#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 -3.62 -4.36 1.61 2.88 -1.26 -4.84 113.62 104.03 1win n SER 2 Ca 0.00 0.54 -0.45 0.00 -1.33 0.00 0.00 58.87 57.63 1win n SER 2 Cb 0.00 -0.76 -0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1win n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1win s SER 3 N -0.91 7.23 0.00 -3.46 0.15 -1.26 -4.75 113.70 110.71 1win s SER 3 Ca 0.49 -3.41 0.00 0.00 0.70 0.00 0.00 55.95 53.74 1win s SER 3 Cb -0.41 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1win s SER 3 CO 0.62 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1win n GLY 4 N 3.07 2.21 3.93 9.45 0.00 -1.26 -5.13 105.19 117.46 1win n GLY 4 Ca 0.25 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1win n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1win s SER 5 N 0.00 5.79 -0.14 1.61 0.15 -1.26 -5.05 113.70 114.79 1win s SER 5 Ca 0.00 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.26 1win s SER 5 Cb 0.00 -1.29 -0.24 0.00 -1.71 0.00 0.00 66.02 62.78 1win s SER 5 CO 0.00 -0.30 0.39 0.77 1.20 0.00 0.00 173.24 175.31 1win h SER 6 N 1.11 0.26 -3.82 5.45 4.64 -2.02 -3.47 113.55 115.70 1win h SER 6 Ca -0.47 -0.77 -0.52 0.00 -0.47 0.00 0.00 61.79 59.56 1win h SER 6 Cb 1.25 -0.08 0.05 0.00 -0.31 0.00 0.00 62.40 63.31 1win h SER 6 CO 0.57 1.63 0.61 -0.83 -0.87 0.00 0.00 176.83 177.94 1win s GLY 7 N -5.09 2.97 -0.68 -0.77 0.00 -1.26 -4.93 107.32 97.56 1win s GLY 7 Ca -0.24 1.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.64 1win s GLY 7 CO 0.71 1.84 2.04 -1.06 0.00 0.00 0.00 173.10 176.64 1win n GLN 8 N 1.02 2.66 -3.94 2.90 6.02 -1.26 -4.97 117.38 119.82 1win n GLN 8 Ca 0.00 -3.25 -0.21 0.00 -0.01 0.00 0.00 57.00 53.53 1win n GLN 8 Cb 0.42 -2.26 -0.02 0.00 1.02 0.00 0.00 30.24 29.41 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 -3.77 3.44 0.69 -1.09 3.52 -1.26 -4.66 118.95 115.83 1win s ARG 9 Ca 0.62 -0.73 -0.17 0.00 -0.13 0.00 0.00 55.73 55.32 1win s ARG 9 Cb 0.49 -2.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.99 1win s ARG 9 CO -0.07 0.42 0.94 1.51 -0.81 0.00 0.00 175.30 177.28 1win n ILE 10 N -1.41 3.03 -3.62 4.11 3.06 -1.26 -4.98 119.36 118.28 1win n ILE 10 Ca -0.09 -0.41 -0.36 0.00 -2.50 0.00 0.00 62.75 59.40 1win n ILE 10 Cb 0.57 -1.09 -0.06 0.00 0.54 0.00 0.00 39.64 39.60 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 -1.53 6.63 0.00 9.51 0.15 -1.26 -4.99 113.70 122.21 1win s SER 11 Ca 0.74 0.75 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1win s SER 11 Cb -0.36 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1win s SER 11 CO 0.50 0.24 0.00 0.18 1.20 0.00 0.00 173.24 175.36 1win n LEU 12 N 1.24 1.54 -4.35 3.45 4.77 -1.26 -4.63 117.00 117.75 1win n LEU 12 Ca -0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.51 1win n LEU 12 Cb 0.53 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1win n LEU 12 CO 0.40 0.26 -0.28 1.21 -1.33 0.00 0.00 177.39 177.65 1win n GLU 13 N -2.74 0.14 -2.34 3.23 2.13 -1.26 -4.33 120.64 115.47 1win n GLU 13 Ca 0.00 0.08 -0.40 0.00 0.66 0.00 0.00 57.16 57.50 1win n GLU 13 Cb 0.50 -1.57 -0.03 0.00 0.27 0.00 0.00 31.44 30.60 1win n GLU 13 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1win s ILE 14 N -1.99 3.22 -0.05 6.31 1.01 -1.26 -4.55 121.20 123.88 1win s ILE 14 Ca 0.59 1.15 0.02 0.00 0.00 0.00 0.00 60.65 62.41 1win s ILE 14 Cb -0.33 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1win s ILE 14 CO 0.64 0.21 -0.10 -0.04 0.00 0.00 0.00 174.94 175.65 1win s MET 15 N -1.85 2.62 -0.55 2.79 -1.94 0.12 -4.95 119.30 115.54 1win s MET 15 Ca 0.50 -0.63 -0.17 0.00 -1.71 0.00 0.00 55.69 53.68 1win s MET 15 Cb -0.33 -2.49 0.11 0.00 2.01 0.00 0.00 34.83 34.13 1win s MET 15 CO 0.42 0.64 0.57 0.99 -0.01 0.00 0.00 175.02 177.63 1win s THR 16 N -0.79 5.05 -0.25 2.05 2.01 -1.26 -1.40 115.64 121.04 1win s THR 16 Ca 0.12 -1.18 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 1win s THR 16 Cb -0.11 -4.36 0.00 0.00 0.01 0.00 0.00 72.50 68.04 1win s THR 16 CO 0.02 -0.91 0.00 -0.76 -0.69 0.00 0.00 174.62 172.27 1win s LEU 17 N 2.08 3.30 -0.56 4.42 1.43 -0.92 -5.01 118.68 123.41 1win s LEU 17 Ca 0.07 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1win s LEU 17 Cb -0.26 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.31 1win s LEU 17 CO 0.05 -0.10 0.45 0.00 0.23 0.00 0.00 176.35 176.99 1win s GLN 18 N 1.47 2.77 -0.56 1.70 0.00 -1.26 -2.09 119.66 121.68 1win s GLN 18 Ca 0.04 -1.94 -0.27 0.00 -0.00 0.00 0.00 55.36 53.19 1win s GLN 18 Cb -0.16 -4.06 -0.02 0.00 0.00 0.00 0.00 33.01 28.77 1win s GLN 18 CO -0.01 -1.24 1.82 -1.25 0.00 0.00 0.00 175.29 174.62 1win s PRO 19 N 1.09 2.79 0.16 9.60 0.04 -1.22 -4.85 135.00 142.60 1win s PRO 19 Ca 0.08 0.76 0.06 0.00 0.04 0.00 0.00 61.00 61.94 1win s PRO 19 Cb -0.24 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 1win s PRO 19 CO -0.01 -2.53 0.05 0.50 0.04 0.00 0.00 177.00 175.05 1win s ARG 20 N 6.70 2.62 -0.05 4.56 3.52 -0.88 -3.78 118.95 131.64 1win s ARG 20 Ca 0.69 -0.98 -0.02 0.00 -0.13 0.00 0.00 55.73 55.29 1win s ARG 20 Cb -0.14 -2.49 0.04 0.00 -1.56 0.00 0.00 34.95 30.79 1win s ARG 20 CO 0.23 0.48 0.09 0.00 -0.81 0.00 0.00 175.30 175.29 1win s GLU 22 N 1.68 1.64 -1.38 0.00 2.02 -1.26 -2.15 118.70 119.24 1win s GLU 22 Ca -0.02 -1.70 -0.05 0.00 0.02 0.00 0.00 54.97 53.22 1win s GLU 22 Cb -0.12 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1win s GLU 22 CO -0.04 0.35 0.42 -0.40 0.02 0.00 0.00 175.26 175.61 1win n ASP 23 N -0.36 -1.03 -4.00 -0.19 5.75 -1.24 -4.93 116.55 110.56 1win n ASP 23 Ca -0.07 -1.07 -0.32 0.00 -0.01 0.00 0.00 54.79 53.31 1win n ASP 23 Cb 0.59 -2.76 -0.13 0.00 -1.03 0.00 0.00 41.12 37.79 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1win s VAL 24 N -3.93 2.90 0.04 2.12 -7.23 -1.23 -4.91 120.40 108.16 1win s VAL 24 Ca 0.10 -3.17 -0.35 0.00 -1.81 0.00 0.00 61.98 56.75 1win s VAL 24 Cb -0.04 -2.97 -0.14 0.00 0.56 0.00 0.00 36.38 33.78 1win s VAL 24 CO 0.91 -0.81 1.64 -0.62 -0.31 0.00 0.00 175.10 175.90 1win n GLU 25 N 3.27 1.91 -0.70 4.82 1.02 -1.26 -2.49 120.64 127.22 1win n GLU 25 Ca 0.06 0.69 -0.18 0.00 -0.02 0.00 0.00 57.16 57.71 1win n GLU 25 Cb 0.34 -2.46 0.15 0.00 -0.02 0.00 0.00 31.44 29.45 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 3.84 0.00 -0.19 2.62 -2.24 0.15 -4.60 114.28 113.86 1win n THR 26 Ca 0.20 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1win n THR 26 Cb 0.26 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.22 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 -2.36 -0.41 -0.08 6.98 0.00 0.20 0.31 119.26 123.90 1win h ALA 27 Ca -0.25 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1win h ALA 27 Cb 0.74 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1win h ALA 27 CO 0.16 -0.87 -0.08 1.05 0.00 0.00 0.00 179.25 179.52 1win h GLU 28 N -0.26 0.11 0.00 0.00 4.11 -1.84 -3.46 114.58 113.25 1win h GLU 28 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1win h GLU 28 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1win h GLU 28 CO -0.67 0.20 0.00 0.41 0.07 0.00 0.00 179.01 179.02 1win n GLY 29 N -1.15 1.00 3.18 1.06 0.00 0.11 -5.13 105.19 104.26 1win n GLY 29 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.97 2.73 0.01 1.61 1.01 -1.25 -4.64 120.40 117.91 1win s VAL 30 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 1win s VAL 30 Cb 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 1win s VAL 30 CO 0.00 0.23 1.78 0.00 0.00 0.00 0.00 175.10 177.11 1win s ALA 31 N 1.31 3.63 0.27 5.51 0.00 -1.26 0.31 121.76 131.52 1win s ALA 31 Ca 0.00 1.16 0.11 0.00 0.00 0.00 0.00 51.96 53.24 1win s ALA 31 Cb -0.16 -3.77 -0.05 0.00 0.00 0.00 0.00 23.12 19.14 1win s ALA 31 CO -0.06 -1.39 -0.16 -0.51 0.00 0.00 0.00 175.76 173.65 1win s LEU 32 N 3.82 2.73 -0.27 0.00 2.01 -1.04 -4.11 118.68 121.82 1win s LEU 32 Ca 0.79 -0.91 0.01 0.00 0.01 0.00 0.00 54.13 54.03 1win s LEU 32 Cb -0.39 -1.26 0.08 0.00 0.01 0.00 0.00 46.19 44.63 1win s LEU 32 CO 0.35 0.04 0.01 -0.89 1.01 0.00 0.00 176.35 176.86 1win s THR 33 N -2.37 1.46 -0.29 5.49 2.01 0.16 -3.55 115.64 118.56 1win s THR 33 Ca 0.29 -1.44 -0.00 0.00 0.31 0.00 0.00 61.69 60.85 1win s THR 33 Cb -0.06 -1.89 0.06 0.00 0.01 0.00 0.00 72.50 70.62 1win s THR 33 CO 0.16 -0.34 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.04 1win s VAL 34 N 1.38 2.73 0.12 3.82 1.01 -0.91 -0.56 120.40 127.98 1win s VAL 34 Ca 0.01 -1.52 -0.25 0.00 0.00 0.00 0.00 61.98 60.23 1win s VAL 34 Cb -0.18 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1win s VAL 34 CO -0.11 -0.12 1.66 0.74 0.00 0.00 0.00 175.10 177.27 1win h THR 35 N 6.56 0.55 -3.22 3.92 2.02 -1.55 -1.89 112.91 119.30 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 1.05 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1win h THR 35 CO 0.52 0.00 -0.78 0.61 0.37 0.00 0.00 175.52 176.24 1win n GLY 36 N -1.32 -4.50 2.96 2.16 0.00 -1.25 -2.08 105.19 101.16 1win n GLY 36 Ca -0.05 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.83 -0.31 0.04 1.61 1.01 0.71 -3.45 120.40 117.18 1win s VAL 37 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1win s VAL 37 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1win s VAL 37 CO 0.00 0.12 0.02 0.00 0.00 0.00 0.00 175.10 175.24 1win s ALA 38 N 2.18 0.16 -0.11 5.51 0.00 -0.89 0.05 121.76 128.66 1win s ALA 38 Ca 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1win s ALA 38 Cb -0.12 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1win s ALA 38 CO -0.08 -0.29 -0.10 -1.14 0.00 0.00 0.00 175.76 174.15 1win s GLN 39 N -2.68 3.22 0.19 0.00 0.74 -0.89 -2.16 119.66 118.08 1win s GLN 39 Ca -0.04 -0.63 0.06 0.00 0.05 0.00 0.00 55.36 54.79 1win s GLN 39 Cb -0.01 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.40 1win s GLN 39 CO -0.05 0.35 -0.09 0.54 -0.55 0.00 0.00 175.29 175.49 1win s VAL 40 N 0.01 1.37 -0.14 1.34 0.11 -0.49 -0.93 120.40 121.67 1win s VAL 40 Ca -0.02 -2.11 -0.19 0.00 -2.93 0.00 0.00 61.98 56.73 1win s VAL 40 Cb -0.14 -2.06 0.05 0.00 -1.53 0.00 0.00 36.38 32.70 1win s VAL 40 CO 0.04 -0.58 0.49 -1.59 -3.33 0.00 0.00 175.10 170.13 1win s LYS 41 N -3.73 0.66 0.07 1.54 -2.85 -1.19 0.11 119.74 114.34 1win s LYS 41 Ca 0.22 0.48 -0.31 0.00 -1.00 0.00 0.00 55.97 55.36 1win s LYS 41 Cb 0.02 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 36.02 1win s LYS 41 CO 0.05 -0.12 1.66 0.42 0.10 0.00 0.00 175.35 177.46 1win s ILE 42 N -0.20 3.01 1.00 3.79 -1.09 -1.26 -3.21 121.20 123.23 1win s ILE 42 Ca -0.04 0.47 -0.14 0.00 -2.23 0.00 0.00 60.65 58.71 1win s ILE 42 Cb -0.03 -3.30 0.21 0.00 -1.58 0.00 0.00 42.46 37.76 1win s ILE 42 CO 0.03 -0.00 0.48 0.23 -1.23 0.00 0.00 174.94 174.44 1win n MET 43 N 5.59 -1.97 -4.21 2.79 2.81 -1.16 -4.92 117.12 116.05 1win n MET 43 Ca 0.16 -0.80 -0.23 0.00 -1.81 0.00 0.00 57.70 55.01 1win n MET 43 Cb 0.40 -1.43 -0.06 0.00 -0.71 0.00 0.00 33.22 31.43 1win n MET 43 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1win s THR 44 N -1.95 3.87 -0.29 2.03 2.01 -1.26 -5.04 115.64 115.01 1win s THR 44 Ca 0.37 -1.62 -0.08 0.00 0.31 0.00 0.00 61.69 60.67 1win s THR 44 Cb -0.07 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1win s THR 44 CO 0.31 -0.31 0.11 -1.83 -0.69 0.00 0.00 174.62 172.21 1win s GLU 45 N -3.57 3.32 -0.19 4.92 -1.05 -1.26 -4.95 118.70 115.92 1win s GLU 45 Ca 0.31 -0.71 -0.03 0.00 -0.15 0.00 0.00 54.97 54.39 1win s GLU 45 Cb -0.08 -3.44 -0.21 0.00 -0.44 0.00 0.00 34.13 29.96 1win s GLU 45 CO 0.21 -0.37 0.08 1.17 0.95 0.00 0.00 175.26 177.30 1win n LYS 46 N 4.93 0.70 0.00 -4.83 3.00 -1.26 -4.87 118.16 115.82 1win n LYS 46 Ca -0.15 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1win n LYS 46 Cb 0.49 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 33.90 1win n LYS 46 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1win n GLU 47 N -3.43 0.00 -3.67 1.64 0.28 -1.26 -5.09 120.64 109.10 1win n GLU 47 Ca -0.39 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.52 1win n GLU 47 Cb 1.01 -0.21 -0.10 0.00 1.43 0.00 0.00 31.44 33.56 1win n GLU 47 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1win s LEU 48 N -5.30 -0.42 -0.15 -1.84 1.02 -1.26 -5.02 118.68 105.70 1win s LEU 48 Ca 0.00 0.92 0.17 0.00 0.02 0.00 0.00 54.13 55.24 1win s LEU 48 Cb 0.00 1.28 0.36 0.00 0.02 0.00 0.00 46.19 47.85 1win s LEU 48 CO 0.00 -0.22 1.23 -0.11 0.02 0.00 0.00 176.35 177.27 1win n LEU 49 N 5.00 2.80 0.14 1.79 -0.00 -1.26 -4.68 117.00 120.79 1win n LEU 49 Ca -0.13 -3.17 0.10 0.00 -0.00 0.00 0.00 56.01 52.80 1win n LEU 49 Cb 0.51 -0.47 0.51 0.00 -0.00 0.00 0.00 43.42 43.97 1win n LEU 49 CO 0.03 0.78 0.80 0.00 -0.00 0.00 0.00 177.39 179.00 1win n ALA 50 N -1.19 1.12 -0.20 1.96 0.00 -1.26 -0.12 120.51 120.82 1win n ALA 50 Ca 0.18 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 1win n ALA 50 Cb 0.72 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.92 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 1.26 0.00 0.00 3.04 -1.90 -2.76 116.25 115.90 1win h VAL 51 Ca 0.00 -1.14 -0.23 0.00 -1.01 0.00 0.00 66.70 64.32 1win h VAL 51 Cb 0.05 0.80 -0.04 0.00 -2.01 0.00 0.00 31.29 30.08 1win h VAL 51 CO 0.00 0.42 -1.85 0.00 -1.01 0.00 0.00 177.57 175.13 1win n ALA 52 N -2.48 1.69 0.28 3.17 0.00 -0.78 -4.33 120.51 118.06 1win n ALA 52 Ca 0.03 -0.76 0.13 0.00 0.00 0.00 0.00 53.44 52.84 1win n ALA 52 Cb 0.34 0.04 0.82 0.00 0.00 0.00 0.00 19.45 20.65 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 0.17 -0.00 0.00 4.39 -1.69 -0.97 114.58 116.49 1win h GLU 54 Ca -0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1win h GLU 54 Cb 0.13 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1win h GLU 54 CO 0.01 1.12 -0.02 0.00 -1.16 0.00 0.00 179.01 178.95 1win n GLN 55 N -3.45 0.68 -0.06 2.33 10.64 -0.69 -3.82 117.38 123.01 1win n GLN 55 Ca -0.07 -0.07 -0.09 0.00 -1.83 0.00 0.00 57.00 54.94 1win n GLN 55 Cb 1.00 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.83 1win n GLN 55 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1win n PHE 56 N -1.10 0.00 -1.45 2.61 3.72 -0.83 -4.94 117.46 115.48 1win n PHE 56 Ca 0.17 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.19 1win n PHE 56 Cb 0.21 -0.44 0.03 0.00 -0.94 0.00 0.00 39.48 38.35 1win n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1win n LEU 57 N -3.04 0.28 0.00 4.37 4.77 -0.37 -1.55 117.00 121.46 1win n LEU 57 Ca -0.21 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1win n LEU 57 Cb 0.70 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1win n LEU 57 CO 0.08 -3.22 0.00 0.61 -1.33 0.00 0.00 177.39 173.53 1win n GLY 58 N 1.85 2.08 3.98 -0.72 0.00 -1.26 -4.96 105.19 106.17 1win n GLY 58 Ca 0.11 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 2.45 0.58 1.61 1.02 -0.60 -5.12 119.74 119.68 1win s LYS 59 Ca 0.00 -0.93 0.08 0.00 0.02 0.00 0.00 55.97 55.13 1win s LYS 59 Cb 0.00 -2.51 0.08 0.00 -0.52 0.00 0.00 37.83 34.88 1win s LYS 59 CO 0.00 -0.76 0.79 1.21 -0.92 0.00 0.00 175.35 175.67 1win s ASN 60 N -4.47 5.06 0.54 2.83 3.84 -1.26 -4.94 114.94 116.54 1win s ASN 60 Ca 0.58 -0.72 0.22 0.00 0.21 0.00 0.00 52.86 53.16 1win s ASN 60 Cb -0.09 0.13 1.48 0.00 -0.55 0.00 0.00 41.25 42.22 1win s ASN 60 CO 0.38 -1.35 2.18 -0.37 -2.79 0.00 0.00 177.10 175.16 1win h VAL 61 N 0.13 0.80 -0.39 -5.21 -1.51 -1.94 -1.55 116.25 106.58 1win h VAL 61 Ca -0.32 -0.08 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 1win h VAL 61 Cb 1.28 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 1win h VAL 61 CO 0.41 0.02 0.15 1.56 -1.23 0.00 0.00 177.57 178.49 1win h GLN 62 N 0.00 0.55 -0.10 5.19 4.20 -1.99 -1.26 115.11 121.69 1win h GLN 62 Ca -0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1win h GLN 62 Cb 0.05 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1win h GLN 62 CO 0.00 0.46 -0.08 -0.44 -0.67 0.00 0.00 178.83 178.10 1win h ASP 63 N 0.55 0.25 0.31 1.46 3.32 -1.66 -2.47 116.42 118.18 1win h ASP 63 Ca 0.14 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1win h ASP 63 Cb 0.12 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1win h ASP 63 CO -0.01 0.66 -0.15 0.40 -1.72 0.00 0.00 179.24 178.41 1win h ILE 64 N -0.15 0.71 -0.94 0.35 5.03 -1.47 0.72 117.51 121.75 1win h ILE 64 Ca 0.02 -0.08 0.16 0.00 -0.12 0.00 0.00 64.86 64.84 1win h ILE 64 Cb 0.58 0.75 -0.08 0.00 -3.03 0.00 0.00 36.82 35.04 1win h ILE 64 CO 0.02 0.02 0.60 0.11 -0.68 0.00 0.00 178.15 178.22 1win h LYS 65 N -0.45 0.71 0.26 2.37 1.57 -1.31 -1.70 116.57 118.03 1win h LYS 65 Ca -0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1win h LYS 65 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1win h LYS 65 CO 0.07 0.47 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.39 1win h ASN 66 N 0.73 -0.30 -0.97 0.86 2.35 -1.09 -2.48 115.58 114.70 1win h ASN 66 Ca 0.49 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 56.35 1win h ASN 66 Cb 0.77 0.08 -0.13 0.00 0.05 0.00 0.00 38.32 39.09 1win h ASN 66 CO -0.25 -0.04 -0.53 0.52 -1.65 0.00 0.00 177.43 175.48 1win n VAL 67 N -3.89 -0.62 -0.14 2.81 0.31 0.22 -0.02 118.33 116.99 1win n VAL 67 Ca -0.04 2.33 -0.03 0.00 -0.01 0.00 0.00 64.34 66.58 1win n VAL 67 Cb 0.14 -2.92 0.05 0.00 -0.91 0.00 0.00 33.84 30.20 1win n VAL 67 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1win h VAL 68 N 0.00 0.77 -0.53 2.52 2.07 -1.44 -1.96 116.25 117.68 1win h VAL 68 Ca 0.20 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.69 1win h VAL 68 Cb 0.44 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1win h VAL 68 CO -0.92 0.04 0.25 0.25 0.02 0.00 0.00 177.57 177.21 1win h LEU 69 N 0.25 0.33 -0.35 2.57 5.85 0.05 -2.54 115.31 121.46 1win h LEU 69 Ca 0.22 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1win h LEU 69 Cb 0.28 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1win h LEU 69 CO -0.28 0.22 -0.22 1.56 -0.34 0.00 0.00 178.44 179.38 1win h GLN 70 N 0.47 -0.17 -0.54 1.25 4.20 0.17 0.31 115.11 120.81 1win h GLN 70 Ca 0.24 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.02 1win h GLN 70 Cb 0.20 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.92 1win h GLN 70 CO -0.20 -0.11 -0.56 1.15 -0.67 0.00 0.00 178.83 178.45 1win h THR 71 N -0.17 0.00 0.71 -0.54 2.02 -1.16 0.73 112.91 114.50 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 0.44 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1win h THR 71 CO -0.45 0.00 -0.34 -0.07 0.37 0.00 0.00 175.52 175.03 1win h LEU 72 N -0.30 -0.81 -0.77 2.58 3.38 -1.41 -2.89 115.31 115.10 1win h LEU 72 Ca 0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1win h LEU 72 Cb 0.54 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1win h LEU 72 CO -0.67 -0.47 -0.45 1.21 0.09 0.00 0.00 178.44 178.15 1win n GLU 73 N -5.44 -0.34 -0.16 1.13 0.00 0.11 -0.08 120.64 115.86 1win n GLU 73 Ca -0.13 1.26 -0.03 0.00 0.00 0.00 0.00 57.16 58.26 1win n GLU 73 Cb 0.39 -1.86 0.04 0.00 0.00 0.00 0.00 31.44 30.01 1win n GLU 73 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1win h GLY 74 N 0.00 0.32 0.57 8.31 0.00 -0.90 0.30 103.07 111.67 1win h GLY 74 Ca 0.12 0.19 0.12 0.00 0.00 0.00 0.00 47.33 47.76 1win h GLY 74 CO -0.72 -0.20 0.60 0.45 0.00 0.00 0.00 176.54 176.67 1win h HIS 75 N -0.03 1.00 -0.32 5.60 3.86 -0.26 -1.54 115.15 123.47 1win h HIS 75 Ca 0.24 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1win h HIS 75 Cb 0.40 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1win h HIS 75 CO -0.45 0.41 0.19 1.25 0.86 0.00 0.00 177.93 180.20 1win h LEU 76 N 0.89 0.32 -0.02 2.43 5.85 0.92 0.20 115.31 125.90 1win h LEU 76 Ca 0.46 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.18 1win h LEU 76 Cb 0.51 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1win h LEU 76 CO -0.22 0.23 0.01 -0.09 -0.34 0.00 0.00 178.44 178.03 1win h ARG 77 N 0.40 0.02 0.51 1.25 2.43 -0.82 -0.58 114.38 117.60 1win h ARG 77 Ca 0.12 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1win h ARG 77 Cb -0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1win h ARG 77 CO -0.05 0.02 -0.32 1.03 -1.51 0.00 0.00 179.97 179.14 1win h SER 78 N 0.02 -0.79 -0.43 -3.80 0.87 -1.18 0.94 113.55 109.18 1win h SER 78 Ca 0.01 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 60.74 1win h SER 78 Cb 0.00 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1win h SER 78 CO -0.00 -0.50 0.32 0.40 -0.53 0.00 0.00 176.83 176.53 1win h ILE 79 N -0.79 0.72 -0.01 2.23 1.08 -0.91 -1.64 117.51 118.20 1win h ILE 79 Ca -0.06 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.33 1win h ILE 79 Cb 0.64 0.77 0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1win h ILE 79 CO 0.06 0.00 -0.30 0.25 -0.69 0.00 0.00 178.15 177.47 1win h LEU 80 N 0.00 0.27 0.15 1.44 6.46 -0.38 -2.97 115.31 120.27 1win h LEU 80 Ca 0.20 -0.76 0.02 0.00 -0.12 0.00 0.00 57.88 57.22 1win h LEU 80 Cb 0.85 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1win h LEU 80 CO -0.00 1.00 -0.35 1.23 -0.62 0.00 0.00 178.44 179.69 1win h GLY 81 N -0.42 -0.70 0.56 3.75 0.00 0.11 -2.28 103.07 104.09 1win h GLY 81 Ca -0.03 0.42 0.10 0.00 0.00 0.00 0.00 47.33 47.81 1win h GLY 81 CO 0.06 -0.26 0.61 0.00 0.00 0.00 0.00 176.54 176.95 1win h THR 82 N -0.60 0.97 -4.31 4.70 1.03 -1.57 1.12 112.91 114.25 1win h THR 82 Ca 0.02 -0.35 -0.51 0.00 -0.01 0.00 0.00 66.41 65.57 1win h THR 82 Cb 0.62 -0.14 0.08 0.00 -1.07 0.00 0.00 68.15 67.64 1win h THR 82 CO -0.19 0.19 0.38 -0.76 -0.01 0.00 0.00 175.52 175.12 1win s LEU 83 N -10.22 3.24 -0.09 0.00 1.43 -0.86 -4.54 118.68 107.64 1win s LEU 83 Ca -0.12 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 1win s LEU 83 Cb 0.21 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.89 1win s LEU 83 CO 0.81 -1.25 0.23 0.42 0.23 0.00 0.00 176.35 176.79 1win s THR 84 N -2.93 5.34 0.38 5.49 -4.23 -1.26 -1.98 115.64 116.44 1win s THR 84 Ca 0.59 0.43 0.27 0.00 -1.18 0.00 0.00 61.69 61.79 1win s THR 84 Cb -0.14 -3.52 0.42 0.00 1.34 0.00 0.00 72.50 70.61 1win s THR 84 CO 0.50 0.58 1.39 0.55 -0.54 0.00 0.00 174.62 177.11 1win n VAL 85 N 2.13 -0.26 -0.00 2.29 3.14 -1.26 0.14 118.33 124.51 1win n VAL 85 Ca -0.17 1.65 -0.12 0.00 -2.96 0.00 0.00 64.34 62.74 1win n VAL 85 Cb 0.54 -2.70 -0.07 0.00 -1.06 0.00 0.00 33.84 30.55 1win n VAL 85 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1win h GLU 86 N 0.00 0.09 -0.60 1.45 3.07 -1.99 -1.97 114.58 114.63 1win h GLU 86 Ca 0.78 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.60 1win h GLU 86 Cb 2.42 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 30.29 1win h GLU 86 CO -0.47 0.22 0.30 1.96 -1.40 0.00 0.00 179.01 179.62 1win h GLN 87 N -0.06 0.84 -0.05 2.33 4.20 0.83 0.16 115.11 123.36 1win h GLN 87 Ca 0.02 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1win h GLN 87 Cb 0.17 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1win h GLN 87 CO -0.00 0.64 0.02 0.82 -0.67 0.00 0.00 178.83 179.64 1win h ILE 88 N 0.84 1.12 -0.20 2.54 2.04 -1.07 -3.17 117.51 119.60 1win h ILE 88 Ca 0.21 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1win h ILE 88 Cb 0.07 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1win h ILE 88 CO -0.03 0.10 -0.18 1.88 0.00 0.00 0.00 178.15 179.92 1win h TYR 89 N -0.06 0.56 -0.54 1.37 0.05 -1.10 -3.27 116.97 113.98 1win h TYR 89 Ca 0.02 -0.16 0.05 0.00 0.05 0.00 0.00 58.73 58.68 1win h TYR 89 Cb 0.13 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 1win h TYR 89 CO -0.03 0.82 -0.32 1.04 -1.05 0.00 0.00 178.16 178.62 1win n GLN 90 N -4.47 -0.24 -3.52 4.88 1.13 0.55 -4.14 117.38 111.57 1win n GLN 90 Ca -0.05 1.03 -0.22 0.00 -1.94 0.00 0.00 57.00 55.81 1win n GLN 90 Cb 0.39 -1.52 -0.14 0.00 0.11 0.00 0.00 30.24 29.07 1win n GLN 90 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1win s ASP 91 N -4.70 2.11 0.11 1.08 1.47 -1.21 -5.02 116.67 110.52 1win s ASP 91 Ca -0.06 -0.61 -0.15 0.00 1.18 0.00 0.00 52.55 52.91 1win s ASP 91 Cb 0.06 0.07 -0.05 0.00 -0.34 0.00 0.00 42.92 42.66 1win s ASP 91 CO 0.33 -0.36 1.49 0.08 0.68 0.00 0.00 175.17 177.40 1win h ARG 92 N 8.36 0.71 -0.25 2.11 0.11 -1.71 -2.55 114.38 121.14 1win h ARG 92 Ca -0.17 -0.30 0.06 0.00 0.10 0.00 0.00 59.98 59.68 1win h ARG 92 Cb 1.11 -0.03 -0.07 0.00 1.11 0.00 0.00 29.97 32.09 1win h ARG 92 CO 0.32 0.90 -0.29 0.22 0.10 0.00 0.00 179.97 181.22 1win h ASP 93 N 0.49 -0.93 -0.32 0.08 3.58 -1.95 -1.29 116.42 116.09 1win h ASP 93 Ca 0.08 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1win h ASP 93 Cb 0.67 0.42 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 1win h ASP 93 CO 0.05 -0.32 0.21 -0.61 -2.88 0.00 0.00 179.24 175.69 1win h GLN 94 N -0.30 0.42 -0.21 0.28 5.75 -1.97 -2.11 115.11 116.96 1win h GLN 94 Ca 0.13 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1win h GLN 94 Cb 0.51 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.89 1win h GLN 94 CO -0.42 0.28 -0.50 0.35 -2.65 0.00 0.00 178.83 175.89 1win h PHE 95 N 0.43 -1.47 -0.93 3.99 3.57 -0.92 -0.77 116.94 120.83 1win h PHE 95 Ca 0.12 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1win h PHE 95 Cb -0.05 0.67 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 1win h PHE 95 CO -0.05 -0.51 0.57 0.00 -2.23 0.00 0.00 178.31 176.09 1win h ALA 96 N -0.04 1.34 -1.08 2.41 0.00 -1.17 -1.06 119.26 119.66 1win h ALA 96 Ca 0.07 0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.28 1win h ALA 96 Cb 0.64 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1win h ALA 96 CO -0.47 0.23 0.71 -0.22 0.00 0.00 0.00 179.25 179.50 1win h LYS 97 N 0.96 0.29 -0.08 0.00 3.64 -0.44 0.61 116.57 121.56 1win h LYS 97 Ca 0.44 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.63 1win h LYS 97 Cb 0.34 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1win h LYS 97 CO -0.23 0.19 -0.67 -0.07 -2.27 0.00 0.00 179.45 176.40 1win h LEU 98 N 0.30 0.38 -0.11 5.20 4.07 -0.88 -1.58 115.31 122.68 1win h LEU 98 Ca 0.60 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 58.28 1win h LEU 98 Cb 1.72 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 43.34 1win h LEU 98 CO -0.26 0.94 -0.11 0.58 -1.08 0.00 0.00 178.44 178.51 1win h VAL 99 N 0.23 1.36 0.00 1.22 2.07 0.21 -1.48 116.25 119.85 1win h VAL 99 Ca -0.02 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1win h VAL 99 Cb 1.22 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1win h VAL 99 CO 0.11 0.36 -0.10 0.08 0.02 0.00 0.00 177.57 178.04 1win h ARG 100 N -0.12 0.00 0.21 1.57 0.11 -1.16 -1.63 114.38 113.37 1win h ARG 100 Ca 0.02 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.77 1win h ARG 100 Cb 0.63 0.00 0.04 0.00 1.11 0.00 0.00 29.97 31.75 1win h ARG 100 CO 0.03 0.10 -1.41 0.93 0.10 0.00 0.00 179.97 179.72 1win h GLU 101 N 0.00 0.56 0.00 0.08 5.08 -1.18 0.16 114.58 119.28 1win h GLU 101 Ca -0.00 -0.89 -0.01 0.00 -1.00 0.00 0.00 59.36 57.46 1win h GLU 101 Cb 0.66 0.32 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1win h GLU 101 CO 0.01 1.42 -0.05 -0.24 -1.00 0.00 0.00 179.01 179.15 1win h VAL 102 N 0.19 0.09 0.06 3.13 3.04 -1.17 -3.30 116.25 118.29 1win h VAL 102 Ca -0.23 -1.09 -0.35 0.00 -1.01 0.00 0.00 66.70 64.01 1win h VAL 102 Cb 2.10 2.01 -0.04 0.00 -2.01 0.00 0.00 31.29 33.34 1win h VAL 102 CO 0.27 0.05 -2.06 0.00 -1.01 0.00 0.00 177.57 174.82 1win n ALA 103 N -2.11 1.19 -0.29 3.17 0.00 -0.62 -4.01 120.51 117.83 1win n ALA 103 Ca 0.04 -0.80 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 1win n ALA 103 Cb 0.53 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 1win n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win h ALA 104 N 0.36 -0.47 0.00 0.00 0.00 -1.03 0.85 119.26 118.97 1win h ALA 104 Ca -0.43 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1win h ALA 104 Cb 2.03 1.17 0.00 0.00 0.00 0.00 0.00 17.79 20.98 1win h ALA 104 CO 0.05 -0.92 0.00 -0.35 0.00 0.00 0.00 179.25 178.03 1win n PRO 105 N -5.35 0.10 -0.05 0.00 -0.04 -1.26 -3.24 135.00 125.17 1win n PRO 105 Ca 0.01 0.34 -0.02 0.00 -0.04 0.00 0.00 63.50 63.80 1win n PRO 105 Cb 0.32 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 32.08 1win n PRO 105 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1win h ASP 106 N 0.00 0.00 -0.98 3.54 5.19 0.36 -3.38 116.42 121.15 1win h ASP 106 Ca 0.00 0.00 0.32 0.00 -0.62 0.00 0.00 57.03 56.73 1win h ASP 106 Cb 0.30 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.66 1win h ASP 106 CO 0.00 0.52 0.47 -0.37 -3.12 0.00 0.00 179.24 176.74 1win h VAL 107 N -0.80 0.23 -1.41 -1.35 -1.51 -0.45 0.32 116.25 111.29 1win h VAL 107 Ca 0.00 -0.08 0.44 0.00 -1.23 0.00 0.00 66.70 65.83 1win h VAL 107 Cb 0.25 -0.02 -0.11 0.00 -2.13 0.00 0.00 31.29 29.28 1win h VAL 107 CO 0.00 0.04 0.94 1.23 -1.23 0.00 0.00 177.57 178.55 1win h GLY 108 N 0.23 0.95 0.27 5.19 0.00 -1.55 0.14 103.07 108.31 1win h GLY 108 Ca 0.71 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 48.00 1win h GLY 108 CO -0.66 -0.27 -0.25 3.21 0.00 0.00 0.00 176.54 178.56 1win h ARG 109 N 0.08 -0.31 -0.20 4.80 3.08 -0.57 -2.33 114.38 118.94 1win h ARG 109 Ca 0.80 0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.70 1win h ARG 109 Cb 2.69 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 32.80 1win h ARG 109 CO -0.30 -0.21 -0.57 0.00 -1.07 0.00 0.00 179.97 177.82 1win h MET 110 N -0.33 0.62 0.00 0.04 -0.00 -0.93 -3.48 114.93 110.86 1win h MET 110 Ca 0.10 -0.40 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 1win h MET 110 Cb 0.47 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1win h MET 110 CO -0.31 1.02 0.00 0.41 -0.00 0.00 0.00 176.91 178.03 1win n GLY 111 N 0.31 1.59 3.35 -3.00 0.00 -0.68 -3.75 105.19 103.01 1win n GLY 111 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 2.28 -0.15 -0.61 -1.09 -1.16 -2.97 121.20 115.50 1win s ILE 112 Ca 0.00 -1.06 -0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1win s ILE 112 Cb 0.00 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 39.05 1win s ILE 112 CO 0.00 0.56 -0.14 -0.70 -1.23 0.00 0.00 174.94 173.43 1win s GLU 113 N -0.70 3.28 0.31 2.79 2.12 -1.20 -3.34 118.70 121.96 1win s GLU 113 Ca 0.11 -0.72 -0.27 0.00 0.36 0.00 0.00 54.97 54.44 1win s GLU 113 Cb -0.10 -2.66 -0.09 0.00 0.26 0.00 0.00 34.13 31.53 1win s GLU 113 CO -0.00 0.05 0.99 0.96 -0.54 0.00 0.00 175.26 176.72 1win s ILE 114 N 0.75 3.96 -0.23 -3.70 -5.25 -1.26 -3.19 121.20 112.27 1win s ILE 114 Ca -0.06 1.75 -0.16 0.00 -0.99 0.00 0.00 60.65 61.19 1win s ILE 114 Cb -0.15 -4.03 -0.17 0.00 2.95 0.00 0.00 42.46 41.06 1win s ILE 114 CO 0.01 0.25 -0.00 0.18 -1.79 0.00 0.00 174.94 173.59 1win n LEU 115 N 0.81 2.02 -3.60 0.37 4.77 -0.10 -4.99 117.00 116.27 1win n LEU 115 Ca 0.01 0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 56.27 1win n LEU 115 Cb 0.48 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1win n LEU 115 CO 0.48 0.47 0.72 -0.55 -1.33 0.00 0.00 177.39 177.17 1win s SER 116 N -7.09 -0.28 -0.06 -1.43 0.15 -1.19 -4.98 113.70 98.82 1win s SER 116 Ca -0.32 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 1win s SER 116 Cb 0.09 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1win s SER 116 CO 0.57 -0.70 0.12 0.12 1.20 0.00 0.00 173.24 174.55 1win s PHE 117 N -3.14 -0.09 0.32 3.44 2.19 -1.26 -2.10 117.98 117.34 1win s PHE 117 Ca 0.08 0.45 0.04 0.00 0.33 0.00 0.00 56.93 57.83 1win s PHE 117 Cb -0.01 -0.30 -0.03 0.00 -1.31 0.00 0.00 43.02 41.37 1win s PHE 117 CO -0.05 -0.22 0.18 0.99 1.83 0.00 0.00 175.22 177.95 1win s THR 118 N 1.99 0.29 -0.17 0.12 2.01 0.11 -4.67 115.64 115.32 1win s THR 118 Ca 0.01 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.02 1win s THR 118 Cb -0.12 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.91 1win s THR 118 CO -0.05 0.00 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.07 1win s ILE 119 N -3.54 2.30 -0.05 1.82 -1.09 -1.26 -0.21 121.20 119.16 1win s ILE 119 Ca 0.35 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.80 1win s ILE 119 Cb 0.04 -1.96 -0.05 0.00 -1.58 0.00 0.00 42.46 38.91 1win s ILE 119 CO 0.19 0.53 0.42 0.50 -1.23 0.00 0.00 174.94 175.35 1win h LYS 120 N 7.62 -0.32 -2.32 2.79 1.63 -1.90 -3.47 116.57 120.60 1win h LYS 120 Ca -0.38 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.36 1win h LYS 120 Cb 1.17 0.07 -0.21 0.00 -0.60 0.00 0.00 32.23 32.66 1win h LYS 120 CO 0.59 -0.21 -0.00 0.34 -3.45 0.00 0.00 179.45 176.72 1win s ASP 121 N -4.77 -0.57 -0.10 4.20 -1.08 -1.26 -5.00 116.67 108.08 1win s ASP 121 Ca -0.05 0.93 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 1win s ASP 121 Cb 0.00 0.92 0.02 0.00 -1.46 0.00 0.00 42.92 42.41 1win s ASP 121 CO 0.15 -0.34 -0.08 0.54 0.52 0.00 0.00 175.17 175.96 1win s VAL 122 N -0.28 1.00 0.16 1.11 0.11 -1.26 -1.48 120.40 119.77 1win s VAL 122 Ca -0.05 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1win s VAL 122 Cb -0.03 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1win s VAL 122 CO 0.04 0.36 0.03 -0.72 -3.33 0.00 0.00 175.10 171.47 1win s TYR 123 N 1.52 1.07 -0.29 1.54 1.13 0.28 -4.97 117.35 117.62 1win s TYR 123 Ca 0.01 -1.12 -0.07 0.00 -1.41 0.00 0.00 57.07 54.48 1win s TYR 123 Cb -0.13 -0.61 0.01 0.00 -1.10 0.00 0.00 41.96 40.13 1win s TYR 123 CO -0.06 -0.35 0.08 0.16 -2.51 0.00 0.00 175.55 172.87 1win s ASP 124 N -3.13 5.13 0.26 -0.18 1.47 -1.26 0.40 116.67 119.37 1win s ASP 124 Ca 0.25 -0.69 -0.02 0.00 1.18 0.00 0.00 52.55 53.27 1win s ASP 124 Cb 0.07 -1.88 0.47 0.00 -0.34 0.00 0.00 42.92 41.23 1win s ASP 124 CO 0.03 -0.19 1.82 0.11 0.68 0.00 0.00 175.17 177.63 1win h LYS 125 N 8.24 0.85 -0.00 2.11 1.79 -1.91 0.26 116.57 127.91 1win h LYS 125 Ca -0.32 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1win h LYS 125 Cb 1.13 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1win h LYS 125 CO 0.60 0.56 -0.01 1.33 -1.08 0.00 0.00 179.45 180.85 1win n VAL 126 N -4.70 0.00 -4.23 0.50 0.24 -1.26 -4.90 118.33 103.98 1win n VAL 126 Ca 0.16 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.10 1win n VAL 126 Cb 0.32 -0.47 -0.08 0.00 -1.47 0.00 0.00 33.84 32.14 1win n VAL 126 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1win n ASP 127 N -1.33 -1.05 -0.10 -1.34 8.00 0.92 -4.79 116.55 116.86 1win n ASP 127 Ca 0.12 -1.14 -0.13 0.00 0.71 0.00 0.00 54.79 54.36 1win n ASP 127 Cb 0.27 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 39.89 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 -0.96 0.75 0.00 1.24 3.20 -1.91 -1.82 116.97 117.47 1win h TYR 128 Ca -0.55 -0.21 -0.10 0.00 3.14 0.00 0.00 58.73 61.01 1win h TYR 128 Cb 1.26 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1win h TYR 128 CO 0.60 0.91 -0.45 -0.07 -1.64 0.00 0.00 178.16 177.51 1win h LEU 129 N 0.38 0.00 -0.40 2.82 4.07 -1.96 -3.13 115.31 117.09 1win h LEU 129 Ca 0.06 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 1win h LEU 129 Cb 0.75 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1win h LEU 129 CO 0.05 0.45 -0.48 0.28 -1.08 0.00 0.00 178.44 177.67 1win h SER 130 N 0.00 0.00 -0.95 -0.43 0.02 -1.90 -3.15 113.55 107.14 1win h SER 130 Ca -0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1win h SER 130 Cb 1.20 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.45 1win h SER 130 CO 0.06 0.48 0.65 -0.24 -1.14 0.00 0.00 176.83 176.64 1win n SER 131 N -3.36 4.12 0.09 3.07 2.88 -0.69 -4.39 113.62 115.34 1win n SER 131 Ca 0.01 -3.55 -0.14 0.00 -1.33 0.00 0.00 58.87 53.86 1win n SER 131 Cb 0.65 -0.84 -0.13 0.00 -0.75 0.00 0.00 64.21 63.14 1win n SER 131 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1win h LEU 132 N 1.11 0.34 0.00 2.46 3.38 -1.62 -3.49 115.31 117.49 1win h LEU 132 Ca 0.61 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1win h LEU 132 Cb 2.59 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.23 1win h LEU 132 CO 1.10 1.28 0.00 0.61 0.09 0.00 0.00 178.44 181.52 1win n GLY 133 N 1.47 0.81 3.10 0.83 0.00 -1.26 -5.12 105.19 105.02 1win n GLY 133 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1win n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1win s LYS 134 N 0.38 2.70 -0.02 1.61 -2.85 -1.26 -5.11 119.74 115.18 1win s LYS 134 Ca 0.00 -0.73 -0.01 0.00 -1.00 0.00 0.00 55.97 54.24 1win s LYS 134 Cb 0.00 -2.29 0.02 0.00 -2.06 0.00 0.00 37.83 33.50 1win s LYS 134 CO 0.00 -0.12 0.05 0.99 0.10 0.00 0.00 175.35 176.36 1win s THR 135 N 1.12 -0.03 -0.58 3.79 2.01 -1.26 -5.11 115.64 115.58 1win s THR 135 Ca -0.01 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 1win s THR 135 Cb -0.14 -0.09 0.15 0.00 0.01 0.00 0.00 72.50 72.42 1win s THR 135 CO -0.07 0.05 0.42 -1.58 -0.69 0.00 0.00 174.62 172.76 1win s GLN 136 N 0.68 2.59 0.20 4.92 2.00 -1.26 -5.05 119.66 123.74 1win s GLN 136 Ca -0.06 -2.21 -0.04 0.00 -2.00 0.00 0.00 55.36 51.06 1win s GLN 136 Cb -0.08 -3.85 -0.03 0.00 0.80 0.00 0.00 33.01 29.85 1win s GLN 136 CO -0.02 -1.18 0.20 0.95 -0.50 0.00 0.00 175.29 174.74 1win s THR 137 N 0.53 0.01 -0.08 -0.34 -4.23 -1.26 -5.17 115.64 105.09 1win s THR 137 Ca 0.13 -1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1win s THR 137 Cb -0.21 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.29 1win s THR 137 CO -0.04 -0.04 0.19 -0.55 -0.54 0.00 0.00 174.62 173.64 1win s SER 138 N -3.12 -0.04 0.08 3.99 0.15 -1.26 -5.12 113.70 108.38 1win s SER 138 Ca 0.34 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1win s SER 138 Cb 0.05 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1win s SER 138 CO 0.10 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1win n GLY 139 N 4.41 -1.73 3.57 9.45 0.00 -1.26 -4.72 105.19 114.91 1win n GLY 139 Ca -0.23 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1win n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1win s PRO 140 N -1.74 2.97 0.34 1.61 0.04 -1.26 -4.97 135.00 131.99 1win s PRO 140 Ca 0.00 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 1win s PRO 140 Cb 0.00 -4.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.16 1win s PRO 140 CO 0.00 -2.31 1.14 -1.54 0.04 0.00 0.00 177.00 174.34 1win s SER 141 N 6.97 6.91 0.28 6.66 1.04 -1.26 -4.96 113.70 129.34 1win s SER 141 Ca 0.71 2.32 -0.30 0.00 0.48 0.00 0.00 55.95 59.16 1win s SER 141 Cb -0.16 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.21 1win s SER 141 CO 0.26 -0.40 1.47 -1.20 0.98 0.00 0.00 173.24 174.35 1win n SER 142 N 0.63 3.26 0.00 7.02 7.64 -1.26 -5.23 113.62 125.68 1win n SER 142 Ca 0.01 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1win n SER 142 Cb 0.46 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1win n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64