#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 5.34 -0.06 1.61 0.01 -1.26 -4.95 113.70 114.39 1win s SER 2 Ca 0.00 -2.95 -0.03 0.00 1.31 0.00 0.00 55.95 54.28 1win s SER 2 Cb 0.00 -1.87 -0.09 0.00 0.21 0.00 0.00 66.02 64.27 1win s SER 2 CO 0.00 -0.35 2.72 -0.24 0.41 0.00 0.00 173.24 175.78 1win n SER 3 N 3.37 5.49 -2.97 2.44 2.88 -1.26 -4.76 113.62 118.80 1win n SER 3 Ca 0.09 -2.56 -0.08 0.00 -1.33 0.00 0.00 58.87 55.00 1win n SER 3 Cb 0.38 -1.25 0.01 0.00 -0.75 0.00 0.00 64.21 62.60 1win n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1win n GLY 4 N 1.76 -1.20 3.37 0.46 0.00 -1.26 -4.99 105.19 103.32 1win n GLY 4 Ca 0.24 1.03 -0.36 0.00 0.00 0.00 0.00 46.02 46.93 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 -2.65 4.72 -0.16 1.61 1.04 -1.26 -5.08 113.70 111.92 1win s SER 5 Ca 0.18 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 1win s SER 5 Cb -0.05 -1.83 0.05 0.00 0.10 0.00 0.00 66.02 64.29 1win s SER 5 CO 0.77 -0.04 0.01 -0.55 0.98 0.00 0.00 173.24 174.42 1win s SER 6 N 1.54 2.58 0.00 7.02 0.15 -1.26 -5.03 113.70 118.69 1win s SER 6 Ca 0.06 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1win s SER 6 Cb -0.15 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1win s SER 6 CO 0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1win n GLY 7 N 5.04 1.44 1.75 9.45 0.00 -1.26 -5.00 105.19 116.60 1win n GLY 7 Ca -0.09 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 1.46 -4.30 1.61 0.00 -1.26 -4.83 117.38 110.06 1win n GLN 8 Ca 0.00 -0.77 -0.34 0.00 0.00 0.00 0.00 57.00 55.89 1win n GLN 8 Cb 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 30.24 28.75 1win n GLN 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1win s ARG 9 N -0.60 3.49 0.63 2.61 3.52 -1.26 -4.94 118.95 122.40 1win s ARG 9 Ca 0.21 -0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 1win s ARG 9 Cb 0.14 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 1win s ARG 9 CO -0.02 0.42 0.95 1.51 -0.81 0.00 0.00 175.30 177.36 1win n ILE 10 N 3.01 3.64 -3.51 4.11 3.06 -1.26 -4.63 119.36 123.78 1win n ILE 10 Ca -0.18 -0.48 -0.42 0.00 -2.50 0.00 0.00 62.75 59.17 1win n ILE 10 Cb 0.53 -1.13 -0.09 0.00 0.54 0.00 0.00 39.64 39.49 1win n ILE 10 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1win s SER 11 N -1.34 5.89 -0.16 9.51 1.04 -1.26 -4.93 113.70 122.45 1win s SER 11 Ca 0.76 -1.34 -0.22 0.00 0.48 0.00 0.00 55.95 55.64 1win s SER 11 Cb -0.40 -2.08 -0.24 0.00 0.10 0.00 0.00 66.02 63.40 1win s SER 11 CO 0.47 -0.56 0.47 0.25 0.98 0.00 0.00 173.24 174.85 1win h LEU 12 N 8.57 0.12 -9.02 2.42 5.85 -1.98 -3.46 115.31 117.81 1win h LEU 12 Ca -0.26 -0.75 -0.58 0.00 0.84 0.00 0.00 57.88 57.13 1win h LEU 12 Cb 1.10 -0.04 0.20 0.00 0.37 0.00 0.00 40.66 42.29 1win h LEU 12 CO 0.80 1.40 -1.41 -1.84 -0.34 0.00 0.00 178.44 177.05 1win n GLU 13 N -4.32 0.01 -1.67 1.25 0.28 -1.26 -4.02 120.64 110.90 1win n GLU 13 Ca -0.24 0.00 -0.46 0.00 -0.16 0.00 0.00 57.16 56.30 1win n GLU 13 Cb 0.70 -1.02 -0.04 0.00 1.43 0.00 0.00 31.44 32.51 1win n GLU 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1win n ILE 14 N -1.91 0.14 -4.46 3.84 5.41 -1.26 -4.71 119.36 116.42 1win n ILE 14 Ca 0.04 -0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.43 1win n ILE 14 Cb 0.51 -1.66 -0.11 0.00 -0.71 0.00 0.00 39.64 37.67 1win n ILE 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1win s MET 15 N 1.66 3.12 -0.43 0.38 0.23 0.12 -5.00 119.30 119.38 1win s MET 15 Ca 0.82 -0.48 -0.19 0.00 -1.03 0.00 0.00 55.69 54.80 1win s MET 15 Cb -0.66 -2.77 0.02 0.00 -1.53 0.00 0.00 34.83 29.89 1win s MET 15 CO 0.40 0.56 0.55 0.99 -2.03 0.00 0.00 175.02 175.49 1win s THR 16 N -0.49 4.95 -0.28 3.16 2.01 -1.26 -1.99 115.64 121.74 1win s THR 16 Ca 0.08 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1win s THR 16 Cb -0.12 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.29 1win s THR 16 CO 0.02 -0.52 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.67 1win s LEU 17 N 2.51 3.57 -0.54 4.42 1.02 -1.05 -5.00 118.68 123.60 1win s LEU 17 Ca 0.18 -0.97 -0.10 0.00 0.02 0.00 0.00 54.13 53.26 1win s LEU 17 Cb -0.15 -1.73 0.14 0.00 0.02 0.00 0.00 46.19 44.47 1win s LEU 17 CO 0.16 -0.19 0.43 0.00 0.02 0.00 0.00 176.35 176.77 1win s GLN 18 N 1.34 2.68 -0.27 1.70 -2.07 -1.26 -2.70 119.66 119.08 1win s GLN 18 Ca -0.01 -1.95 -0.29 0.00 -1.82 0.00 0.00 55.36 51.29 1win s GLN 18 Cb -0.18 -4.00 -0.02 0.00 -1.09 0.00 0.00 33.01 27.72 1win s GLN 18 CO -0.02 -1.22 1.65 -1.25 -1.32 0.00 0.00 175.29 173.13 1win s PRO 19 N 1.04 3.65 -0.11 9.60 0.04 -1.25 -4.86 135.00 143.11 1win s PRO 19 Ca 0.09 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1win s PRO 19 Cb -0.24 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.21 1win s PRO 19 CO -0.02 -1.48 -0.13 0.50 0.04 0.00 0.00 177.00 175.91 1win s ARG 20 N 4.97 3.14 -0.07 4.56 3.52 -0.93 -3.75 118.95 130.40 1win s ARG 20 Ca 0.73 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 55.66 1win s ARG 20 Cb -0.23 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1win s ARG 20 CO 0.31 0.33 -0.10 0.00 -0.81 0.00 0.00 175.30 175.03 1win s GLU 22 N -0.66 0.95 -1.44 0.00 2.02 -1.26 -1.45 118.70 116.87 1win s GLU 22 Ca 0.10 -1.08 -0.00 0.00 0.02 0.00 0.00 54.97 54.01 1win s GLU 22 Cb -0.11 -1.00 0.00 0.00 0.10 0.00 0.00 34.13 33.12 1win s GLU 22 CO 0.01 0.22 0.34 -0.40 0.02 0.00 0.00 175.26 175.45 1win n ASP 23 N 1.04 -0.08 -4.31 -0.19 5.75 -1.16 -4.92 116.55 112.69 1win n ASP 23 Ca -0.19 -1.06 -0.41 0.00 -0.01 0.00 0.00 54.79 53.12 1win n ASP 23 Cb 0.55 -2.77 -0.10 0.00 -1.03 0.00 0.00 41.12 37.77 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 -4.04 4.48 0.15 2.12 -7.23 -1.09 -4.82 120.40 109.98 1win s VAL 24 Ca 0.01 -1.25 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 1win s VAL 24 Cb -0.00 -3.69 -0.11 0.00 0.56 0.00 0.00 36.38 33.14 1win s VAL 24 CO 0.91 -0.48 1.79 -1.61 -0.31 0.00 0.00 175.10 175.40 1win s GLU 25 N 1.49 4.13 0.58 4.82 2.02 -1.25 -1.47 118.70 129.01 1win s GLU 25 Ca 0.03 2.60 -0.10 0.00 0.02 0.00 0.00 54.97 57.52 1win s GLU 25 Cb -0.23 -3.42 0.14 0.00 0.10 0.00 0.00 34.13 30.72 1win s GLU 25 CO 0.04 -0.81 0.66 0.25 0.02 0.00 0.00 175.26 175.41 1win n THR 26 N 4.48 0.00 -0.20 3.63 -2.24 0.20 -4.66 114.28 115.48 1win n THR 26 Ca 0.17 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1win n THR 26 Cb 0.37 -1.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.09 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 -2.10 -0.30 -0.40 6.98 0.00 0.08 -1.06 119.26 122.45 1win h ALA 27 Ca -0.22 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1win h ALA 27 Cb 0.65 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1win h ALA 27 CO 0.15 -0.81 -0.01 1.05 0.00 0.00 0.00 179.25 179.64 1win h GLU 28 N -0.22 0.71 0.00 0.00 4.11 -1.86 -3.47 114.58 113.84 1win h GLU 28 Ca 0.18 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1win h GLU 28 Cb 0.56 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1win h GLU 28 CO -0.68 0.80 0.00 0.41 0.07 0.00 0.00 179.01 179.61 1win n GLY 29 N -0.35 0.28 3.30 1.06 0.00 -0.40 -5.15 105.19 103.93 1win n GLY 29 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.46 3.03 -0.11 1.61 1.01 -1.26 -4.65 120.40 119.57 1win s VAL 30 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1win s VAL 30 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1win s VAL 30 CO 0.00 0.48 1.44 0.00 0.00 0.00 0.00 175.10 177.03 1win s ALA 31 N 0.99 3.64 0.34 5.51 0.00 -1.25 0.60 121.76 131.58 1win s ALA 31 Ca -0.01 0.69 0.09 0.00 0.00 0.00 0.00 51.96 52.74 1win s ALA 31 Cb -0.15 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.23 1win s ALA 31 CO -0.01 -1.26 -0.09 -0.51 0.00 0.00 0.00 175.76 173.88 1win s LEU 32 N 3.68 2.72 -0.20 0.00 2.01 -0.54 -4.37 118.68 121.98 1win s LEU 32 Ca 0.64 -1.20 -0.00 0.00 0.01 0.00 0.00 54.13 53.58 1win s LEU 32 Cb -0.27 -0.98 0.05 0.00 0.01 0.00 0.00 46.19 45.00 1win s LEU 32 CO 0.22 -0.21 -0.05 -0.89 1.01 0.00 0.00 176.35 176.43 1win s THR 33 N -2.63 1.23 -0.21 5.49 2.01 0.09 -2.67 115.64 118.94 1win s THR 33 Ca 0.32 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1win s THR 33 Cb 0.02 -1.47 0.04 0.00 0.01 0.00 0.00 72.50 71.10 1win s THR 33 CO 0.16 0.02 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.26 1win s VAL 34 N 1.56 2.02 0.02 3.82 1.01 -0.52 -0.84 120.40 127.46 1win s VAL 34 Ca -0.02 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.56 1win s VAL 34 Cb -0.17 -1.95 -0.17 0.00 0.00 0.00 0.00 36.38 34.09 1win s VAL 34 CO -0.07 0.31 1.36 0.74 0.00 0.00 0.00 175.10 177.44 1win h THR 35 N 6.26 0.93 -3.62 3.92 2.02 -0.86 0.20 112.91 121.76 1win h THR 35 Ca -0.35 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1win h THR 35 Cb 1.10 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1win h THR 35 CO 0.56 0.14 -0.92 0.61 0.37 0.00 0.00 175.52 176.27 1win n GLY 36 N -0.37 -4.22 3.23 2.16 0.00 -1.25 -2.19 105.19 102.55 1win n GLY 36 Ca -0.09 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.75 -0.63 -0.01 1.61 1.01 0.13 -3.80 120.40 113.96 1win s VAL 37 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1win s VAL 37 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1win s VAL 37 CO 0.00 0.07 0.05 0.00 0.00 0.00 0.00 175.10 175.22 1win s ALA 38 N 2.59 -0.11 0.35 5.51 0.00 -1.10 -0.21 121.76 128.80 1win s ALA 38 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 1win s ALA 38 Cb -0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 1win s ALA 38 CO -0.12 -0.06 0.66 -1.14 0.00 0.00 0.00 175.76 175.09 1win s GLN 39 N -0.35 3.69 -0.14 0.00 0.74 -1.12 -2.52 119.66 119.96 1win s GLN 39 Ca -0.04 0.22 -0.24 0.00 0.05 0.00 0.00 55.36 55.34 1win s GLN 39 Cb -0.03 -2.52 0.06 0.00 1.10 0.00 0.00 33.01 31.62 1win s GLN 39 CO 0.00 0.09 0.61 0.54 -0.55 0.00 0.00 175.29 175.97 1win s VAL 40 N -2.24 0.01 0.09 1.34 0.11 -0.84 -2.60 120.40 116.27 1win s VAL 40 Ca 0.47 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1win s VAL 40 Cb -0.10 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1win s VAL 40 CO 0.31 -0.03 -0.03 -1.59 -3.33 0.00 0.00 175.10 170.43 1win s LYS 41 N -0.40 0.77 -0.42 1.54 -2.85 -1.17 -0.70 119.74 116.51 1win s LYS 41 Ca -0.05 -1.31 -0.28 0.00 -1.00 0.00 0.00 55.97 53.32 1win s LYS 41 Cb -0.03 0.01 0.02 0.00 -2.06 0.00 0.00 37.83 35.77 1win s LYS 41 CO 0.04 -0.09 1.07 0.42 0.10 0.00 0.00 175.35 176.89 1win s ILE 42 N -3.79 4.37 1.00 3.79 -1.09 -1.26 -3.29 121.20 120.93 1win s ILE 42 Ca 0.12 1.32 -0.20 0.00 -2.23 0.00 0.00 60.65 59.65 1win s ILE 42 Cb 0.07 -4.50 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 1win s ILE 42 CO -0.06 -0.78 -0.60 0.23 -1.23 0.00 0.00 174.94 172.51 1win n MET 43 N 7.35 -0.92 -3.37 2.79 2.81 -1.23 -4.98 117.12 119.56 1win n MET 43 Ca 0.11 -0.26 -0.19 0.00 -1.81 0.00 0.00 57.70 55.55 1win n MET 43 Cb 0.48 -1.31 -0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 -2.09 3.88 -0.17 2.03 2.01 -1.26 -5.07 115.64 114.97 1win s THR 44 Ca 0.40 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 1win s THR 44 Cb -0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1win s THR 44 CO 0.55 -0.13 -0.06 -1.83 -0.69 0.00 0.00 174.62 172.45 1win s GLU 45 N -4.22 3.50 -0.24 4.92 1.03 -1.26 -4.99 118.70 117.44 1win s GLU 45 Ca 0.47 -0.60 -0.11 0.00 0.03 0.00 0.00 54.97 54.76 1win s GLU 45 Cb -0.10 -2.87 -0.11 0.00 -0.80 0.00 0.00 34.13 30.26 1win s GLU 45 CO 0.32 0.10 -0.31 1.63 -1.33 0.00 0.00 175.26 175.67 1win n LYS 46 N 3.92 0.52 0.01 -4.83 4.01 -1.26 -4.92 118.16 115.61 1win n LYS 46 Ca -0.18 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1win n LYS 46 Cb 0.52 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 1win n LYS 46 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1win n GLU 47 N -4.04 0.00 -3.67 1.97 2.13 -1.26 -5.08 120.64 110.69 1win n GLU 47 Ca -0.48 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.26 1win n GLU 47 Cb 0.85 -0.47 -0.10 0.00 0.27 0.00 0.00 31.44 31.99 1win n GLU 47 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1win s LEU 48 N -6.20 -0.44 -0.27 4.31 2.96 -1.26 -5.04 118.68 112.74 1win s LEU 48 Ca 0.00 1.04 0.09 0.00 -0.22 0.00 0.00 54.13 55.03 1win s LEU 48 Cb 0.00 1.52 0.45 0.00 0.50 0.00 0.00 46.19 48.66 1win s LEU 48 CO 0.00 -0.21 1.30 -0.11 -1.32 0.00 0.00 176.35 176.01 1win n LEU 49 N 4.73 3.91 0.28 -0.68 -0.00 -1.26 -4.72 117.00 119.26 1win n LEU 49 Ca -0.17 -4.15 0.14 0.00 -0.00 0.00 0.00 56.01 51.84 1win n LEU 49 Cb 0.53 -0.52 0.83 0.00 -0.00 0.00 0.00 43.42 44.26 1win n LEU 49 CO 0.03 1.59 1.04 0.00 -0.00 0.00 0.00 177.39 180.05 1win h ALA 50 N 1.39 1.33 -0.42 1.96 0.00 -1.96 0.30 119.26 121.87 1win h ALA 50 Ca 0.19 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1win h ALA 50 Cb 1.31 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1win h ALA 50 CO 0.38 0.09 0.08 -0.24 0.00 0.00 0.00 179.25 179.55 1win h VAL 51 N 0.00 0.77 0.01 0.00 3.04 -1.88 -2.75 116.25 115.45 1win h VAL 51 Ca -0.00 -0.07 -0.39 0.00 -1.01 0.00 0.00 66.70 65.22 1win h VAL 51 Cb 0.21 0.55 -0.07 0.00 -2.01 0.00 0.00 31.29 29.97 1win h VAL 51 CO 0.01 0.04 -2.46 0.00 -1.01 0.00 0.00 177.57 174.15 1win n ALA 52 N -2.47 1.39 -0.10 3.17 0.00 -1.06 -3.92 120.51 117.53 1win n ALA 52 Ca 0.03 -1.08 -0.06 0.00 0.00 0.00 0.00 53.44 52.33 1win n ALA 52 Cb 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.13 0.80 -0.75 0.00 4.81 -1.69 0.28 114.58 117.90 1win h GLU 54 Ca 0.04 -0.09 0.19 0.00 -0.13 0.00 0.00 59.36 59.37 1win h GLU 54 Cb 0.24 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1win h GLU 54 CO -0.31 0.62 0.52 0.37 -0.73 0.00 0.00 179.01 179.47 1win h GLN 55 N 0.80 0.19 0.00 1.92 4.15 -1.20 -3.07 115.11 117.90 1win h GLN 55 Ca 0.20 -0.01 -0.36 0.00 0.77 0.00 0.00 58.65 59.25 1win h GLN 55 Cb 0.07 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 1win h GLN 55 CO -0.03 0.13 -2.18 1.19 -1.93 0.00 0.00 178.83 176.01 1win n PHE 56 N -4.41 0.04 -0.92 3.99 3.72 -0.32 -4.93 117.46 114.63 1win n PHE 56 Ca 0.15 0.02 -0.32 0.00 -0.05 0.00 0.00 57.45 57.25 1win n PHE 56 Cb 0.69 -0.90 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 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 -4.30 -0.91 0.00 4.37 4.77 0.92 -1.07 117.00 120.78 1win n LEU 57 Ca -0.45 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1win n LEU 57 Cb 0.80 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1win n LEU 57 CO 0.07 -2.04 0.00 0.61 -1.33 0.00 0.00 177.39 174.70 1win n GLY 58 N 1.34 2.69 4.01 -0.72 0.00 -1.26 -4.91 105.19 106.34 1win n GLY 58 Ca 0.12 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 2.71 0.59 1.61 1.02 -0.23 -5.12 119.74 120.31 1win s LYS 59 Ca 0.00 -1.27 -0.05 0.00 0.02 0.00 0.00 55.97 54.67 1win s LYS 59 Cb 0.00 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1win s LYS 59 CO 0.00 -0.42 0.88 -0.80 -0.92 0.00 0.00 175.35 174.09 1win s ASN 60 N -4.41 5.47 0.60 2.83 -0.87 -1.26 -4.91 114.94 112.39 1win s ASN 60 Ca 0.56 0.55 0.28 0.00 -1.57 0.00 0.00 52.86 52.69 1win s ASN 60 Cb -0.09 -1.52 1.43 0.00 -0.02 0.00 0.00 41.25 41.05 1win s ASN 60 CO 0.35 -1.11 1.83 -0.37 -2.57 0.00 0.00 177.10 175.23 1win h VAL 61 N -0.14 0.29 -0.04 1.60 -1.51 -1.88 -0.68 116.25 113.88 1win h VAL 61 Ca -0.45 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.03 1win h VAL 61 Cb 1.27 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 1win h VAL 61 CO 0.59 0.00 -0.04 1.56 -1.23 0.00 0.00 177.57 178.45 1win h GLN 62 N 0.00 -0.05 -0.32 5.19 4.20 -1.97 -2.41 115.11 119.74 1win h GLN 62 Ca 0.22 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.99 1win h GLN 62 Cb 1.30 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 29.01 1win h GLN 62 CO -0.00 -0.04 -0.40 0.22 -0.67 0.00 0.00 178.83 177.94 1win h ASP 63 N -0.06 -1.30 0.00 1.46 3.58 -1.48 -0.66 116.42 117.96 1win h ASP 63 Ca 0.03 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1win h ASP 63 Cb 0.10 0.57 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1win h ASP 63 CO -0.08 -0.37 0.00 -0.38 -2.88 0.00 0.00 179.24 175.53 1win n ILE 64 N -5.42 0.00 -0.30 2.25 -0.00 -1.13 -0.24 119.36 114.52 1win n ILE 64 Ca -0.01 1.49 0.24 0.00 -0.00 0.00 0.00 62.75 64.47 1win n ILE 64 Cb 0.35 -2.29 0.45 0.00 -0.00 0.00 0.00 39.64 38.14 1win n ILE 64 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1win n LYS 65 N -2.36 -0.06 0.27 0.38 5.02 -0.92 -0.68 118.16 119.81 1win n LYS 65 Ca 0.00 1.30 -0.11 0.00 -2.02 0.00 0.00 58.31 57.48 1win n LYS 65 Cb 0.00 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 32.72 1win n LYS 65 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1win h ASN 66 N 0.00 -0.61 -0.88 4.39 2.35 -0.46 -1.85 115.58 118.52 1win h ASN 66 Ca 0.70 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 56.55 1win h ASN 66 Cb 1.74 0.16 -0.11 0.00 0.05 0.00 0.00 38.32 40.16 1win h ASN 66 CO -0.76 -0.31 -0.52 0.58 -1.65 0.00 0.00 177.43 174.77 1win h VAL 67 N -0.98 0.00 -0.42 2.81 2.07 0.17 0.29 116.25 120.20 1win h VAL 67 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1win h VAL 67 Cb 0.55 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1win h VAL 67 CO 0.12 0.00 0.03 0.58 0.02 0.00 0.00 177.57 178.32 1win h VAL 68 N -0.00 0.71 -0.50 2.57 2.07 -1.40 -1.90 116.25 117.80 1win h VAL 68 Ca 0.14 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1win h VAL 68 Cb 0.36 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1win h VAL 68 CO -0.83 0.03 0.11 0.25 0.02 0.00 0.00 177.57 177.15 1win h LEU 69 N 0.14 0.03 -0.70 2.57 5.85 0.12 -1.56 115.31 121.77 1win h LEU 69 Ca 0.21 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.12 1win h LEU 69 Cb 0.28 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1win h LEU 69 CO -0.32 0.04 0.30 1.56 -0.34 0.00 0.00 178.44 179.69 1win h GLN 70 N 0.25 0.48 0.01 1.25 1.08 0.23 0.30 115.11 118.72 1win h GLN 70 Ca 0.25 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.43 1win h GLN 70 Cb 0.33 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 1win h GLN 70 CO -0.31 0.32 -0.40 1.15 -0.95 0.00 0.00 178.83 178.64 1win h THR 71 N 0.50 0.00 0.30 -0.54 2.02 -0.87 0.23 112.91 114.55 1win h THR 71 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1win h THR 71 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1win h THR 71 CO -0.33 0.00 -0.14 -0.07 0.37 0.00 0.00 175.52 175.35 1win h LEU 72 N -0.51 -0.34 -0.60 2.58 3.38 -1.37 -2.71 115.31 115.74 1win h LEU 72 Ca 0.01 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1win h LEU 72 Cb 0.54 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 1win h LEU 72 CO -0.26 -0.09 -0.54 -0.08 0.09 0.00 0.00 178.44 177.56 1win h GLU 73 N -0.59 -0.25 -0.52 1.13 4.22 -0.29 0.22 114.58 118.51 1win h GLU 73 Ca -0.04 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.52 1win h GLU 73 Cb 0.43 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 1win h GLU 73 CO 0.07 -0.17 -0.02 0.78 -2.18 0.00 0.00 179.01 177.49 1win h GLY 74 N -0.26 0.51 1.14 1.92 0.00 -0.55 -0.52 103.07 105.31 1win h GLY 74 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1win h GLY 74 CO -0.71 -0.16 0.57 0.45 0.00 0.00 0.00 176.54 176.69 1win h HIS 75 N 0.10 1.07 -0.74 5.60 3.86 -0.76 -2.14 115.15 122.13 1win h HIS 75 Ca 0.26 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.65 1win h HIS 75 Cb 0.40 -0.36 -0.10 0.00 1.06 0.00 0.00 27.41 28.41 1win h HIS 75 CO -0.34 0.66 0.23 1.25 0.86 0.00 0.00 177.93 180.60 1win h LEU 76 N 1.14 0.13 -0.34 2.43 5.85 0.11 0.24 115.31 124.87 1win h LEU 76 Ca 0.32 0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.97 1win h LEU 76 Cb -0.11 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1win h LEU 76 CO -0.07 0.02 -0.80 -0.09 -0.34 0.00 0.00 178.44 177.16 1win h ARG 77 N 0.34 0.36 0.02 1.25 2.43 -1.28 -2.27 114.38 115.22 1win h ARG 77 Ca 0.41 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1win h ARG 77 Cb 0.68 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1win h ARG 77 CO -0.46 0.98 -0.01 0.66 -1.51 0.00 0.00 179.97 179.63 1win h SER 78 N 0.23 -0.02 0.32 -3.80 4.64 -0.38 -2.97 113.55 111.57 1win h SER 78 Ca -0.04 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1win h SER 78 Cb 1.39 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1win h SER 78 CO 0.13 0.15 -0.15 0.40 -0.87 0.00 0.00 176.83 176.49 1win h ILE 79 N -0.19 0.00 -0.58 0.95 1.08 -0.69 -3.18 117.51 114.90 1win h ILE 79 Ca -0.00 -0.17 0.24 0.00 -0.39 0.00 0.00 64.86 64.53 1win h ILE 79 Cb 0.18 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.82 1win h ILE 79 CO 0.00 0.00 0.30 -0.11 -0.69 0.00 0.00 178.15 177.66 1win n LEU 80 N -3.62 0.19 -0.06 1.44 0.00 -0.86 -0.59 117.00 113.49 1win n LEU 80 Ca -0.05 0.96 -0.03 0.00 0.00 0.00 0.00 56.01 56.89 1win n LEU 80 Cb 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 43.42 43.10 1win n LEU 80 CO 0.13 -1.07 0.50 1.23 0.00 0.00 0.00 177.39 178.17 1win h GLY 81 N 0.00 -2.02 -0.53 -3.96 0.00 -1.49 0.23 103.07 95.29 1win h GLY 81 Ca 0.49 0.95 0.34 0.00 0.00 0.00 0.00 47.33 49.11 1win h GLY 81 CO -0.45 -0.70 0.79 0.00 0.00 0.00 0.00 176.54 176.18 1win h THR 82 N -0.05 0.36 -3.75 4.70 1.03 -1.02 0.41 112.91 114.60 1win h THR 82 Ca 0.03 -0.07 -0.49 0.00 -0.01 0.00 0.00 66.41 65.86 1win h THR 82 Cb 0.12 0.13 -0.02 0.00 -1.07 0.00 0.00 68.15 67.31 1win h THR 82 CO -0.18 0.04 0.35 -0.76 -0.01 0.00 0.00 175.52 174.96 1win s LEU 83 N -9.27 4.64 0.22 0.00 1.43 0.81 -4.68 118.68 111.83 1win s LEU 83 Ca -0.08 1.95 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 1win s LEU 83 Cb 0.26 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.78 1win s LEU 83 CO 0.81 0.15 0.67 0.42 0.23 0.00 0.00 176.35 178.63 1win s THR 84 N -1.19 4.69 0.33 5.49 -4.23 -1.26 -2.62 115.64 116.85 1win s THR 84 Ca 0.41 1.06 0.10 0.00 -1.18 0.00 0.00 61.69 62.09 1win s THR 84 Cb -0.26 -3.77 0.39 0.00 1.34 0.00 0.00 72.50 70.20 1win s THR 84 CO 0.32 0.14 1.56 0.55 -0.54 0.00 0.00 174.62 176.64 1win n VAL 85 N 0.53 -0.42 0.09 2.29 3.14 -1.26 -1.42 118.33 121.28 1win n VAL 85 Ca -0.02 2.10 -0.04 0.00 -2.96 0.00 0.00 64.34 63.43 1win n VAL 85 Cb 0.52 -3.22 -0.02 0.00 -1.06 0.00 0.00 33.84 30.06 1win n VAL 85 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1win h GLU 86 N 0.00 -0.22 -0.95 1.45 4.81 -2.01 -3.03 114.58 114.63 1win h GLU 86 Ca 0.71 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 60.11 1win h GLU 86 Cb 1.68 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 30.95 1win h GLU 86 CO -0.86 -0.15 -0.34 1.04 -0.73 0.00 0.00 179.01 177.97 1win n GLN 87 N -2.66 -0.19 -0.25 1.92 6.02 -0.51 -0.85 117.38 120.85 1win n GLN 87 Ca -0.03 1.47 -0.09 0.00 -0.01 0.00 0.00 57.00 58.33 1win n GLN 87 Cb 0.09 -2.18 -0.08 0.00 1.02 0.00 0.00 30.24 29.10 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 0.00 -0.28 5.09 2.04 -1.26 0.15 117.51 123.25 1win h ILE 88 Ca 0.36 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.28 1win h ILE 88 Cb 0.59 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1win h ILE 88 CO -0.95 0.00 -0.15 1.88 0.00 0.00 0.00 178.15 178.93 1win h TYR 89 N -0.11 -0.38 -0.01 1.37 0.05 -0.87 0.31 116.97 117.34 1win h TYR 89 Ca 0.10 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1win h TYR 89 Cb 0.37 0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 1win h TYR 89 CO -0.90 -0.23 -0.31 1.96 -1.05 0.00 0.00 178.16 177.63 1win h GLN 90 N -0.12 -0.37 -2.80 4.88 4.20 -0.29 -3.33 115.11 117.28 1win h GLN 90 Ca 0.15 0.02 -0.61 0.00 0.06 0.00 0.00 58.65 58.27 1win h GLN 90 Cb 0.35 0.08 -0.41 0.00 0.30 0.00 0.00 27.48 27.80 1win h GLN 90 CO -0.36 -0.24 -0.68 -0.25 -0.67 0.00 0.00 178.83 176.63 1win n ASP 91 N -4.18 2.22 0.14 1.46 8.00 0.36 -4.89 116.55 119.66 1win n ASP 91 Ca -0.04 -3.03 0.04 0.00 0.71 0.00 0.00 54.79 52.47 1win n ASP 91 Cb 0.22 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1win n ASP 91 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1win h ARG 92 N 5.28 0.00 -0.07 -1.24 -0.00 -0.51 -3.30 114.38 114.54 1win h ARG 92 Ca 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 60.19 1win h ARG 92 Cb 0.78 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.72 1win h ARG 92 CO 0.64 0.42 -0.09 -0.44 -0.00 0.00 0.00 179.97 180.49 1win h ASP 93 N 0.00 -0.29 -0.13 0.08 5.19 -1.90 -2.78 116.42 116.59 1win h ASP 93 Ca -0.01 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1win h ASP 93 Cb 1.34 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 1win h ASP 93 CO 0.05 -0.13 0.08 -0.61 -3.12 0.00 0.00 179.24 175.51 1win h GLN 94 N -0.13 0.18 -0.89 3.56 5.75 -1.97 -3.06 115.11 118.55 1win h GLN 94 Ca 0.06 -0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.66 1win h GLN 94 Cb 0.21 -0.04 -0.14 0.00 1.07 0.00 0.00 27.48 28.59 1win h GLN 94 CO -0.15 0.18 -0.44 0.35 -2.65 0.00 0.00 178.83 176.13 1win h PHE 95 N 0.14 -1.29 -0.84 3.99 3.57 -1.58 0.33 116.94 121.25 1win h PHE 95 Ca 0.05 0.10 0.20 0.00 3.53 0.00 0.00 57.97 61.86 1win h PHE 95 Cb 0.05 0.69 -0.15 0.00 2.79 0.00 0.00 35.95 39.33 1win h PHE 95 CO -0.05 -0.40 0.01 0.00 -2.23 0.00 0.00 178.31 175.64 1win h ALA 96 N 1.01 0.91 0.19 2.41 0.00 -1.39 -0.66 119.26 121.73 1win h ALA 96 Ca 0.27 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1win h ALA 96 Cb 0.55 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1win h ALA 96 CO -0.90 -0.46 -0.41 -0.22 0.00 0.00 0.00 179.25 177.26 1win h LYS 97 N 0.08 -0.67 -1.49 0.00 3.64 -0.41 -0.23 116.57 117.50 1win h LYS 97 Ca 0.47 0.05 0.43 0.00 -1.27 0.00 0.00 60.65 60.33 1win h LYS 97 Cb 0.88 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 1win h LYS 97 CO -0.75 -0.44 1.27 -0.07 -2.27 0.00 0.00 179.45 177.18 1win h LEU 98 N -0.69 0.00 0.18 5.20 4.07 -0.82 1.27 115.31 124.52 1win h LEU 98 Ca 0.01 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.64 1win h LEU 98 Cb 0.69 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.44 1win h LEU 98 CO -0.20 0.00 -1.63 0.58 -1.08 0.00 0.00 178.44 176.11 1win h VAL 99 N 0.00 1.00 -0.34 1.22 2.07 -0.95 -2.98 116.25 116.27 1win h VAL 99 Ca 0.71 -2.50 -0.10 0.00 0.82 0.00 0.00 66.70 65.62 1win h VAL 99 Cb 3.23 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 35.78 1win h VAL 99 CO -0.01 0.82 -0.22 0.08 0.02 0.00 0.00 177.57 178.26 1win h ARG 100 N 0.01 0.66 -0.10 1.57 0.11 0.23 0.00 114.38 116.87 1win h ARG 100 Ca -0.32 -0.25 -0.05 0.00 0.10 0.00 0.00 59.98 59.45 1win h ARG 100 Cb 2.02 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 33.06 1win h ARG 100 CO 0.16 0.83 -0.15 1.05 0.10 0.00 0.00 179.97 181.97 1win h GLU 101 N 0.58 0.27 0.00 0.08 -0.00 -0.73 0.46 114.58 115.24 1win h GLU 101 Ca 0.09 -0.16 -0.07 0.00 -0.00 0.00 0.00 59.36 59.22 1win h GLU 101 Cb 0.69 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.45 1win h GLU 101 CO 0.05 0.73 -0.32 -0.24 -0.00 0.00 0.00 179.01 179.23 1win h VAL 102 N -0.17 1.01 0.18 -1.06 3.04 -1.48 -3.11 116.25 114.66 1win h VAL 102 Ca 0.01 -1.21 -0.35 0.00 -1.01 0.00 0.00 66.70 64.14 1win h VAL 102 Cb 0.71 1.69 0.01 0.00 -2.01 0.00 0.00 31.29 31.69 1win h VAL 102 CO 0.03 0.32 -1.77 0.00 -1.01 0.00 0.00 177.57 175.14 1win h ALA 103 N 1.68 0.18 -0.69 3.17 0.00 -0.94 -3.30 119.26 119.36 1win h ALA 103 Ca -0.00 -1.17 0.06 0.00 0.00 0.00 0.00 54.91 53.80 1win h ALA 103 Cb 0.67 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1win h ALA 103 CO 0.04 1.06 -0.41 0.00 0.00 0.00 0.00 179.25 179.94 1win n ALA 104 N -2.87 -0.44 0.09 0.00 0.00 0.16 0.11 120.51 117.56 1win n ALA 104 Ca -0.25 0.59 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 1win n ALA 104 Cb 1.07 -0.09 0.20 0.00 0.00 0.00 0.00 19.45 20.63 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 0.23 0.31 0.00 0.13 -1.75 -2.72 132.00 128.20 1win h PRO 105 Ca 0.11 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1win h PRO 105 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1win h PRO 105 CO -0.65 0.65 -0.15 0.22 -0.23 0.00 0.00 178.00 177.84 1win h ASP 106 N 0.18 -0.35 -0.60 1.44 3.58 0.64 -3.05 116.42 118.27 1win h ASP 106 Ca 0.01 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1win h ASP 106 Cb 0.89 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 1win h ASP 106 CO 0.07 -0.20 0.31 -0.37 -2.88 0.00 0.00 179.24 176.17 1win h VAL 107 N -0.47 1.20 -0.89 2.25 -1.51 -0.55 -3.07 116.25 113.22 1win h VAL 107 Ca -0.04 -0.54 0.16 0.00 -1.23 0.00 0.00 66.70 65.04 1win h VAL 107 Cb 0.35 0.46 -0.16 0.00 -2.13 0.00 0.00 31.29 29.82 1win h VAL 107 CO 0.07 0.23 -0.29 0.61 -1.23 0.00 0.00 177.57 176.95 1win n GLY 108 N -1.00 -1.68 0.33 5.19 0.00 -1.03 0.21 105.19 107.22 1win n GLY 108 Ca 0.04 0.98 0.02 0.00 0.00 0.00 0.00 46.02 47.05 1win n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1win h ARG 109 N 0.00 -0.02 -0.44 1.61 3.08 -1.55 0.25 114.38 117.31 1win h ARG 109 Ca 0.36 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.35 1win h ARG 109 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1win h ARG 109 CO -0.90 -0.01 0.03 0.52 -1.07 0.00 0.00 179.97 178.53 1win h MET 110 N -0.02 0.75 0.00 0.04 2.86 -0.40 -3.47 114.93 114.68 1win h MET 110 Ca 0.38 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1win h MET 110 Cb 0.62 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1win h MET 110 CO -0.88 0.81 0.00 0.41 1.06 0.00 0.00 176.91 178.30 1win n GLY 111 N -0.42 1.22 3.19 8.32 0.00 0.86 -3.46 105.19 114.90 1win n GLY 111 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1win n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1win s ILE 112 N -1.47 1.67 -0.14 -0.61 -1.09 -1.19 -3.56 121.20 114.81 1win s ILE 112 Ca 0.00 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1win s ILE 112 Cb 0.00 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.43 1win s ILE 112 CO 0.00 0.47 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.43 1win s GLU 113 N -0.06 3.47 0.08 2.79 2.56 -1.21 -3.14 118.70 123.19 1win s GLU 113 Ca -0.03 -0.55 -0.19 0.00 0.00 0.00 0.00 54.97 54.20 1win s GLU 113 Cb -0.12 -2.81 -0.07 0.00 2.00 0.00 0.00 34.13 33.13 1win s GLU 113 CO 0.03 0.32 0.56 0.96 -0.56 0.00 0.00 175.26 176.56 1win s ILE 114 N 0.14 4.77 -0.17 -3.70 -5.25 -1.26 -3.06 121.20 112.67 1win s ILE 114 Ca -0.02 1.15 -0.14 0.00 -0.99 0.00 0.00 60.65 60.65 1win s ILE 114 Cb -0.14 -3.87 -0.10 0.00 2.95 0.00 0.00 42.46 41.30 1win s ILE 114 CO 0.03 0.52 0.00 -0.07 -1.79 0.00 0.00 174.94 173.63 1win h LEU 115 N 4.43 0.00 -8.04 0.37 -0.00 -1.89 -3.50 115.31 106.69 1win h LEU 115 Ca -0.50 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.16 1win h LEU 115 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.84 1win h LEU 115 CO 0.63 1.06 0.21 -0.55 -0.00 0.00 0.00 178.44 179.79 1win s SER 116 N -6.20 -0.07 -0.15 -0.43 0.15 -1.26 -5.00 113.70 100.74 1win s SER 116 Ca -0.20 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 55.47 1win s SER 116 Cb 0.04 0.78 0.07 0.00 -1.71 0.00 0.00 66.02 65.19 1win s SER 116 CO 0.37 -1.50 0.29 0.12 1.20 0.00 0.00 173.24 173.73 1win s PHE 117 N -3.12 -0.50 0.25 3.44 2.19 -1.26 -2.79 117.98 116.19 1win s PHE 117 Ca 0.15 1.05 0.01 0.00 0.33 0.00 0.00 56.93 58.47 1win s PHE 117 Cb -0.05 0.02 -0.05 0.00 -1.31 0.00 0.00 43.02 41.63 1win s PHE 117 CO 0.10 -0.40 0.10 0.99 1.83 0.00 0.00 175.22 177.84 1win s THR 118 N 2.46 0.49 -0.14 0.12 2.01 0.70 -4.53 115.64 116.75 1win s THR 118 Ca 0.01 -2.00 -0.07 0.00 0.31 0.00 0.00 61.69 59.94 1win s THR 118 Cb -0.12 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1win s THR 118 CO -0.10 0.00 0.13 -0.63 -0.69 0.00 0.00 174.62 173.34 1win s ILE 119 N -3.79 5.44 -0.25 1.82 -1.09 -1.26 0.19 121.20 122.25 1win s ILE 119 Ca 0.38 0.19 -0.15 0.00 -2.23 0.00 0.00 60.65 58.83 1win s ILE 119 Cb 0.08 -3.39 -0.11 0.00 -1.58 0.00 0.00 42.46 37.46 1win s ILE 119 CO 0.14 0.58 -0.33 1.17 -1.23 0.00 0.00 174.94 175.26 1win n LYS 120 N 2.31 0.57 -3.60 2.79 3.00 -1.26 -4.82 118.16 117.15 1win n LYS 120 Ca -0.19 0.26 -0.14 0.00 -0.00 0.00 0.00 58.31 58.25 1win n LYS 120 Cb 0.54 -1.49 -0.07 0.00 0.00 0.00 0.00 35.03 34.02 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 -7.12 -0.65 -0.06 3.14 1.01 -1.26 -4.97 116.67 106.77 1win s ASP 121 Ca -0.36 1.10 -0.02 0.00 0.71 0.00 0.00 52.55 53.99 1win s ASP 121 Cb 0.12 1.07 0.03 0.00 1.01 0.00 0.00 42.92 45.15 1win s ASP 121 CO 0.48 -0.32 0.03 -0.69 0.21 0.00 0.00 175.17 174.88 1win s VAL 122 N -0.10 0.16 0.26 -1.27 1.01 -1.26 -0.22 120.40 118.98 1win s VAL 122 Ca -0.02 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1win s VAL 122 Cb -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1win s VAL 122 CO 0.02 0.22 0.12 -0.72 0.00 0.00 0.00 175.10 174.74 1win s TYR 123 N 2.06 1.48 -0.23 5.22 1.13 -0.02 -4.99 117.35 121.99 1win s TYR 123 Ca 0.05 -1.28 -0.05 0.00 -1.41 0.00 0.00 57.07 54.38 1win s TYR 123 Cb -0.12 -0.82 -0.01 0.00 -1.10 0.00 0.00 41.96 39.91 1win s TYR 123 CO -0.04 -0.46 -0.01 0.16 -2.51 0.00 0.00 175.55 172.70 1win s ASP 124 N -3.30 4.57 0.05 -0.18 -4.77 -1.26 -0.74 116.67 111.04 1win s ASP 124 Ca 0.38 -0.33 -0.17 0.00 -3.30 0.00 0.00 52.55 49.13 1win s ASP 124 Cb 0.07 -1.80 -0.20 0.00 -1.09 0.00 0.00 42.92 39.90 1win s ASP 124 CO 0.15 -0.02 1.20 0.11 0.70 0.00 0.00 175.17 177.30 1win h LYS 125 N 8.15 0.57 0.00 2.11 1.79 -1.91 -3.09 116.57 124.19 1win h LYS 125 Ca -0.40 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.54 1win h LYS 125 Cb 1.17 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1win h LYS 125 CO 0.60 1.15 0.00 -0.39 -1.08 0.00 0.00 179.45 179.72 1win h VAL 126 N 0.18 0.00 -6.20 0.50 -1.51 -1.95 -3.46 116.25 103.82 1win h VAL 126 Ca -0.06 -0.16 -0.47 0.00 -1.23 0.00 0.00 66.70 64.78 1win h VAL 126 Cb 1.32 0.96 -0.07 0.00 -2.13 0.00 0.00 31.29 31.37 1win h VAL 126 CO 0.13 0.00 -0.74 0.47 -1.23 0.00 0.00 177.57 176.21 1win n ASP 127 N -2.70 -4.49 -0.03 4.19 8.00 -1.17 -4.89 116.55 115.47 1win n ASP 127 Ca -0.01 -0.75 -0.08 0.00 0.71 0.00 0.00 54.79 54.67 1win n ASP 127 Cb 0.14 -3.61 -0.06 0.00 -0.02 0.00 0.00 41.12 37.57 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1win h TYR 128 N -1.81 -0.06 -0.12 1.24 3.20 -1.89 -2.74 116.97 114.80 1win h TYR 128 Ca -0.56 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.12 1win h TYR 128 Cb 1.37 0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.66 1win h TYR 128 CO 0.59 0.40 -0.67 1.37 -1.64 0.00 0.00 178.16 178.22 1win h LEU 129 N -0.98 0.80 -1.13 2.82 8.10 -1.97 -3.22 115.31 119.74 1win h LEU 129 Ca -0.01 -0.64 -0.00 0.00 0.11 0.00 0.00 57.88 57.34 1win h LEU 129 Cb 0.48 -0.24 -0.04 0.00 -0.44 0.00 0.00 40.66 40.43 1win h LEU 129 CO 0.01 1.31 0.47 -1.28 -4.11 0.00 0.00 178.44 174.85 1win h SER 130 N 0.34 0.94 -0.18 0.17 0.87 -1.95 -2.77 113.55 110.98 1win h SER 130 Ca -0.05 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1win h SER 130 Cb 1.31 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1win h SER 130 CO 0.14 0.72 -0.10 0.28 -0.53 0.00 0.00 176.83 177.34 1win h SER 131 N 1.09 -0.33 -0.77 6.23 0.02 -1.49 -1.00 113.55 117.29 1win h SER 131 Ca 0.28 0.08 0.17 0.00 -0.84 0.00 0.00 61.79 61.48 1win h SER 131 Cb -0.04 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1win h SER 131 CO -0.05 -0.13 0.52 -0.07 -1.14 0.00 0.00 176.83 175.96 1win h LEU 132 N -0.09 0.30 -3.40 5.07 3.38 -1.52 -3.47 115.31 115.58 1win h LEU 132 Ca 0.10 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 1win h LEU 132 Cb 0.24 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1win h LEU 132 CO -0.23 0.14 -1.10 0.61 0.09 0.00 0.00 178.44 177.95 1win n GLY 133 N -1.56 -0.07 3.57 0.83 0.00 -0.38 -4.71 105.19 102.86 1win n GLY 133 Ca 0.15 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.51 1win n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1win s LYS 134 N -1.83 3.00 -0.43 1.61 -0.14 -1.26 -4.74 119.74 115.95 1win s LYS 134 Ca 0.21 -1.02 0.04 0.00 -1.36 0.00 0.00 55.97 53.84 1win s LYS 134 Cb -0.02 -5.26 0.46 0.00 -1.68 0.00 0.00 37.83 31.32 1win s LYS 134 CO 0.51 -3.12 1.52 2.41 -0.76 0.00 0.00 175.35 175.91 1win n THR 135 N 7.39 2.94 -1.33 2.17 -1.04 -1.26 -5.04 114.28 118.11 1win n THR 135 Ca 0.42 -3.66 -0.29 0.00 -2.04 0.00 0.00 64.05 58.47 1win n THR 135 Cb 0.47 -1.10 0.18 0.00 -1.82 0.00 0.00 70.33 68.06 1win n THR 135 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1win s GLN 136 N -3.67 0.18 -0.07 -2.82 1.11 -1.26 -5.09 119.66 108.05 1win s GLN 136 Ca 0.56 0.19 -0.14 0.00 0.01 0.00 0.00 55.36 55.97 1win s GLN 136 Cb 0.45 -1.74 0.03 0.00 -1.01 0.00 0.00 33.01 30.74 1win s GLN 136 CO 0.02 -2.82 0.34 0.99 0.01 0.00 0.00 175.29 173.83 1win s THR 137 N -3.16 0.03 0.03 -0.19 2.01 -1.26 -5.17 115.64 107.93 1win s THR 137 Ca 0.67 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.40 1win s THR 137 Cb -0.14 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1win s THR 137 CO 0.55 -0.14 0.00 -0.55 -0.69 0.00 0.00 174.62 173.80 1win s SER 138 N -0.66 0.31 0.00 3.53 0.15 -1.26 -5.12 113.70 110.65 1win s SER 138 Ca -0.08 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1win s SER 138 Cb -0.04 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1win s SER 138 CO 0.03 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1win n GLY 139 N 0.88 2.28 3.60 9.45 0.00 -1.26 -4.95 105.19 115.20 1win n GLY 139 Ca -0.19 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 -4.38 3.47 -0.19 1.61 0.04 -1.26 -4.99 135.00 129.31 1win s PRO 140 Ca 0.00 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 1win s PRO 140 Cb 0.00 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.42 1win s PRO 140 CO 0.00 -1.69 -0.14 -1.12 0.04 0.00 0.00 177.00 174.09 1win s SER 141 N 5.29 3.61 0.04 6.66 0.01 -1.26 -5.10 113.70 122.95 1win s SER 141 Ca 0.74 -0.53 -0.20 0.00 1.31 0.00 0.00 55.95 57.28 1win s SER 141 Cb -0.21 -1.58 0.04 0.00 0.21 0.00 0.00 66.02 64.48 1win s SER 141 CO 0.33 0.01 0.45 -0.94 0.41 0.00 0.00 173.24 173.50 1win s SER 142 N 1.25 -0.34 0.00 2.44 1.04 -1.26 -5.26 113.70 111.56 1win s SER 142 Ca 0.03 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1win s SER 142 Cb -0.14 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1win s SER 142 CO -0.07 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.08