -0.09 3.72 9.45 0.00 -1.26 -4.99 105.19 116.18 1win n GLY 7 Ca -0.20 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1win n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1win n GLN 8 N 0.00 -0.82 -3.77 1.61 10.64 -1.26 -4.86 117.38 118.92 1win n GLN 8 Ca 0.00 0.09 -0.25 0.00 -1.83 0.00 0.00 57.00 55.02 1win n GLN 8 Cb 0.00 -3.25 -0.17 0.00 -0.86 0.00 0.00 30.24 25.96 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 -5.64 0.69 0.40 2.61 6.06 -1.26 -5.07 118.95 116.74 1win s ARG 9 Ca 0.49 -0.11 -0.25 0.00 -2.50 0.00 0.00 55.73 53.36 1win s ARG 9 Cb -0.29 -1.43 -0.11 0.00 0.06 0.00 0.00 34.95 33.19 1win s ARG 9 CO 0.74 -0.42 1.10 1.51 -2.50 0.00 0.00 175.30 175.73 1win n ILE 10 N 5.10 2.38 -3.70 4.11 0.13 -1.26 -4.97 119.36 121.15 1win n ILE 10 Ca -0.08 -0.50 -0.36 0.00 -1.10 0.00 0.00 62.75 60.71 1win n ILE 10 Cb 0.49 -1.28 -0.06 0.00 -0.84 0.00 0.00 39.64 37.96 1win n ILE 10 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1win s SER 11 N -0.63 6.57 -0.11 9.51 1.04 -1.26 -5.00 113.70 123.83 1win s SER 11 Ca 0.61 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.67 1win s SER 11 Cb -0.56 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 1win s SER 11 CO 0.58 0.31 -0.14 0.18 0.98 0.00 0.00 173.24 175.15 1win n LEU 12 N 1.52 0.78 -3.76 2.42 4.77 -1.26 -4.64 117.00 116.83 1win n LEU 12 Ca -0.14 0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1win n LEU 12 Cb 0.53 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1win n LEU 12 CO 0.37 0.20 -0.43 -1.84 -1.33 0.00 0.00 177.39 174.36 1win n GLU 13 N -3.49 0.00 -1.96 3.23 0.28 -1.26 -4.04 120.64 113.40 1win n GLU 13 Ca -0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.38 1win n GLU 13 Cb 0.64 -0.88 -0.03 0.00 1.43 0.00 0.00 31.44 32.60 1win n GLU 13 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1win s ILE 14 N -1.55 2.60 -0.13 3.84 1.01 -1.26 -4.58 121.20 121.12 1win s ILE 14 Ca 0.51 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.59 1win s ILE 14 Cb -0.53 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1win s ILE 14 CO 0.56 0.06 0.01 -0.04 0.00 0.00 0.00 174.94 175.53 1win s MET 15 N 0.37 3.47 -0.51 2.79 -1.94 0.16 -4.99 119.30 118.65 1win s MET 15 Ca 0.65 -0.41 -0.20 0.00 -1.71 0.00 0.00 55.69 54.01 1win s MET 15 Cb -0.43 -2.96 0.05 0.00 2.01 0.00 0.00 34.83 33.50 1win s MET 15 CO 0.38 0.46 0.70 0.99 -0.01 0.00 0.00 175.02 177.54 1win s THR 16 N -0.19 4.75 -0.22 2.05 2.01 -1.26 -0.96 115.64 121.82 1win s THR 16 Ca 0.05 -0.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 1win s THR 16 Cb -0.12 -4.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 1win s THR 16 CO 0.02 -0.85 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.32 1win s LEU 17 N 2.97 3.06 -0.56 4.42 1.02 -0.82 -4.98 118.68 123.78 1win s LEU 17 Ca 0.20 -0.33 -0.11 0.00 0.02 0.00 0.00 54.13 53.90 1win s LEU 17 Cb -0.17 -1.79 0.14 0.00 0.02 0.00 0.00 46.19 44.39 1win s LEU 17 CO 0.14 -0.01 0.47 -1.10 0.02 0.00 0.00 176.35 175.87 1win s GLN 18 N 1.46 2.82 -0.91 1.70 1.11 -1.26 -2.10 119.66 122.47 1win s GLN 18 Ca 0.05 -1.93 -0.25 0.00 0.01 0.00 0.00 55.36 53.24 1win s GLN 18 Cb -0.14 -4.10 -0.05 0.00 -1.01 0.00 0.00 33.01 27.70 1win s GLN 18 CO -0.01 -1.25 1.95 -1.25 0.01 0.00 0.00 175.29 174.74 1win s PRO 19 N 1.10 2.55 -0.10 2.91 0.04 -1.25 -4.89 135.00 135.36 1win s PRO 19 Ca 0.08 -0.30 -0.05 0.00 0.04 0.00 0.00 61.00 60.76 1win s PRO 19 Cb -0.24 -5.06 -0.04 0.00 0.04 0.00 0.00 34.50 29.20 1win s PRO 19 CO -0.01 -3.40 0.12 -0.98 0.04 0.00 0.00 177.00 172.77 1win s ARG 20 N 7.01 3.36 -0.02 4.56 1.70 -1.00 -4.11 118.95 130.44 1win s ARG 20 Ca 0.70 -0.21 -0.01 0.00 -0.47 0.00 0.00 55.73 55.75 1win s ARG 20 Cb -0.07 -3.11 0.02 0.00 -0.57 0.00 0.00 34.95 31.22 1win s ARG 20 CO -0.00 0.75 0.05 0.00 -1.08 0.00 0.00 175.30 175.01 1win s GLU 22 N 0.56 1.06 -0.72 0.00 4.04 -1.26 -2.19 118.70 120.20 1win s GLU 22 Ca -0.05 -1.28 -0.00 0.00 0.04 0.00 0.00 54.97 53.68 1win s GLU 22 Cb -0.06 -0.94 -0.00 0.00 0.02 0.00 0.00 34.13 33.14 1win s GLU 22 CO -0.02 0.18 0.60 -3.47 -1.84 0.00 0.00 175.26 170.71 1win n ASP 23 N 0.44 -2.30 -3.91 0.83 2.03 -1.23 -5.01 116.55 107.40 1win n ASP 23 Ca -0.15 -0.38 -0.30 0.00 0.52 0.00 0.00 54.79 54.48 1win n ASP 23 Cb 0.57 -3.31 -0.14 0.00 -0.72 0.00 0.00 41.12 37.52 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 -3.22 2.15 0.05 5.18 -7.23 -1.24 -4.93 120.40 111.17 1win s VAL 24 Ca 0.03 -2.76 -0.36 0.00 -1.81 0.00 0.00 61.98 57.08 1win s VAL 24 Cb -0.00 -2.53 -0.15 0.00 0.56 0.00 0.00 36.38 34.26 1win s VAL 24 CO 0.44 -0.75 1.56 -0.62 -0.31 0.00 0.00 175.10 175.42 1win n GLU 25 N 3.64 1.71 -0.75 4.82 1.02 -1.26 -2.47 120.64 127.36 1win n GLU 25 Ca 0.05 0.62 -0.22 0.00 -0.02 0.00 0.00 57.16 57.59 1win n GLU 25 Cb 0.36 -2.35 0.19 0.00 -0.02 0.00 0.00 31.44 29.62 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 3.48 0.00 -0.09 2.62 -2.24 0.15 -4.51 114.28 113.69 1win n THR 26 Ca 0.19 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1win n THR 26 Cb 0.24 -1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 67.27 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 -2.58 -0.44 -0.11 6.98 0.00 0.17 -2.32 119.26 120.95 1win h ALA 27 Ca -0.30 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1win h ALA 27 Cb 0.93 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1win h ALA 27 CO 0.20 -0.86 0.03 1.05 0.00 0.00 0.00 179.25 179.66 1win h GLU 28 N -0.37 0.18 0.00 0.00 4.11 -1.82 -3.47 114.58 113.21 1win h GLU 28 Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1win h GLU 28 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1win h GLU 28 CO -0.51 0.35 0.00 0.41 0.07 0.00 0.00 179.01 179.33 1win n GLY 29 N -0.50 -0.21 2.73 1.06 0.00 -0.87 -5.15 105.19 102.25 1win n GLY 29 Ca -0.06 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 0.50 -0.15 1.61 1.01 -1.26 -4.72 120.40 117.39 1win s VAL 30 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1win s VAL 30 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1win s VAL 30 CO 0.00 -0.19 1.66 0.00 0.00 0.00 0.00 175.10 176.58 1win s ALA 31 N 1.87 3.38 0.35 5.51 0.00 -1.26 0.30 121.76 131.91 1win s ALA 31 Ca -0.01 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1win s ALA 31 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1win s ALA 31 CO -0.08 -1.77 0.13 -0.51 0.00 0.00 0.00 175.76 173.53 1win s LEU 32 N 4.90 3.21 -0.26 0.00 2.01 -1.03 -4.22 118.68 123.30 1win s LEU 32 Ca 0.74 -0.83 0.01 0.00 0.01 0.00 0.00 54.13 54.06 1win s LEU 32 Cb -0.29 -1.66 0.07 0.00 0.01 0.00 0.00 46.19 44.33 1win s LEU 32 CO 0.30 -0.31 -0.01 -0.89 1.01 0.00 0.00 176.35 176.44 1win s THR 33 N -2.45 1.50 -0.33 5.49 2.01 0.24 -3.48 115.64 118.63 1win s THR 33 Ca 0.38 -1.38 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1win s THR 33 Cb -0.02 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.65 1win s THR 33 CO 0.22 -0.25 0.10 -0.69 -0.69 0.00 0.00 174.62 173.30 1win s VAL 34 N 1.38 3.82 0.12 3.82 1.01 -0.93 -0.55 120.40 129.06 1win s VAL 34 Ca -0.01 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 1win s VAL 34 Cb -0.19 -3.11 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 1win s VAL 34 CO -0.09 -0.10 1.76 0.74 0.00 0.00 0.00 175.10 177.40 1win h THR 35 N 6.09 0.99 -3.92 3.92 2.02 -1.60 -2.50 112.91 117.92 1win h THR 35 Ca -0.26 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1win h THR 35 Cb 1.09 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1win h THR 35 CO 0.60 0.03 -0.98 0.61 0.37 0.00 0.00 175.52 176.15 1win n GLY 36 N -1.14 -4.57 2.86 2.16 0.00 -1.26 -2.38 105.19 100.86 1win n GLY 36 Ca -0.04 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.09 -0.53 0.11 1.61 1.01 0.84 -3.80 120.40 115.55 1win s VAL 37 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1win s VAL 37 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1win s VAL 37 CO 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 175.10 174.72 1win s ALA 38 N 2.48 1.64 -0.18 5.51 0.00 -0.89 -1.47 121.76 128.84 1win s ALA 38 Ca 0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1win s ALA 38 Cb -0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1win s ALA 38 CO -0.19 0.26 0.01 -1.14 0.00 0.00 0.00 175.76 174.71 1win s GLN 39 N -2.09 3.77 0.23 0.00 0.74 -0.88 -1.95 119.66 119.47 1win s GLN 39 Ca 0.06 -0.46 0.09 0.00 0.05 0.00 0.00 55.36 55.11 1win s GLN 39 Cb -0.09 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.90 1win s GLN 39 CO 0.04 0.19 -0.17 0.54 -0.55 0.00 0.00 175.29 175.34 1win s VAL 40 N 0.55 2.03 -0.06 1.34 0.11 -0.13 -1.51 120.40 122.73 1win s VAL 40 Ca -0.00 -2.27 -0.14 0.00 -2.93 0.00 0.00 61.98 56.63 1win s VAL 40 Cb -0.14 -2.13 0.03 0.00 -1.53 0.00 0.00 36.38 32.61 1win s VAL 40 CO 0.02 -0.50 0.34 -1.59 -3.33 0.00 0.00 175.10 170.03 1win s LYS 41 N -3.55 0.59 0.02 1.54 -2.85 -1.21 0.38 119.74 114.66 1win s LYS 41 Ca 0.25 0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 54.98 1win s LYS 41 Cb -0.03 0.27 -0.07 0.00 -2.06 0.00 0.00 37.83 35.95 1win s LYS 41 CO 0.10 -0.14 1.54 0.42 0.10 0.00 0.00 175.35 177.37 1win s ILE 42 N -0.78 3.42 1.28 3.79 -1.09 -1.26 -3.64 121.20 122.92 1win s ILE 42 Ca -0.09 0.78 -0.19 0.00 -2.23 0.00 0.00 60.65 58.93 1win s ILE 42 Cb -0.04 -3.50 0.32 0.00 -1.58 0.00 0.00 42.46 37.65 1win s ILE 42 CO 0.03 -0.01 1.01 -0.04 -1.23 0.00 0.00 174.94 174.70 1win s MET 43 N 2.78 -1.84 0.36 2.79 -1.94 -1.26 -4.95 119.30 115.26 1win s MET 43 Ca 0.69 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.90 1win s MET 43 Cb -0.35 -1.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.96 1win s MET 43 CO 0.29 -4.18 0.57 0.99 -0.01 0.00 0.00 175.02 172.68 1win s THR 44 N -2.58 4.99 -0.33 2.05 2.01 -1.26 -4.99 115.64 115.54 1win s THR 44 Ca 0.69 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1win s THR 44 Cb -0.15 -3.83 0.30 0.00 0.01 0.00 0.00 72.50 68.83 1win s THR 44 CO 0.59 -0.56 1.83 -1.84 -0.69 0.00 0.00 174.62 173.95 1win n GLU 45 N -1.84 1.84 -0.34 4.92 0.00 -1.26 -4.56 120.64 119.40 1win n GLU 45 Ca -0.04 -1.76 0.16 0.00 0.00 0.00 0.00 57.16 55.51 1win n GLU 45 Cb 0.56 -1.69 0.37 0.00 0.00 0.00 0.00 31.44 30.68 1win n GLU 45 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1win h LYS 46 N 1.18 0.63 -5.07 3.44 1.63 -2.03 -3.43 116.57 112.91 1win h LYS 46 Ca 0.34 -0.04 -0.63 0.00 -0.85 0.00 0.00 60.65 59.47 1win h LYS 46 Cb 1.33 -0.14 -0.13 0.00 -0.60 0.00 0.00 32.23 32.69 1win h LYS 46 CO 0.78 0.42 -0.50 -1.21 -3.45 0.00 0.00 179.45 175.50 1win s GLU 47 N -5.76 2.11 -0.98 1.90 0.41 -1.26 -5.01 118.70 110.11 1win s GLU 47 Ca -0.11 -2.34 -0.14 0.00 -0.41 0.00 0.00 54.97 51.97 1win s GLU 47 Cb 0.25 -1.01 -0.30 0.00 -1.78 0.00 0.00 34.13 31.29 1win s GLU 47 CO 0.80 -0.48 2.25 1.28 -0.49 0.00 0.00 175.26 178.62 1win n LEU 48 N -1.13 -1.02 0.04 1.80 7.99 -1.26 -4.67 117.00 118.76 1win n LEU 48 Ca -0.13 -0.36 0.14 0.00 -0.01 0.00 0.00 56.01 55.64 1win n LEU 48 Cb 0.66 -0.62 0.53 0.00 -0.11 0.00 0.00 43.42 43.88 1win n LEU 48 CO 0.35 -1.24 0.93 -0.11 -1.51 0.00 0.00 177.39 175.81 1win n LEU 49 N 6.63 0.32 -0.22 2.23 -0.00 -1.26 -3.86 117.00 120.83 1win n LEU 49 Ca 0.66 0.53 0.29 0.00 -0.00 0.00 0.00 56.01 57.49 1win n LEU 49 Cb 0.11 -0.43 0.45 0.00 -0.00 0.00 0.00 43.42 43.55 1win n LEU 49 CO 1.04 -0.08 1.26 0.00 -0.00 0.00 0.00 177.39 179.62 1win h ALA 50 N 2.81 2.99 -0.34 1.96 0.00 -1.97 0.48 119.26 125.18 1win h ALA 50 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1win h ALA 50 Cb 0.59 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1win h ALA 50 CO 0.00 -1.76 -0.00 -0.24 0.00 0.00 0.00 179.25 177.25 1win h VAL 51 N 0.00 0.75 0.00 0.00 3.04 -1.91 -3.18 116.25 114.95 1win h VAL 51 Ca 0.50 -0.03 -0.36 0.00 -1.01 0.00 0.00 66.70 65.80 1win h VAL 51 Cb 2.93 0.65 -0.07 0.00 -2.01 0.00 0.00 31.29 32.79 1win h VAL 51 CO -0.01 0.02 -2.34 0.00 -1.01 0.00 0.00 177.57 174.23 1win n ALA 52 N -2.49 1.52 -0.32 3.17 0.00 0.14 -4.05 120.51 118.49 1win n ALA 52 Ca 0.01 -1.25 -0.08 0.00 0.00 0.00 0.00 53.44 52.11 1win n ALA 52 Cb 0.18 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 0.74 -0.85 0.00 4.81 -1.80 0.36 114.58 117.85 1win h GLU 54 Ca 0.12 -0.49 0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1win h GLU 54 Cb 0.31 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1win h GLU 54 CO -0.71 1.12 0.57 0.37 -0.73 0.00 0.00 179.01 179.63 1win h GLN 55 N 0.56 0.39 0.00 1.92 4.15 -1.03 -3.15 115.11 117.95 1win h GLN 55 Ca 0.00 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.15 1win h GLN 55 Cb 1.18 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 1win h GLN 55 CO 0.12 0.26 -1.75 1.19 -1.93 0.00 0.00 178.83 176.72 1win n PHE 56 N -4.49 0.13 -0.92 3.99 3.72 0.15 -4.92 117.46 115.12 1win n PHE 56 Ca 0.18 0.05 -0.29 0.00 -0.05 0.00 0.00 57.45 57.34 1win n PHE 56 Cb 0.65 -0.80 0.01 0.00 -0.94 0.00 0.00 39.48 38.40 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 -4.36 -3.17 0.00 4.37 4.77 0.13 -1.12 117.00 117.61 1win n LEU 57 Ca -0.35 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1win n LEU 57 Cb 0.70 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1win n LEU 57 CO 0.11 -3.86 0.00 0.61 -1.33 0.00 0.00 177.39 172.93 1win n GLY 58 N 2.07 2.51 4.00 -0.72 0.00 -1.26 -4.89 105.19 106.91 1win n GLY 58 Ca 0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 1.65 0.33 1.61 1.02 -0.27 -5.12 119.74 118.96 1win s LYS 59 Ca 0.00 -1.28 0.07 0.00 0.02 0.00 0.00 55.97 54.78 1win s LYS 59 Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1win s LYS 59 CO 0.00 -1.46 0.37 0.54 -0.92 0.00 0.00 175.35 173.88 1win s ASN 60 N -4.78 5.64 0.21 2.83 2.20 -1.26 -4.84 114.94 114.95 1win s ASN 60 Ca 0.67 -0.33 -0.10 0.00 -0.94 0.00 0.00 52.86 52.16 1win s ASN 60 Cb -0.04 -1.14 0.31 0.00 -2.00 0.00 0.00 41.25 38.37 1win s ASN 60 CO 0.44 -0.36 1.69 -0.37 -2.94 0.00 0.00 177.10 175.56 1win h VAL 61 N 1.10 0.58 -0.55 3.54 -1.51 -1.97 -1.93 116.25 115.53 1win h VAL 61 Ca -0.46 -0.07 0.10 0.00 -1.23 0.00 0.00 66.70 65.04 1win h VAL 61 Cb 1.25 0.35 -0.11 0.00 -2.13 0.00 0.00 31.29 30.66 1win h VAL 61 CO 0.56 0.04 -0.35 1.56 -1.23 0.00 0.00 177.57 178.15 1win h GLN 62 N 0.21 -0.19 -0.46 5.19 7.50 -2.00 -2.10 115.11 123.27 1win h GLN 62 Ca 0.32 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.53 1win h GLN 62 Cb 0.50 0.04 -0.07 0.00 0.05 0.00 0.00 27.48 28.01 1win h GLN 62 CO -0.45 -0.13 -0.37 -0.44 -1.50 0.00 0.00 178.83 175.95 1win h ASP 63 N -0.19 -1.30 -0.59 1.46 3.32 -1.75 -1.47 116.42 115.89 1win h ASP 63 Ca 0.21 0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.50 1win h ASP 63 Cb 0.55 0.56 -0.08 0.00 0.22 0.00 0.00 39.33 40.58 1win h ASP 63 CO -0.65 -0.20 -0.46 0.40 -1.72 0.00 0.00 179.24 176.60 1win h ILE 64 N -0.13 0.00 -0.93 0.35 5.03 -1.39 0.27 117.51 120.72 1win h ILE 64 Ca 0.08 0.00 0.27 0.00 -0.12 0.00 0.00 64.86 65.08 1win h ILE 64 Cb 0.32 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 33.95 1win h ILE 64 CO -0.50 0.00 0.16 0.11 -0.68 0.00 0.00 178.15 177.24 1win h LYS 65 N -0.14 0.09 -0.13 2.37 6.56 -0.99 0.27 116.57 124.61 1win h LYS 65 Ca 0.10 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 1win h LYS 65 Cb 0.40 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1win h LYS 65 CO -0.63 0.06 -0.01 -0.91 -2.06 0.00 0.00 179.45 175.90 1win h ASN 66 N 0.09 0.23 0.19 0.86 2.35 0.38 -1.11 115.58 118.57 1win h ASN 66 Ca 0.59 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1win h ASN 66 Cb 1.26 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 1win h ASN 66 CO -0.78 0.50 -0.46 0.58 -1.65 0.00 0.00 177.43 175.62 1win h VAL 67 N -0.05 0.10 0.59 2.81 2.07 0.23 0.41 116.25 122.41 1win h VAL 67 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1win h VAL 67 Cb 0.39 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1win h VAL 67 CO 0.01 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.80 1win h VAL 68 N -0.74 0.23 -0.83 2.57 2.07 -1.10 -2.34 116.25 116.12 1win h VAL 68 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.73 1win h VAL 68 Cb 0.73 0.23 -0.14 0.00 -1.52 0.00 0.00 31.29 30.59 1win h VAL 68 CO -0.22 0.00 0.08 0.25 0.02 0.00 0.00 177.57 177.70 1win h LEU 69 N -0.92 -0.26 -0.61 2.57 5.85 -1.08 0.27 115.31 121.13 1win h LEU 69 Ca -0.07 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1win h LEU 69 Cb 0.75 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1win h LEU 69 CO 0.06 -0.19 0.35 1.56 -0.34 0.00 0.00 178.44 179.88 1win h GLN 70 N 0.13 0.66 -0.10 1.25 1.08 -0.63 -0.64 115.11 116.85 1win h GLN 70 Ca 0.48 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.67 1win h GLN 70 Cb 0.91 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 28.15 1win h GLN 70 CO -0.70 0.43 -0.42 1.15 -0.95 0.00 0.00 178.83 178.35 1win h THR 71 N 0.68 0.00 -0.17 -0.54 2.02 0.08 0.15 112.91 115.13 1win h THR 71 Ca 0.26 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1win h THR 71 Cb 0.10 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1win h THR 71 CO -0.14 0.00 0.09 -0.07 0.37 0.00 0.00 175.52 175.77 1win h LEU 72 N -0.45 0.14 -0.20 2.58 3.38 -1.38 -3.07 115.31 116.31 1win h LEU 72 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1win h LEU 72 Cb 0.52 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1win h LEU 72 CO -0.33 0.11 -0.54 -0.33 0.09 0.00 0.00 178.44 177.44 1win h GLU 73 N 0.19 -0.50 -0.85 1.13 5.08 -0.65 -1.73 114.58 117.25 1win h GLU 73 Ca 0.07 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 1win h GLU 73 Cb 0.01 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.25 1win h GLU 73 CO -0.04 -0.34 -0.50 0.78 -1.00 0.00 0.00 179.01 177.91 1win h GLY 74 N -0.52 -0.54 0.13 -3.84 0.00 -0.62 0.24 103.07 97.91 1win h GLY 74 Ca 0.04 0.67 0.14 0.00 0.00 0.00 0.00 47.33 48.18 1win h GLY 74 CO -0.47 -0.08 0.28 0.45 0.00 0.00 0.00 176.54 176.72 1win h HIS 75 N -0.09 0.47 -0.85 5.60 3.86 -1.34 -1.07 115.15 121.73 1win h HIS 75 Ca 0.20 0.04 0.21 0.00 -1.16 0.00 0.00 60.37 59.66 1win h HIS 75 Cb 0.51 -0.10 -0.15 0.00 1.06 0.00 0.00 27.41 28.74 1win h HIS 75 CO -0.89 0.04 0.03 1.25 0.86 0.00 0.00 177.93 179.22 1win h LEU 76 N 0.41 -0.36 0.00 2.43 5.85 0.35 -1.31 115.31 122.69 1win h LEU 76 Ca 0.41 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.35 1win h LEU 76 Cb 0.63 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1win h LEU 76 CO -0.41 -0.23 -0.00 -0.09 -0.34 0.00 0.00 178.44 177.37 1win h ARG 77 N 0.09 -0.00 -0.82 1.25 1.12 -1.01 -0.62 114.38 114.39 1win h ARG 77 Ca 0.48 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.43 1win h ARG 77 Cb 0.91 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.77 1win h ARG 77 CO -0.75 -0.00 -0.49 0.45 -3.11 0.00 0.00 179.97 176.07 1win n SER 78 N -2.11 -0.87 -0.24 -3.80 2.88 -0.92 0.17 113.62 108.72 1win n SER 78 Ca -0.00 1.55 0.19 0.00 -1.33 0.00 0.00 58.87 59.28 1win n SER 78 Cb 0.00 -0.23 0.51 0.00 -0.75 0.00 0.00 64.21 63.74 1win n SER 78 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1win h ILE 79 N 0.00 0.68 0.21 2.46 1.08 -1.27 -1.84 117.51 118.83 1win h ILE 79 Ca 0.13 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1win h ILE 79 Cb 0.34 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1win h ILE 79 CO -0.77 0.08 -0.10 0.25 -0.69 0.00 0.00 178.15 176.91 1win h LEU 80 N 0.41 -0.24 -0.53 1.44 6.46 0.33 -2.84 115.31 120.35 1win h LEU 80 Ca 0.47 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 1win h LEU 80 Cb 1.15 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 41.04 1win h LEU 80 CO -0.18 0.20 -0.41 1.23 -0.62 0.00 0.00 178.44 178.67 1win h GLY 81 N -0.76 -0.40 2.00 3.75 0.00 0.20 0.59 103.07 108.45 1win h GLY 81 Ca -0.03 0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 1win h GLY 81 CO 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 176.54 176.40 1win h THR 82 N -0.24 0.17 -3.25 4.70 1.03 -1.54 0.63 112.91 114.40 1win h THR 82 Ca 0.18 -0.05 -0.50 0.00 -0.01 0.00 0.00 66.41 66.03 1win h THR 82 Cb 0.56 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 1win h THR 82 CO -0.65 0.01 -0.07 -0.22 -0.01 0.00 0.00 175.52 174.57 1win s LEU 83 N -6.64 3.94 -0.03 0.00 2.96 0.21 -4.75 118.68 114.38 1win s LEU 83 Ca -0.05 0.75 -0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1win s LEU 83 Cb 0.13 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1win s LEU 83 CO 0.46 -0.31 0.08 0.42 -1.32 0.00 0.00 176.35 175.68 1win s THR 84 N -2.28 4.75 0.29 3.68 -4.23 -1.26 -1.26 115.64 115.33 1win s THR 84 Ca 0.45 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 1win s THR 84 Cb -0.10 -3.14 0.40 0.00 1.34 0.00 0.00 72.50 71.00 1win s THR 84 CO 0.34 0.41 1.47 0.52 -0.54 0.00 0.00 174.62 176.83 1win n VAL 85 N 1.40 -0.40 0.07 2.29 0.31 -1.26 -1.22 118.33 119.52 1win n VAL 85 Ca -0.15 2.07 -0.04 0.00 -0.01 0.00 0.00 64.34 66.22 1win n VAL 85 Cb 0.53 -3.02 -0.02 0.00 -0.91 0.00 0.00 33.84 30.42 1win n VAL 85 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1win h GLU 86 N 0.00 -0.21 -1.00 5.55 5.08 -1.99 -2.35 114.58 119.66 1win h GLU 86 Ca 0.57 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 59.09 1win h GLU 86 Cb 1.16 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 1win h GLU 86 CO -0.89 -0.14 -0.40 1.04 -1.00 0.00 0.00 179.01 177.62 1win n GLN 87 N -2.96 -0.24 -0.20 2.33 6.02 -0.36 -0.29 117.38 121.69 1win n GLN 87 Ca -0.03 1.53 -0.06 0.00 -0.01 0.00 0.00 57.00 58.44 1win n GLN 87 Cb 0.10 -2.28 -0.00 0.00 1.02 0.00 0.00 30.24 29.08 1win n GLN 87 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1win h ILE 88 N 0.00 0.17 0.48 5.09 2.04 -1.21 0.33 117.51 124.41 1win h ILE 88 Ca 0.34 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.18 1win h ILE 88 Cb 0.59 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1win h ILE 88 CO -0.99 0.00 -0.23 1.88 0.00 0.00 0.00 178.15 178.81 1win h TYR 89 N -0.18 -0.60 -0.84 1.37 0.05 -0.09 -3.19 116.97 113.50 1win h TYR 89 Ca 0.22 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 59.07 1win h TYR 89 Cb 0.55 0.20 -0.11 0.00 1.01 0.00 0.00 36.73 38.38 1win h TYR 89 CO -0.64 -0.37 -0.47 1.04 -1.05 0.00 0.00 178.16 176.67 1win n GLN 90 N -4.14 -0.35 -4.03 4.88 1.13 0.42 -3.89 117.38 111.40 1win n GLN 90 Ca -0.08 1.27 -0.31 0.00 -1.94 0.00 0.00 57.00 55.93 1win n GLN 90 Cb 0.25 -1.87 -0.15 0.00 0.11 0.00 0.00 30.24 28.58 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 -5.40 3.85 -0.09 1.08 -1.08 0.09 -4.99 116.67 110.12 1win s ASP 91 Ca -0.10 -1.11 -0.15 0.00 -0.52 0.00 0.00 52.55 50.67 1win s ASP 91 Cb 0.10 -1.39 -0.28 0.00 -1.46 0.00 0.00 42.92 39.90 1win s ASP 91 CO 0.53 -0.16 0.58 0.03 0.52 0.00 0.00 175.17 176.67 1win h ARG 92 N 7.88 0.27 0.14 4.34 3.08 -1.66 -3.34 114.38 125.08 1win h ARG 92 Ca -0.25 -0.45 0.01 0.00 0.07 0.00 0.00 59.98 59.35 1win h ARG 92 Cb 1.08 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 1win h ARG 92 CO 0.48 1.22 -0.53 -0.44 -1.07 0.00 0.00 179.97 179.63 1win h ASP 93 N -0.24 -1.60 -0.48 7.04 5.19 -1.94 -2.47 116.42 121.93 1win h ASP 93 Ca -0.31 0.17 0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1win h ASP 93 Cb 1.81 0.59 -0.07 0.00 0.18 0.00 0.00 39.33 41.84 1win h ASP 93 CO 0.08 -0.57 -0.37 -0.61 -3.12 0.00 0.00 179.24 174.65 1win h GLN 94 N -0.77 -0.11 -0.91 3.56 5.75 -1.97 0.10 115.11 120.76 1win h GLN 94 Ca -0.01 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1win h GLN 94 Cb 0.77 0.02 -0.11 0.00 1.07 0.00 0.00 27.48 29.24 1win h GLN 94 CO -0.28 -0.07 -0.54 0.35 -2.65 0.00 0.00 178.83 175.63 1win h PHE 95 N -0.11 -1.74 0.20 3.99 3.57 -1.64 -0.98 116.94 120.22 1win h PHE 95 Ca 0.08 0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1win h PHE 95 Cb 0.32 0.88 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1win h PHE 95 CO -0.86 -0.34 -0.36 0.00 -2.23 0.00 0.00 178.31 174.52 1win h ALA 96 N 0.37 -0.94 -0.79 2.41 0.00 -0.83 -2.49 119.26 117.00 1win h ALA 96 Ca 0.15 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1win h ALA 96 Cb 0.38 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 1win h ALA 96 CO -0.86 -1.00 -0.23 1.17 0.00 0.00 0.00 179.25 178.34 1win n LYS 97 N -4.52 -0.10 -0.33 0.00 4.81 0.26 0.23 118.16 118.52 1win n LYS 97 Ca -0.07 1.22 0.07 0.00 -0.87 0.00 0.00 58.31 58.66 1win n LYS 97 Cb 0.30 -1.82 0.23 0.00 0.02 0.00 0.00 35.03 33.75 1win n LYS 97 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1win h LEU 98 N 0.00 0.75 0.43 3.14 4.07 -0.77 0.29 115.31 123.22 1win h LEU 98 Ca 0.35 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.35 1win h LEU 98 Cb 0.54 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1win h LEU 98 CO -0.80 0.37 -0.21 0.58 -1.08 0.00 0.00 178.44 177.31 1win h VAL 99 N 0.83 0.56 0.00 1.22 2.07 0.32 -1.03 116.25 120.21 1win h VAL 99 Ca 0.47 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1win h VAL 99 Cb 0.54 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1win h VAL 99 CO -0.30 0.05 -0.06 0.08 0.02 0.00 0.00 177.57 177.37 1win h ARG 100 N -0.76 0.00 -0.05 1.57 0.11 -0.84 -0.12 114.38 114.29 1win h ARG 100 Ca -0.06 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 1win h ARG 100 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1win h ARG 100 CO 0.10 0.06 -0.29 0.93 0.10 0.00 0.00 179.97 180.87 1win h GLU 101 N 0.00 0.28 0.00 0.08 5.08 -0.15 0.20 114.58 120.06 1win h GLU 101 Ca -0.00 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1win h GLU 101 Cb 0.17 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1win h GLU 101 CO 0.01 0.90 -0.31 -0.24 -1.00 0.00 0.00 179.01 178.37 1win h VAL 102 N -0.27 0.67 0.11 3.13 3.04 -0.78 -3.26 116.25 118.88 1win h VAL 102 Ca -0.02 -1.43 -0.26 0.00 -1.01 0.00 0.00 66.70 63.97 1win h VAL 102 Cb 0.96 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 32.19 1win h VAL 102 CO 0.06 0.30 -1.32 0.00 -1.01 0.00 0.00 177.57 175.60 1win h ALA 103 N 1.69 0.16 -0.67 3.17 0.00 -1.05 -3.29 119.26 119.28 1win h ALA 103 Ca -0.00 -1.05 0.06 0.00 0.00 0.00 0.00 54.91 53.92 1win h ALA 103 Cb 0.92 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 1win h ALA 103 CO 0.04 0.77 -0.40 0.00 0.00 0.00 0.00 179.25 179.66 1win n ALA 104 N -2.96 -0.43 0.26 0.00 0.00 0.71 0.23 120.51 118.32 1win n ALA 104 Ca -0.24 0.57 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1win n ALA 104 Cb 0.87 -0.07 0.64 0.00 0.00 0.00 0.00 19.45 20.89 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 0.26 0.00 0.13 -1.75 -3.18 132.00 127.46 1win h PRO 105 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1win h PRO 105 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1win h PRO 105 CO -0.63 0.08 -0.12 0.22 -0.23 0.00 0.00 178.00 177.31 1win h ASP 106 N 0.00 -0.29 -1.13 1.44 1.82 0.27 -3.29 116.42 115.23 1win h ASP 106 Ca -0.00 0.00 0.33 0.00 -0.39 0.00 0.00 57.03 56.97 1win h ASP 106 Cb 0.55 0.08 -0.11 0.00 0.68 0.00 0.00 39.33 40.53 1win h ASP 106 CO 0.01 0.17 0.73 -0.37 -1.61 0.00 0.00 179.24 178.17 1win h VAL 107 N -1.09 0.38 -1.11 2.25 -1.51 -0.33 0.25 116.25 115.09 1win h VAL 107 Ca -0.04 -0.09 0.30 0.00 -1.23 0.00 0.00 66.70 65.64 1win h VAL 107 Cb 0.27 0.08 -0.08 0.00 -2.13 0.00 0.00 31.29 29.43 1win h VAL 107 CO 0.06 0.05 0.74 1.23 -1.23 0.00 0.00 177.57 178.42 1win h GLY 108 N 0.28 0.82 0.34 5.19 0.00 -1.52 -1.03 103.07 107.15 1win h GLY 108 Ca 0.67 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.89 1win h GLY 108 CO -0.34 -0.11 -0.40 3.21 0.00 0.00 0.00 176.54 178.90 1win h ARG 109 N 0.24 -0.63 -0.18 4.80 3.08 -0.65 -2.26 114.38 118.78 1win h ARG 109 Ca 0.60 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.59 1win h ARG 109 Cb 1.84 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 1win h ARG 109 CO -0.21 -0.42 -0.33 0.00 -1.07 0.00 0.00 179.97 177.94 1win h MET 110 N -0.65 0.37 0.00 0.04 -0.00 -1.40 -3.47 114.93 109.81 1win h MET 110 Ca 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1win h MET 110 Cb 0.67 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.25 1win h MET 110 CO -0.21 0.65 0.00 0.41 -0.00 0.00 0.00 176.91 177.76 1win n GLY 111 N -0.30 1.62 3.30 -3.00 0.00 -0.55 -3.63 105.19 102.63 1win n GLY 111 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.94 -0.09 -0.61 -1.09 -0.95 -4.00 121.20 114.40 1win s ILE 112 Ca 0.00 -1.18 0.02 0.00 -2.23 0.00 0.00 60.65 57.26 1win s ILE 112 Cb 0.00 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.22 1win s ILE 112 CO 0.00 0.43 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.28 1win s GLU 113 N -0.89 2.93 0.36 2.79 2.12 -1.24 -3.12 118.70 121.65 1win s GLU 113 Ca 0.10 -0.72 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 1win s GLU 113 Cb -0.09 -2.47 -0.08 0.00 0.26 0.00 0.00 34.13 31.74 1win s GLU 113 CO 0.01 0.40 0.77 0.96 -0.54 0.00 0.00 175.26 176.85 1win s ILE 114 N -0.14 4.68 -0.19 -3.70 -5.25 -1.26 -3.28 121.20 112.05 1win s ILE 114 Ca -0.01 0.92 -0.05 0.00 -0.99 0.00 0.00 60.65 60.52 1win s ILE 114 Cb -0.14 -3.64 -0.10 0.00 2.95 0.00 0.00 42.46 41.54 1win s ILE 114 CO 0.03 -0.30 -0.21 0.18 -1.79 0.00 0.00 174.94 172.86 1win n LEU 115 N -0.66 2.05 -3.52 0.37 4.77 -0.57 -4.97 117.00 114.47 1win n LEU 115 Ca 0.04 0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1win n LEU 115 Cb 0.53 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1win n LEU 115 CO 0.43 0.57 0.73 -0.55 -1.33 0.00 0.00 177.39 177.24 1win s SER 116 N -6.29 -0.33 -0.05 -1.43 0.15 -1.20 -4.99 113.70 99.57 1win s SER 116 Ca -0.26 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 1win s SER 116 Cb 0.09 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.78 1win s SER 116 CO 0.37 -0.58 0.08 0.12 1.20 0.00 0.00 173.24 174.43 1win s PHE 117 N -3.03 0.00 0.20 3.44 2.19 -1.26 -2.08 117.98 117.45 1win s PHE 117 Ca 0.06 0.32 0.02 0.00 0.33 0.00 0.00 56.93 57.66 1win s PHE 117 Cb -0.01 -0.40 -0.05 0.00 -1.31 0.00 0.00 43.02 41.26 1win s PHE 117 CO -0.08 -0.19 0.01 0.99 1.83 0.00 0.00 175.22 177.77 1win s THR 118 N 2.03 0.80 -0.31 0.12 2.01 -0.54 -4.55 115.64 115.21 1win s THR 118 Ca 0.03 -2.00 -0.08 0.00 0.31 0.00 0.00 61.69 59.94 1win s THR 118 Cb -0.12 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1win s THR 118 CO -0.04 -0.38 0.12 -0.63 -0.69 0.00 0.00 174.62 173.01 1win s ILE 119 N -3.57 4.31 -0.00 1.82 1.09 -1.26 -0.11 121.20 123.47 1win s ILE 119 Ca 0.27 -0.58 -0.11 0.00 -1.10 0.00 0.00 60.65 59.13 1win s ILE 119 Cb 0.06 -3.22 -0.06 0.00 -1.06 0.00 0.00 42.46 38.18 1win s ILE 119 CO 0.07 0.05 0.77 0.50 -0.10 0.00 0.00 174.94 176.23 1win h LYS 120 N 8.30 -0.38 -1.99 2.79 1.63 -1.90 -3.47 116.57 121.56 1win h LYS 120 Ca -0.31 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 1win h LYS 120 Cb 1.13 0.09 -0.21 0.00 -0.60 0.00 0.00 32.23 32.64 1win h LYS 120 CO 0.61 -0.25 0.11 0.34 -3.45 0.00 0.00 179.45 176.81 1win s ASP 121 N -3.43 -0.80 -0.14 4.20 2.15 -1.26 -4.98 116.67 112.41 1win s ASP 121 Ca -0.06 1.45 0.02 0.00 0.43 0.00 0.00 52.55 54.40 1win s ASP 121 Cb 0.01 1.43 0.01 0.00 -0.30 0.00 0.00 42.92 44.06 1win s ASP 121 CO 0.17 -0.24 -0.20 0.68 -0.17 0.00 0.00 175.17 175.41 1win s VAL 122 N 0.75 2.26 0.15 1.11 -7.23 -1.26 -1.64 120.40 114.54 1win s VAL 122 Ca -0.03 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1win s VAL 122 Cb -0.05 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1win s VAL 122 CO -0.05 0.54 0.02 -0.72 -0.31 0.00 0.00 175.10 174.57 1win s TYR 123 N 0.79 1.05 -0.37 2.82 1.13 0.29 -4.95 117.35 118.09 1win s TYR 123 Ca -0.07 -1.09 -0.13 0.00 -1.41 0.00 0.00 57.07 54.37 1win s TYR 123 Cb -0.16 -0.60 0.01 0.00 -1.10 0.00 0.00 41.96 40.11 1win s TYR 123 CO -0.01 -0.32 0.26 0.16 -2.51 0.00 0.00 175.55 173.13 1win s ASP 124 N -3.11 6.01 0.47 -0.18 -4.77 -1.26 0.80 116.67 114.63 1win s ASP 124 Ca 0.23 -0.71 0.21 0.00 -3.30 0.00 0.00 52.55 48.97 1win s ASP 124 Cb 0.07 -2.13 1.17 0.00 -1.09 0.00 0.00 42.92 40.94 1win s ASP 124 CO 0.02 -0.35 2.00 0.11 0.70 0.00 0.00 175.17 177.65 1win h LYS 125 N 8.54 0.00 0.00 2.11 1.79 -1.90 -1.66 116.57 125.45 1win h LYS 125 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1win h LYS 125 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1win h LYS 125 CO 0.68 0.19 -0.01 -0.39 -1.08 0.00 0.00 179.45 178.83 1win h VAL 126 N 0.00 0.00 -5.92 0.50 -1.51 -1.93 -3.48 116.25 103.92 1win h VAL 126 Ca -0.00 -0.68 -0.37 0.00 -1.23 0.00 0.00 66.70 64.41 1win h VAL 126 Cb 0.41 1.67 0.11 0.00 -2.13 0.00 0.00 31.29 31.35 1win h VAL 126 CO 0.02 0.00 -0.84 0.47 -1.23 0.00 0.00 177.57 175.99 1win n ASP 127 N -2.59 -2.92 -0.04 4.19 9.92 -0.63 -4.93 116.55 119.56 1win n ASP 127 Ca 0.05 -0.80 -0.22 0.00 -0.53 0.00 0.00 54.79 53.30 1win n ASP 127 Cb 0.47 -4.35 -0.13 0.00 -0.64 0.00 0.00 41.12 36.47 1win n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1win n TYR 128 N -4.04 1.13 -0.18 1.24 9.36 -1.26 -3.44 117.16 119.97 1win n TYR 128 Ca -0.23 0.32 0.11 0.00 3.32 0.00 0.00 57.90 61.42 1win n TYR 128 Cb 0.65 -1.14 0.42 0.00 -0.63 0.00 0.00 39.34 38.65 1win n TYR 128 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1win h LEU 129 N -0.34 0.54 -0.08 2.98 3.38 -1.95 -1.93 115.31 117.91 1win h LEU 129 Ca -0.41 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 1win h LEU 129 Cb 1.76 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.42 1win h LEU 129 CO -0.03 0.32 -0.41 -1.28 0.09 0.00 0.00 178.44 177.12 1win h SER 130 N 0.60 0.50 -0.91 -0.43 0.87 -1.98 -3.24 113.55 108.97 1win h SER 130 Ca 0.35 -0.65 0.23 0.00 -1.23 0.00 0.00 61.79 60.49 1win h SER 130 Cb 0.55 -0.15 -0.13 0.00 -0.44 0.00 0.00 62.40 62.23 1win h SER 130 CO -0.13 1.07 0.39 -1.28 -0.53 0.00 0.00 176.83 176.35 1win h SER 131 N -0.03 0.29 -0.71 6.23 0.87 -1.38 0.59 113.55 119.42 1win h SER 131 Ca -0.03 0.17 0.15 0.00 -1.23 0.00 0.00 61.79 60.85 1win h SER 131 Cb 1.06 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.13 1win h SER 131 CO 0.09 -0.04 0.48 -0.07 -0.53 0.00 0.00 176.83 176.76 1win h LEU 132 N 0.36 0.32 -2.70 2.23 3.38 -1.53 -3.46 115.31 113.91 1win h LEU 132 Ca 0.58 0.02 -0.30 0.00 0.09 0.00 0.00 57.88 58.26 1win h LEU 132 Cb 1.14 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1win h LEU 132 CO -0.56 0.17 -0.87 0.61 0.09 0.00 0.00 178.44 177.88 1win n GLY 133 N -1.54 -0.04 3.37 0.83 0.00 0.21 -4.53 105.19 103.49 1win n GLY 133 Ca 0.13 0.78 -0.56 0.00 0.00 0.00 0.00 46.02 46.37 1win n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1win n LYS 134 N -0.45 0.53 -3.93 1.61 4.76 -1.26 -4.91 118.16 114.51 1win n LYS 134 Ca -0.09 0.15 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 1win n LYS 134 Cb 0.50 -1.95 -0.12 0.00 -1.84 0.00 0.00 35.03 31.63 1win n LYS 134 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1win s THR 135 N 6.36 0.07 -0.44 -0.18 -4.23 -1.26 -5.06 115.64 110.90 1win s THR 135 Ca 1.14 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 61.08 1win s THR 135 Cb -1.20 -0.22 0.45 0.00 1.34 0.00 0.00 72.50 72.86 1win s THR 135 CO 0.59 -0.34 1.48 0.00 -0.54 0.00 0.00 174.62 175.82 1win n GLN 136 N 2.01 3.28 -3.94 3.99 0.00 -1.26 -5.00 117.38 116.46 1win n GLN 136 Ca -0.20 -3.90 -0.09 0.00 0.00 0.00 0.00 57.00 52.81 1win n GLN 136 Cb 0.56 -2.28 -0.03 0.00 0.00 0.00 0.00 30.24 28.49 1win n GLN 136 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1win s THR 137 N -4.77 0.00 0.13 -0.39 -4.23 -1.26 -5.18 115.64 99.94 1win s THR 137 Ca 0.55 -1.24 0.09 0.00 -1.18 0.00 0.00 61.69 59.91 1win s THR 137 Cb 0.44 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1win s THR 137 CO -0.01 0.00 -0.21 -0.94 -0.54 0.00 0.00 174.62 172.91 1win s SER 138 N -3.00 2.73 -0.18 3.99 1.04 -1.26 -5.14 113.70 111.89 1win s SER 138 Ca 0.18 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 1win s SER 138 Cb -0.03 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1win s SER 138 CO 0.09 0.06 0.09 -0.83 0.98 0.00 0.00 173.24 173.63 1win s GLY 139 N -2.15 1.97 1.19 7.32 0.00 -1.26 -5.10 107.32 109.29 1win s GLY 139 Ca 0.10 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 1win s GLY 139 CO 0.05 0.02 1.11 2.56 0.00 0.00 0.00 173.10 176.84 1win s PRO 140 N 0.19 -1.10 0.29 2.90 0.04 -1.26 -5.10 135.00 130.96 1win s PRO 140 Ca 0.06 -0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.95 1win s PRO 140 Cb -0.12 -1.61 0.01 0.00 0.04 0.00 0.00 34.50 32.82 1win s PRO 140 CO -0.00 -3.64 0.55 -1.54 0.04 0.00 0.00 177.00 172.41 1win s SER 141 N -3.86 0.11 0.36 6.66 1.04 -1.26 -5.19 113.70 111.56 1win s SER 141 Ca 0.70 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 56.14 1win s SER 141 Cb -0.10 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.61 1win s SER 141 CO 0.56 -1.27 0.06 -0.94 0.98 0.00 0.00 173.24 172.63 1win s SER 142 N -3.06 2.75 0.00 7.02 1.04 -1.26 -5.37 113.70 114.83 1win s SER 142 Ca 0.22 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1win s SER 142 Cb -0.02 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1win s SER 142 CO 0.11 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.31