#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 0.79 -0.26 1.61 1.04 -1.26 -5.13 113.70 110.49 1win s SER 2 Ca 0.00 -0.12 -0.19 0.00 0.48 0.00 0.00 55.95 56.12 1win s SER 2 Cb 0.00 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1win s SER 2 CO 0.00 0.08 0.55 -0.55 0.98 0.00 0.00 173.24 174.30 1win s SER 3 N -0.17 6.48 0.00 7.02 0.15 -1.26 -4.98 113.70 120.94 1win s SER 3 Ca 0.02 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1win s SER 3 Cb -0.03 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1win s SER 3 CO -0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1win n GLY 4 N 4.32 3.82 3.37 9.45 0.00 -1.26 -5.12 105.19 119.76 1win n GLY 4 Ca -0.03 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1win n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1win s SER 5 N 0.00 5.21 -0.22 1.61 1.04 -1.26 -5.08 113.70 115.00 1win s SER 5 Ca 0.00 -0.63 -0.09 0.00 0.48 0.00 0.00 55.95 55.71 1win s SER 5 Cb 0.00 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 1win s SER 5 CO 0.00 -0.18 0.11 -0.94 0.98 0.00 0.00 173.24 173.20 1win s SER 6 N 1.53 5.75 0.05 7.02 1.04 -1.26 -5.09 113.70 122.74 1win s SER 6 Ca 0.03 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1win s SER 6 Cb -0.17 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1win s SER 6 CO 0.03 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1win n GLY 7 N 4.12 1.61 2.39 7.32 0.00 -1.26 -5.00 105.19 114.38 1win n GLY 7 Ca -0.16 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 1win n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1win n GLN 8 N -0.46 2.56 -4.02 1.61 6.02 -1.26 -4.88 117.38 116.95 1win n GLN 8 Ca 0.00 -3.03 -0.23 0.00 -0.01 0.00 0.00 57.00 53.73 1win n GLN 8 Cb 0.00 -2.18 -0.17 0.00 1.02 0.00 0.00 30.24 28.91 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 -3.47 1.00 0.64 -1.09 6.06 -1.26 -5.05 118.95 115.79 1win s ARG 9 Ca 0.57 -0.10 -0.18 0.00 -2.50 0.00 0.00 55.73 53.52 1win s ARG 9 Cb 0.45 -1.11 -0.01 0.00 0.06 0.00 0.00 34.95 34.34 1win s ARG 9 CO -0.10 -0.19 1.25 -1.50 -2.50 0.00 0.00 175.30 172.26 1win s ILE 10 N 1.42 2.26 -0.04 4.11 2.07 -1.26 -5.03 121.20 124.72 1win s ILE 10 Ca -0.03 0.16 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1win s ILE 10 Cb -0.13 -3.01 0.01 0.00 0.13 0.00 0.00 42.46 39.45 1win s ILE 10 CO -0.03 -0.04 -0.10 -0.55 -1.91 0.00 0.00 174.94 172.30 1win s SER 11 N -1.55 1.46 -0.48 4.50 0.15 -1.26 -5.11 113.70 111.41 1win s SER 11 Ca 0.80 -0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.94 1win s SER 11 Cb -0.34 -0.51 0.03 0.00 -1.71 0.00 0.00 66.02 63.49 1win s SER 11 CO 0.38 0.06 1.05 -0.22 1.20 0.00 0.00 173.24 175.71 1win s LEU 12 N 0.38 3.79 0.01 3.45 2.96 -1.26 -4.98 118.68 123.02 1win s LEU 12 Ca -0.07 0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.85 1win s LEU 12 Cb -0.12 -3.38 0.09 0.00 0.50 0.00 0.00 46.19 43.28 1win s LEU 12 CO 0.02 -1.18 0.74 -0.70 -1.32 0.00 0.00 176.35 173.91 1win s GLU 13 N 4.19 1.01 -0.10 1.98 2.12 -1.26 -5.09 118.70 121.55 1win s GLU 13 Ca 0.43 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 1win s GLU 13 Cb -0.08 0.47 -0.02 0.00 0.26 0.00 0.00 34.13 34.75 1win s GLU 13 CO 0.29 -0.38 1.16 0.42 -0.54 0.00 0.00 175.26 176.21 1win s ILE 14 N -2.35 4.40 -0.15 -3.70 1.01 -1.26 -4.16 121.20 114.99 1win s ILE 14 Ca -0.03 1.70 -0.06 0.00 0.00 0.00 0.00 60.65 62.27 1win s ILE 14 Cb -0.01 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1win s ILE 14 CO -0.02 -0.04 0.05 -0.04 0.00 0.00 0.00 174.94 174.89 1win s MET 15 N 2.50 3.63 -0.55 2.79 -1.94 0.27 -4.97 119.30 121.04 1win s MET 15 Ca 0.53 -0.34 -0.21 0.00 -1.71 0.00 0.00 55.69 53.97 1win s MET 15 Cb -0.22 -3.09 0.06 0.00 2.01 0.00 0.00 34.83 33.60 1win s MET 15 CO 0.18 0.45 0.75 0.99 -0.01 0.00 0.00 175.02 177.39 1win s THR 16 N -0.15 4.69 -0.21 2.05 2.01 -1.26 -1.21 115.64 121.56 1win s THR 16 Ca 0.07 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1win s THR 16 Cb -0.12 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 1win s THR 16 CO 0.01 -1.00 0.03 -0.76 -0.69 0.00 0.00 174.62 172.22 1win s LEU 17 N 3.10 3.39 -0.59 4.42 1.02 -1.05 -5.00 118.68 123.98 1win s LEU 17 Ca 0.19 -0.16 -0.14 0.00 0.02 0.00 0.00 54.13 54.04 1win s LEU 17 Cb -0.18 -1.88 0.15 0.00 0.02 0.00 0.00 46.19 44.30 1win s LEU 17 CO 0.12 0.05 0.52 -1.10 0.02 0.00 0.00 176.35 175.96 1win s GLN 18 N 1.12 2.99 -1.05 1.70 1.11 -1.26 -2.71 119.66 121.57 1win s GLN 18 Ca 0.03 -1.92 -0.24 0.00 0.01 0.00 0.00 55.36 53.25 1win s GLN 18 Cb -0.14 -4.22 -0.07 0.00 -1.01 0.00 0.00 33.01 27.56 1win s GLN 18 CO 0.02 -1.29 1.94 -1.25 0.01 0.00 0.00 175.29 174.73 1win s PRO 19 N 1.18 2.52 -0.10 2.91 0.04 -1.24 -4.92 135.00 135.39 1win s PRO 19 Ca 0.07 -0.73 -0.05 0.00 0.04 0.00 0.00 61.00 60.33 1win s PRO 19 Cb -0.25 -5.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.10 1win s PRO 19 CO -0.01 -3.69 0.11 -0.98 0.04 0.00 0.00 177.00 172.48 1win s ARG 20 N 6.74 3.33 -0.18 4.56 1.70 -0.71 -4.20 118.95 130.19 1win s ARG 20 Ca 0.69 -0.21 -0.03 0.00 -0.47 0.00 0.00 55.73 55.71 1win s ARG 20 Cb -0.04 -3.09 0.06 0.00 -0.57 0.00 0.00 34.95 31.31 1win s ARG 20 CO 0.06 0.75 0.03 0.00 -1.08 0.00 0.00 175.30 175.06 1win s GLU 22 N 1.85 3.09 -0.86 0.00 2.56 -1.26 -2.83 118.70 121.25 1win s GLU 22 Ca -0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 54.97 54.36 1win s GLU 22 Cb -0.17 -2.85 -0.03 0.00 2.00 0.00 0.00 34.13 33.09 1win s GLU 22 CO -0.08 0.59 0.73 -0.25 -0.56 0.00 0.00 175.26 175.69 1win n ASP 23 N 0.44 -3.69 -3.90 -1.70 8.00 -1.26 -5.01 116.55 109.43 1win n ASP 23 Ca -0.08 -0.50 -0.30 0.00 0.71 0.00 0.00 54.79 54.62 1win n ASP 23 Cb 0.51 -4.06 -0.14 0.00 -0.02 0.00 0.00 41.12 37.42 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1win s VAL 24 N -3.28 2.22 0.02 2.53 -7.23 -1.24 -4.90 120.40 108.52 1win s VAL 24 Ca 0.17 -2.93 -0.36 0.00 -1.81 0.00 0.00 61.98 57.04 1win s VAL 24 Cb -0.02 -2.56 -0.15 0.00 0.56 0.00 0.00 36.38 34.20 1win s VAL 24 CO 0.56 -0.78 1.51 -0.62 -0.31 0.00 0.00 175.10 175.46 1win n GLU 25 N 3.45 1.46 -0.65 4.82 1.02 -1.26 -1.78 120.64 127.70 1win n GLU 25 Ca 0.05 0.53 -0.16 0.00 -0.02 0.00 0.00 57.16 57.56 1win n GLU 25 Cb 0.35 -2.22 0.13 0.00 -0.02 0.00 0.00 31.44 29.67 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 3.31 0.00 -0.18 2.62 -2.24 -1.18 -4.34 114.28 112.27 1win n THR 26 Ca 0.20 -0.31 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1win n THR 26 Cb 0.21 -1.23 0.05 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.31 0.35 -0.33 6.98 0.00 0.25 -0.68 119.26 123.53 1win h ALA 27 Ca -0.23 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1win h ALA 27 Cb 0.67 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1win h ALA 27 CO 0.15 -0.44 -0.38 1.05 0.00 0.00 0.00 179.25 179.62 1win h GLU 28 N -0.01 0.78 0.00 0.00 4.11 -1.83 -3.48 114.58 114.16 1win h GLU 28 Ca 0.27 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1win h GLU 28 Cb 0.42 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1win h GLU 28 CO -0.58 1.03 0.00 0.41 0.07 0.00 0.00 179.01 179.94 1win n GLY 29 N 0.05 0.79 2.66 1.06 0.00 -0.26 -5.12 105.19 104.38 1win n GLY 29 Ca -0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 1.08 -0.34 1.61 1.01 -1.26 -4.73 120.40 117.77 1win s VAL 30 Ca 0.00 -2.25 -0.33 0.00 0.00 0.00 0.00 61.98 59.39 1win s VAL 30 Cb 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 36.38 34.47 1win s VAL 30 CO 0.00 -0.89 1.12 0.00 0.00 0.00 0.00 175.10 175.33 1win n ALA 31 N 3.79 -1.05 -2.42 5.51 0.00 -1.26 -3.10 120.51 121.98 1win n ALA 31 Ca 0.08 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 1win n ALA 31 Cb 0.36 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 1win n ALA 31 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1win s LEU 32 N 2.04 2.39 -0.35 0.00 1.98 -0.74 -4.45 118.68 119.55 1win s LEU 32 Ca 0.74 -0.34 -0.12 0.00 -2.89 0.00 0.00 54.13 51.52 1win s LEU 32 Cb -1.06 -1.45 -0.00 0.00 0.66 0.00 0.00 46.19 44.34 1win s LEU 32 CO 0.58 0.33 0.23 -0.89 -1.89 0.00 0.00 176.35 174.70 1win s THR 33 N -0.64 5.07 -0.17 3.68 2.01 0.30 -3.68 115.64 122.21 1win s THR 33 Ca 0.10 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1win s THR 33 Cb -0.11 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1win s THR 33 CO -0.00 -0.07 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.04 1win s VAL 34 N 1.68 1.66 -0.02 3.82 1.01 -1.13 0.22 120.40 127.64 1win s VAL 34 Ca 0.05 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1win s VAL 34 Cb -0.18 -1.62 -0.11 0.00 0.00 0.00 0.00 36.38 34.47 1win s VAL 34 CO 0.09 0.35 0.80 0.74 0.00 0.00 0.00 175.10 177.08 1win h THR 35 N 6.19 0.04 -2.11 3.92 2.02 -1.03 -0.81 112.91 121.13 1win h THR 35 Ca -0.35 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1win h THR 35 Cb 1.12 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1win h THR 35 CO 0.52 0.01 -0.52 0.61 0.37 0.00 0.00 175.52 176.51 1win n GLY 36 N 0.06 -3.94 2.82 2.16 0.00 -1.26 -1.73 105.19 103.30 1win n GLY 36 Ca -0.08 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.73 -0.25 0.04 1.61 1.01 0.61 -3.67 120.40 117.01 1win s VAL 37 Ca 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 1win s VAL 37 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1win s VAL 37 CO 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 175.10 175.20 1win s ALA 38 N 2.29 0.39 -0.13 5.51 0.00 -1.10 -0.57 121.76 128.15 1win s ALA 38 Ca 0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1win s ALA 38 Cb -0.12 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1win s ALA 38 CO -0.06 -0.28 -0.01 -1.14 0.00 0.00 0.00 175.76 174.27 1win s GLN 39 N -2.98 3.39 0.05 0.00 2.00 -1.09 -2.55 119.66 118.49 1win s GLN 39 Ca -0.01 -0.45 0.03 0.00 -2.00 0.00 0.00 55.36 52.93 1win s GLN 39 Cb 0.01 -2.89 -0.03 0.00 0.80 0.00 0.00 33.01 30.91 1win s GLN 39 CO -0.06 0.45 -0.11 0.54 -0.50 0.00 0.00 175.29 175.61 1win s VAL 40 N -0.19 0.79 0.00 1.34 0.11 -0.35 -1.76 120.40 120.33 1win s VAL 40 Ca 0.05 -1.16 -0.06 0.00 -2.93 0.00 0.00 61.98 57.87 1win s VAL 40 Cb -0.13 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1win s VAL 40 CO 0.02 -0.30 0.12 -1.59 -3.33 0.00 0.00 175.10 170.02 1win s LYS 41 N -1.62 0.44 -0.00 1.54 -2.85 -1.19 0.96 119.74 117.03 1win s LYS 41 Ca -0.06 -0.37 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 1win s LYS 41 Cb -0.10 0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 35.80 1win s LYS 41 CO 0.01 -0.10 1.40 0.42 0.10 0.00 0.00 175.35 177.18 1win s ILE 42 N -1.27 3.72 1.02 3.79 -1.09 -1.26 -3.31 121.20 122.80 1win s ILE 42 Ca -0.14 1.10 -0.15 0.00 -2.23 0.00 0.00 60.65 59.24 1win s ILE 42 Cb -0.07 -3.71 0.15 0.00 -1.58 0.00 0.00 42.46 37.25 1win s ILE 42 CO 0.01 -0.00 0.20 0.23 -1.23 0.00 0.00 174.94 174.15 1win n MET 43 N 5.38 -2.08 -3.62 2.79 2.81 -1.18 -4.89 117.12 116.33 1win n MET 43 Ca 0.13 -0.61 -0.20 0.00 -1.81 0.00 0.00 57.70 55.21 1win n MET 43 Cb 0.44 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 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 3.55 -0.30 2.03 2.01 -1.26 -5.09 115.64 114.49 1win s THR 44 Ca 0.39 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1win s THR 44 Cb -0.06 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.25 1win s THR 44 CO 0.39 -0.13 0.06 -1.83 -0.69 0.00 0.00 174.62 172.42 1win s GLU 45 N -4.09 2.92 -0.26 4.92 -1.05 -1.26 -4.95 118.70 114.93 1win s GLU 45 Ca 0.44 -0.96 -0.07 0.00 -0.15 0.00 0.00 54.97 54.24 1win s GLU 45 Cb -0.07 -3.31 -0.16 0.00 -0.44 0.00 0.00 34.13 30.15 1win s GLU 45 CO 0.29 -0.49 -0.23 1.63 0.95 0.00 0.00 175.26 177.41 1win n LYS 46 N 4.81 0.63 0.00 -4.83 4.76 -1.26 -4.97 118.16 117.30 1win n LYS 46 Ca -0.14 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1win n LYS 46 Cb 0.47 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1win n LYS 46 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1win n GLU 47 N -3.76 0.00 -3.87 1.97 1.02 -1.26 -5.06 120.64 109.67 1win n GLU 47 Ca -0.48 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.36 1win n GLU 47 Cb 0.93 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 32.20 1win n GLU 47 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1win s LEU 48 N -3.96 2.31 -0.72 -4.62 1.98 -1.26 -5.01 118.68 107.41 1win s LEU 48 Ca 0.00 -1.19 -0.02 0.00 -2.89 0.00 0.00 54.13 50.03 1win s LEU 48 Cb 0.00 -1.03 0.33 0.00 0.66 0.00 0.00 46.19 46.15 1win s LEU 48 CO 0.00 -0.28 2.14 -0.11 -1.89 0.00 0.00 176.35 176.21 1win n LEU 49 N 4.76 7.38 -0.37 -0.68 -0.00 -1.26 -4.52 117.00 122.30 1win n LEU 49 Ca -0.10 -4.50 0.11 0.00 -0.00 0.00 0.00 56.01 51.53 1win n LEU 49 Cb 0.44 -1.07 0.47 0.00 -0.00 0.00 0.00 43.42 43.26 1win n LEU 49 CO 0.16 1.65 0.82 0.00 -0.00 0.00 0.00 177.39 180.03 1win n ALA 50 N -0.39 2.56 0.04 1.96 0.00 -1.26 -2.72 120.51 120.70 1win n ALA 50 Ca 0.54 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 1win n ALA 50 Cb 0.41 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 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 1.55 1.05 0.00 0.00 3.04 -1.87 -3.31 116.25 116.71 1win h VAL 51 Ca 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 66.70 62.96 1win h VAL 51 Cb 0.34 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1win h VAL 51 CO 0.00 0.79 -0.84 0.00 -1.01 0.00 0.00 177.57 176.50 1win n ALA 52 N -2.69 3.89 -0.00 3.17 0.00 -1.20 -4.23 120.51 119.45 1win n ALA 52 Ca -0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 53.44 52.82 1win n ALA 52 Cb 1.04 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.14 0.00 0.00 0.00 5.08 -1.83 1.41 114.58 119.10 1win h GLU 54 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1win h GLU 54 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1win h GLU 54 CO 0.00 0.00 -0.41 0.37 -1.00 0.00 0.00 179.01 177.97 1win h GLN 55 N 0.00 0.00 0.00 2.33 5.75 -1.74 -3.39 115.11 118.06 1win h GLN 55 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1win h GLN 55 Cb 0.63 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1win h GLN 55 CO -0.00 0.41 -0.36 1.19 -2.65 0.00 0.00 178.83 177.43 1win n PHE 56 N -3.36 0.00 -0.99 3.99 3.72 0.11 -4.99 117.46 115.94 1win n PHE 56 Ca 0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.07 1win n PHE 56 Cb 0.61 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.95 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 -3.70 -1.04 0.00 4.37 4.77 0.44 -1.65 117.00 120.19 1win n LEU 57 Ca -0.05 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1win n LEU 57 Cb 0.19 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1win n LEU 57 CO 0.07 -2.24 0.00 0.61 -1.33 0.00 0.00 177.39 174.50 1win n GLY 58 N 1.45 3.32 2.17 -0.72 0.00 -1.26 -4.81 105.19 105.35 1win n GLY 58 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1win n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1win n LYS 59 N -1.45 1.05 -2.56 1.61 5.02 -0.66 -5.15 118.16 116.04 1win n LYS 59 Ca 0.00 -1.99 -0.24 0.00 -2.02 0.00 0.00 58.31 54.07 1win n LYS 59 Cb 0.00 0.25 0.10 0.00 -0.02 0.00 0.00 35.03 35.36 1win n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1win s ASN 60 N -2.82 4.45 0.23 4.39 0.01 -1.26 -5.01 114.94 114.93 1win s ASN 60 Ca 0.16 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 1win s ASN 60 Cb -0.01 -0.19 0.23 0.00 0.41 0.00 0.00 41.25 41.68 1win s ASN 60 CO 0.10 -1.78 1.57 -0.37 -1.51 0.00 0.00 177.10 175.11 1win h VAL 61 N -0.48 1.33 -0.98 1.60 -1.51 -1.97 -3.10 116.25 111.13 1win h VAL 61 Ca -0.38 -1.75 0.14 0.00 -1.23 0.00 0.00 66.70 63.48 1win h VAL 61 Cb 1.27 1.77 -0.09 0.00 -2.13 0.00 0.00 31.29 32.11 1win h VAL 61 CO 0.43 0.53 0.60 1.56 -1.23 0.00 0.00 177.57 179.46 1win h GLN 62 N 0.33 0.88 0.62 5.19 4.20 -2.01 -2.61 115.11 121.72 1win h GLN 62 Ca 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1win h GLN 62 Cb 1.01 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1win h GLN 62 CO 0.09 0.58 -0.45 0.22 -0.67 0.00 0.00 178.83 178.60 1win h ASP 63 N 0.90 -1.18 -0.80 1.46 3.58 -1.94 -2.34 116.42 116.10 1win h ASP 63 Ca 0.51 0.08 0.07 0.00 0.42 0.00 0.00 57.03 58.11 1win h ASP 63 Cb 0.59 0.36 -0.10 0.00 1.72 0.00 0.00 39.33 41.90 1win h ASP 63 CO -0.30 -0.66 -0.47 -0.38 -2.88 0.00 0.00 179.24 174.55 1win n ILE 64 N -5.24 -0.54 -0.29 2.25 -0.00 -1.00 0.26 119.36 114.80 1win n ILE 64 Ca -0.12 2.23 0.11 0.00 -0.00 0.00 0.00 62.75 64.97 1win n ILE 64 Cb 0.44 -2.79 0.26 0.00 -0.00 0.00 0.00 39.64 37.55 1win n ILE 64 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1win h LYS 65 N 0.00 0.24 0.72 0.38 6.56 -1.47 -1.30 116.57 121.70 1win h LYS 65 Ca 0.13 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.67 1win h LYS 65 Cb 0.33 -0.05 0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1win h LYS 65 CO -0.75 0.16 -0.35 -0.91 -2.06 0.00 0.00 179.45 175.54 1win h ASN 66 N 0.24 -0.82 -0.96 0.86 2.35 0.38 0.72 115.58 118.35 1win h ASN 66 Ca 0.51 0.03 0.19 0.00 -0.55 0.00 0.00 56.30 56.48 1win h ASN 66 Cb 0.99 0.21 -0.18 0.00 0.05 0.00 0.00 38.32 39.39 1win h ASN 66 CO -0.61 -0.52 -0.25 0.58 -1.65 0.00 0.00 177.43 174.98 1win h VAL 67 N -1.10 0.04 0.50 2.81 2.07 0.00 0.18 116.25 120.75 1win h VAL 67 Ca -0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1win h VAL 67 Cb 0.75 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1win h VAL 67 CO 0.16 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 178.09 1win h VAL 68 N -0.00 0.37 -1.21 2.57 2.07 -1.23 -3.01 116.25 115.81 1win h VAL 68 Ca 0.45 -0.41 0.35 0.00 0.82 0.00 0.00 66.70 67.91 1win h VAL 68 Cb 0.69 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 1win h VAL 68 CO -0.99 0.05 0.80 0.25 0.02 0.00 0.00 177.57 177.71 1win h LEU 69 N -0.97 0.27 0.47 2.57 5.85 0.59 -1.44 115.31 122.66 1win h LEU 69 Ca -0.07 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1win h LEU 69 Cb 0.61 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1win h LEU 69 CO 0.11 -0.03 -0.28 1.56 -0.34 0.00 0.00 178.44 179.47 1win h GLN 70 N 0.19 -0.68 -0.75 1.25 4.20 -0.57 0.24 115.11 119.00 1win h GLN 70 Ca 0.69 0.05 0.07 0.00 0.06 0.00 0.00 58.65 59.51 1win h GLN 70 Cb 2.13 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 29.98 1win h GLN 70 CO -0.27 -0.45 -0.44 2.41 -0.67 0.00 0.00 178.83 179.40 1win n THR 71 N -4.09 -0.51 -0.18 -0.54 -1.04 -0.55 0.70 114.28 108.07 1win n THR 71 Ca -0.09 2.00 -0.06 0.00 -2.04 0.00 0.00 64.05 63.86 1win n THR 71 Cb 0.29 -2.49 0.03 0.00 -1.82 0.00 0.00 70.33 66.34 1win n THR 71 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1win h LEU 72 N 0.00 0.59 0.01 -4.42 3.38 -1.53 -2.65 115.31 110.69 1win h LEU 72 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1win h LEU 72 Cb 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1win h LEU 72 CO -0.71 0.42 -0.01 -0.33 0.09 0.00 0.00 178.44 177.91 1win h GLU 73 N 0.70 -0.02 -0.85 1.13 5.08 0.33 -1.24 114.58 119.71 1win h GLU 73 Ca 0.20 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.73 1win h GLU 73 Cb -0.06 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.04 1win h GLU 73 CO -0.06 -0.01 -0.23 0.41 -1.00 0.00 0.00 179.01 178.12 1win n GLY 74 N -1.01 -1.47 0.35 -3.84 0.00 0.22 0.20 105.19 99.64 1win n GLY 74 Ca -0.00 0.92 -0.00 0.00 0.00 0.00 0.00 46.02 46.93 1win n GLY 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1win h HIS 75 N 0.00 0.99 -0.08 1.61 3.86 -1.39 -2.43 115.15 117.70 1win h HIS 75 Ca 0.40 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.64 1win h HIS 75 Cb 0.61 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1win h HIS 75 CO -0.67 0.64 -0.06 1.25 0.86 0.00 0.00 177.93 179.95 1win h LEU 76 N 1.05 -0.19 -0.63 2.43 5.85 0.35 0.34 115.31 124.51 1win h LEU 76 Ca 0.28 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1win h LEU 76 Cb -0.08 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1win h LEU 76 CO -0.06 -0.09 0.40 -0.09 -0.34 0.00 0.00 178.44 178.27 1win h ARG 77 N -0.07 0.77 -0.54 1.25 2.43 -1.08 0.38 114.38 117.52 1win h ARG 77 Ca 0.05 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1win h ARG 77 Cb 0.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1win h ARG 77 CO -0.13 0.51 -0.06 1.03 -1.51 0.00 0.00 179.97 179.82 1win h SER 78 N 0.80 0.96 0.73 -3.80 0.87 -1.02 -0.07 113.55 112.02 1win h SER 78 Ca 0.25 -0.29 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 1win h SER 78 Cb -0.02 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1win h SER 78 CO -0.09 1.05 -0.63 0.40 -0.53 0.00 0.00 176.83 177.03 1win h ILE 79 N 0.88 1.38 0.16 2.23 1.08 0.19 -3.11 117.51 120.32 1win h ILE 79 Ca 0.15 -2.20 -0.01 0.00 -0.39 0.00 0.00 64.86 62.41 1win h ILE 79 Cb 0.59 2.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1win h ILE 79 CO 0.04 0.61 -0.08 0.25 -0.69 0.00 0.00 178.15 178.29 1win h LEU 80 N 0.00 -0.18 -0.75 1.44 6.46 0.01 -3.01 115.31 119.28 1win h LEU 80 Ca -0.01 -0.08 0.13 0.00 -0.12 0.00 0.00 57.88 57.81 1win h LEU 80 Cb 1.16 0.05 -0.14 0.00 -0.73 0.00 0.00 40.66 41.00 1win h LEU 80 CO 0.08 0.33 -0.30 1.23 -0.62 0.00 0.00 178.44 179.16 1win h GLY 81 N -1.04 0.17 1.83 3.75 0.00 -1.12 0.56 103.07 107.21 1win h GLY 81 Ca -0.02 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 1win h GLY 81 CO 0.04 -0.24 0.09 0.00 0.00 0.00 0.00 176.54 176.42 1win h THR 82 N -0.07 1.06 -4.18 4.70 1.03 -1.68 1.00 112.91 114.77 1win h THR 82 Ca 0.31 -0.17 -0.50 0.00 -0.01 0.00 0.00 66.41 66.04 1win h THR 82 Cb 0.57 0.84 0.05 0.00 -1.07 0.00 0.00 68.15 68.54 1win h THR 82 CO -0.80 0.07 0.35 -0.76 -0.01 0.00 0.00 175.52 174.37 1win s LEU 83 N -9.19 3.35 -0.14 0.00 1.43 0.20 -4.61 118.68 109.72 1win s LEU 83 Ca -0.06 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 1win s LEU 83 Cb 0.17 -4.35 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 1win s LEU 83 CO 0.70 -0.78 0.25 0.42 0.23 0.00 0.00 176.35 177.17 1win s THR 84 N -3.03 5.32 0.28 5.49 -4.23 -1.26 -1.22 115.64 116.99 1win s THR 84 Ca 0.54 0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 61.45 1win s THR 84 Cb -0.11 -3.57 0.44 0.00 1.34 0.00 0.00 72.50 70.59 1win s THR 84 CO 0.50 0.46 1.57 1.62 -0.54 0.00 0.00 174.62 178.23 1win h VAL 85 N 4.43 0.03 0.17 2.29 3.04 -1.93 0.44 116.25 124.72 1win h VAL 85 Ca -0.45 -0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1win h VAL 85 Cb 1.18 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.44 1win h VAL 85 CO 0.71 0.00 -0.50 -0.33 -1.01 0.00 0.00 177.57 176.44 1win h GLU 86 N 0.00 -0.74 -0.70 4.17 5.08 -2.01 -2.56 114.58 117.83 1win h GLU 86 Ca 0.49 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.01 1win h GLU 86 Cb 0.81 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.10 1win h GLU 86 CO -0.99 -0.49 -0.38 1.96 -1.00 0.00 0.00 179.01 178.11 1win h GLN 87 N -0.77 -0.13 -0.61 2.33 1.08 -1.33 -1.39 115.11 114.29 1win h GLN 87 Ca -0.01 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1win h GLN 87 Cb 0.76 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.14 1win h GLN 87 CO -0.25 -0.09 -0.40 0.82 -0.95 0.00 0.00 178.83 177.96 1win h ILE 88 N -0.14 0.00 -0.74 2.54 2.04 -1.02 0.25 117.51 120.45 1win h ILE 88 Ca 0.24 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.24 1win h ILE 88 Cb 0.56 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 1win h ILE 88 CO -0.76 0.00 0.30 1.88 0.00 0.00 0.00 178.15 179.56 1win h TYR 89 N -0.05 0.51 0.11 1.37 0.05 -1.13 -2.91 116.97 114.92 1win h TYR 89 Ca 0.10 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1win h TYR 89 Cb 0.30 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 1win h TYR 89 CO -0.95 0.08 -0.09 1.96 -1.05 0.00 0.00 178.16 178.12 1win h GLN 90 N 0.45 -0.19 -4.86 4.88 1.08 0.38 -3.40 115.11 113.46 1win h GLN 90 Ca 0.40 0.01 -0.67 0.00 -1.45 0.00 0.00 58.65 56.94 1win h GLN 90 Cb 0.58 0.04 -0.35 0.00 -0.05 0.00 0.00 27.48 27.70 1win h GLN 90 CO -0.38 -0.12 -0.77 -0.51 -0.95 0.00 0.00 178.83 176.09 1win s ASP 91 N -2.55 4.49 -0.13 1.46 1.01 0.29 -5.00 116.67 116.24 1win s ASP 91 Ca -0.03 -1.29 -0.10 0.00 0.71 0.00 0.00 52.55 51.84 1win s ASP 91 Cb 0.01 -1.60 -0.08 0.00 1.01 0.00 0.00 42.92 42.26 1win s ASP 91 CO 0.11 -0.19 0.14 0.03 0.21 0.00 0.00 175.17 175.46 1win h ARG 92 N 7.86 0.00 -0.85 8.23 3.08 -1.77 -3.32 114.38 127.59 1win h ARG 92 Ca -0.22 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.98 1win h ARG 92 Cb 1.06 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.96 1win h ARG 92 CO 0.50 0.30 -0.29 -0.25 -1.07 0.00 0.00 179.97 179.15 1win n ASP 93 N -4.68 -0.47 0.02 7.04 9.92 -1.26 0.09 116.55 127.21 1win n ASP 93 Ca -0.07 1.48 -0.12 0.00 -0.53 0.00 0.00 54.79 55.56 1win n ASP 93 Cb 0.22 -0.38 -0.05 0.00 -0.64 0.00 0.00 41.12 40.28 1win n ASP 93 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1win h GLN 94 N 0.00 -0.45 -0.73 -1.24 5.75 -1.98 0.21 115.11 116.68 1win h GLN 94 Ca 0.33 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.96 1win h GLN 94 Cb 0.55 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.13 1win h GLN 94 CO -0.86 -0.30 0.38 0.35 -2.65 0.00 0.00 178.83 175.75 1win h PHE 95 N -0.47 0.68 0.00 3.99 3.57 -0.45 0.20 116.94 124.47 1win h PHE 95 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1win h PHE 95 Cb 0.59 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1win h PHE 95 CO -0.43 0.26 0.00 0.00 -2.23 0.00 0.00 178.31 175.91 1win h ALA 96 N 1.43 1.00 0.00 2.41 0.00 0.01 -3.12 119.26 120.99 1win h ALA 96 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1win h ALA 96 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1win h ALA 96 CO -0.26 0.00 -0.52 -0.22 0.00 0.00 0.00 179.25 178.25 1win h LYS 97 N 0.00 0.00 0.00 0.00 3.64 0.23 -2.89 116.57 117.55 1win h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1win h LYS 97 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1win h LYS 97 CO 0.00 0.98 0.37 -0.07 -2.27 0.00 0.00 179.45 178.46 1win h LEU 98 N -1.00 0.00 0.00 5.20 4.07 -0.93 0.37 115.31 123.02 1win h LEU 98 Ca -0.14 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.52 1win h LEU 98 Cb 1.11 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.81 1win h LEU 98 CO -0.09 0.00 -1.63 0.52 -1.08 0.00 0.00 178.44 176.16 1win n VAL 99 N -2.66 1.54 0.30 1.22 0.31 -1.20 -3.31 118.33 114.52 1win n VAL 99 Ca -0.02 -0.14 0.19 0.00 -0.01 0.00 0.00 64.34 64.36 1win n VAL 99 Cb 0.41 -1.99 0.83 0.00 -0.91 0.00 0.00 33.84 32.18 1win n VAL 99 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1win h ARG 100 N -0.97 0.00 0.18 5.55 0.11 -0.99 0.10 114.38 118.37 1win h ARG 100 Ca -0.45 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.29 1win h ARG 100 Cb 1.41 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.50 1win h ARG 100 CO -0.26 0.00 -1.68 1.05 0.10 0.00 0.00 179.97 179.17 1win h GLU 101 N 0.00 0.39 0.04 0.08 4.11 -0.49 -2.52 114.58 116.19 1win h GLU 101 Ca 0.00 -0.67 -0.27 0.00 0.07 0.00 0.00 59.36 58.49 1win h GLU 101 Cb 0.35 0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.87 1win h GLU 101 CO 0.00 1.30 -1.10 -0.24 0.07 0.00 0.00 179.01 179.04 1win h VAL 102 N 0.11 1.29 -0.05 -1.06 3.04 -1.48 -3.28 116.25 114.81 1win h VAL 102 Ca -0.32 -2.33 -0.18 0.00 -1.01 0.00 0.00 66.70 62.87 1win h VAL 102 Cb 2.10 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 33.85 1win h VAL 102 CO 0.19 0.72 -0.74 0.00 -1.01 0.00 0.00 177.57 176.73 1win h ALA 103 N 0.39 0.65 -0.45 3.17 0.00 -1.14 -3.28 119.26 118.60 1win h ALA 103 Ca -0.14 -0.62 0.05 0.00 0.00 0.00 0.00 54.91 54.19 1win h ALA 103 Cb 1.76 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1win h ALA 103 CO 0.21 0.80 -0.52 0.00 0.00 0.00 0.00 179.25 179.75 1win h ALA 104 N 1.03 -0.71 0.00 0.00 0.00 -1.51 0.64 119.26 118.71 1win h ALA 104 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1win h ALA 104 Cb 1.31 1.13 0.00 0.00 0.00 0.00 0.00 17.79 20.23 1win h ALA 104 CO 0.12 -0.98 0.00 -0.35 0.00 0.00 0.00 179.25 178.04 1win n PRO 105 N -5.13 0.40 -0.09 0.00 -0.04 -1.25 -3.21 135.00 125.68 1win n PRO 105 Ca -0.02 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1win n PRO 105 Cb 0.30 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 1win n PRO 105 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1win n ASP 106 N -1.09 1.89 0.11 3.54 -0.08 0.19 -4.34 116.55 116.77 1win n ASP 106 Ca 0.10 0.45 0.20 0.00 -1.51 0.00 0.00 54.79 54.03 1win n ASP 106 Cb 0.07 -0.82 0.75 0.00 2.34 0.00 0.00 41.12 43.46 1win n ASP 106 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1win h VAL 107 N -1.00 0.35 0.00 5.18 -1.51 -0.64 0.14 116.25 118.77 1win h VAL 107 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1win h VAL 107 Cb 0.92 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1win h VAL 107 CO -0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.88 1win n GLY 108 N -1.47 -0.44 0.13 5.19 0.00 -1.20 -1.91 105.19 105.50 1win n GLY 108 Ca 0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 0.34 0.07 1.61 3.08 -0.96 -3.36 114.38 115.15 1win h ARG 109 Ca 0.00 -0.58 -0.25 0.00 0.07 0.00 0.00 59.98 59.23 1win h ARG 109 Cb 0.04 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1win h ARG 109 CO 0.00 1.28 -1.16 0.00 -1.07 0.00 0.00 179.97 179.02 1win h MET 110 N -0.11 0.14 0.00 0.04 -0.00 -1.56 -3.48 114.93 109.96 1win h MET 110 Ca -0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 59.70 59.16 1win h MET 110 Cb 1.92 0.09 0.00 0.00 -0.00 0.00 0.00 31.60 33.61 1win h MET 110 CO 0.13 1.10 0.00 0.41 -0.00 0.00 0.00 176.91 178.56 1win n GLY 111 N 1.46 1.16 3.82 -3.00 0.00 -0.80 -3.23 105.19 104.59 1win n GLY 111 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.63 4.83 0.01 -0.61 -1.09 -0.86 -3.09 121.20 118.76 1win s ILE 112 Ca 0.00 -0.53 0.06 0.00 -2.23 0.00 0.00 60.65 57.94 1win s ILE 112 Cb 0.00 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 1win s ILE 112 CO 0.00 0.22 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.05 1win s GLU 113 N -2.17 1.36 0.05 2.79 -6.30 -1.21 -3.25 118.70 109.97 1win s GLU 113 Ca 0.28 -0.72 -0.13 0.00 -2.50 0.00 0.00 54.97 51.90 1win s GLU 113 Cb -0.12 -1.36 -0.06 0.00 0.00 0.00 0.00 34.13 32.59 1win s GLU 113 CO 0.20 0.36 0.43 0.96 0.02 0.00 0.00 175.26 177.23 1win s ILE 114 N -0.56 5.02 -0.25 -3.70 -5.25 -1.26 -3.14 121.20 112.06 1win s ILE 114 Ca 0.06 0.71 -0.16 0.00 -0.99 0.00 0.00 60.65 60.27 1win s ILE 114 Cb -0.07 -3.70 -0.13 0.00 2.95 0.00 0.00 42.46 41.51 1win s ILE 114 CO 0.00 0.43 -0.22 0.18 -1.79 0.00 0.00 174.94 173.55 1win n LEU 115 N 1.37 1.93 -3.64 0.37 4.77 -0.72 -5.01 117.00 116.06 1win n LEU 115 Ca -0.11 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 1win n LEU 115 Cb 0.52 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1win n LEU 115 CO 0.40 0.39 0.41 -0.55 -1.33 0.00 0.00 177.39 176.70 1win s SER 116 N -7.13 -0.41 -0.03 -1.43 0.15 -1.24 -5.01 113.70 98.60 1win s SER 116 Ca -0.35 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 1win s SER 116 Cb 0.11 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 65.10 1win s SER 116 CO 0.50 -1.13 0.04 0.12 1.20 0.00 0.00 173.24 173.96 1win s PHE 117 N -3.83 0.11 0.12 3.44 2.19 -1.26 -2.66 117.98 116.08 1win s PHE 117 Ca 0.06 0.15 0.03 0.00 0.33 0.00 0.00 56.93 57.49 1win s PHE 117 Cb -0.03 -0.38 -0.04 0.00 -1.31 0.00 0.00 43.02 41.26 1win s PHE 117 CO -0.04 -0.14 -0.08 0.99 1.83 0.00 0.00 175.22 177.78 1win s THR 118 N 1.52 0.85 -0.44 0.12 2.01 0.27 -4.80 115.64 115.16 1win s THR 118 Ca -0.03 -1.98 -0.12 0.00 0.31 0.00 0.00 61.69 59.87 1win s THR 118 Cb -0.13 -1.75 0.07 0.00 0.01 0.00 0.00 72.50 70.70 1win s THR 118 CO -0.03 -0.82 0.32 -0.63 -0.69 0.00 0.00 174.62 172.77 1win s ILE 119 N -3.53 4.74 0.00 1.82 -1.09 -1.26 -0.29 121.20 121.59 1win s ILE 119 Ca 0.14 -1.18 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1win s ILE 119 Cb 0.04 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1win s ILE 119 CO -0.03 -0.51 0.57 1.17 -1.23 0.00 0.00 174.94 174.91 1win n LYS 120 N 5.06 0.00 -4.04 2.79 3.00 -1.26 -4.89 118.16 118.81 1win n LYS 120 Ca -0.11 0.26 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 1win n LYS 120 Cb 0.44 -1.13 -0.11 0.00 0.00 0.00 0.00 35.03 34.22 1win n LYS 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1win s ASP 121 N -2.01 0.67 -0.24 3.14 1.01 -1.26 -4.94 116.67 113.04 1win s ASP 121 Ca 0.00 -0.57 -0.03 0.00 0.71 0.00 0.00 52.55 52.66 1win s ASP 121 Cb 0.00 0.06 0.11 0.00 1.01 0.00 0.00 42.92 44.10 1win s ASP 121 CO 0.00 -0.26 0.23 -0.69 0.21 0.00 0.00 175.17 174.66 1win s VAL 122 N -1.58 -0.30 0.22 -1.27 1.01 -1.26 -0.41 120.40 116.80 1win s VAL 122 Ca -0.10 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1win s VAL 122 Cb -0.09 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1win s VAL 122 CO -0.01 -0.38 -0.05 -0.72 0.00 0.00 0.00 175.10 173.94 1win s TYR 123 N 2.29 1.58 -0.27 5.22 1.13 0.13 -4.95 117.35 122.49 1win s TYR 123 Ca 0.08 -0.80 -0.02 0.00 -1.41 0.00 0.00 57.07 54.92 1win s TYR 123 Cb -0.15 -0.87 0.03 0.00 -1.10 0.00 0.00 41.96 39.87 1win s TYR 123 CO -0.23 0.10 -0.03 0.16 -2.51 0.00 0.00 175.55 173.04 1win s ASP 124 N -3.30 4.57 0.58 -0.18 -4.77 -1.26 0.11 116.67 112.42 1win s ASP 124 Ca 0.25 -1.01 0.28 0.00 -3.30 0.00 0.00 52.55 48.77 1win s ASP 124 Cb 0.04 -1.69 1.58 0.00 -1.09 0.00 0.00 42.92 41.76 1win s ASP 124 CO 0.07 -0.18 2.04 0.50 0.70 0.00 0.00 175.17 178.30 1win h LYS 125 N 8.02 0.00 0.00 2.11 3.11 -1.95 0.48 116.57 128.34 1win h LYS 125 Ca -0.28 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1win h LYS 125 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1win h LYS 125 CO 0.56 0.00 -0.27 1.33 -2.81 0.00 0.00 179.45 178.26 1win n VAL 126 N -3.85 0.45 -3.97 2.00 0.24 -1.26 -4.95 118.33 106.99 1win n VAL 126 Ca 0.04 -0.26 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 1win n VAL 126 Cb 0.43 -0.37 -0.02 0.00 -1.47 0.00 0.00 33.84 32.41 1win n VAL 126 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1win n ASP 127 N -2.14 -0.85 -0.17 -1.34 5.75 0.17 -4.81 116.55 113.15 1win n ASP 127 Ca 0.05 -1.06 0.16 0.00 -0.01 0.00 0.00 54.79 53.93 1win n ASP 127 Cb 0.43 -2.85 0.52 0.00 -1.03 0.00 0.00 41.12 38.19 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1win h TYR 128 N -1.87 0.47 0.00 2.11 5.03 -1.93 0.24 116.97 121.01 1win h TYR 128 Ca -0.64 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 60.56 1win h TYR 128 Cb 1.38 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.49 1win h TYR 128 CO 0.47 0.17 -0.56 -0.07 -1.32 0.00 0.00 178.16 176.85 1win h LEU 129 N 0.39 0.00 -1.58 2.82 4.07 -1.95 -2.94 115.31 116.12 1win h LEU 129 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1win h LEU 129 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1win h LEU 129 CO -0.12 0.56 0.00 -0.24 -1.08 0.00 0.00 178.44 177.56 1win n SER 130 N -3.52 2.25 -0.08 -0.43 2.88 0.81 -3.37 113.62 112.16 1win n SER 130 Ca -0.00 -2.21 0.01 0.00 -1.33 0.00 0.00 58.87 55.34 1win n SER 130 Cb 0.64 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.70 1win n SER 130 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1win n SER 131 N 0.25 1.07 0.07 -3.46 2.88 -1.07 -4.75 113.62 108.62 1win n SER 131 Ca 0.10 -1.80 -0.09 0.00 -1.33 0.00 0.00 58.87 55.75 1win n SER 131 Cb 0.46 -0.09 -0.11 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.00 0.10 0.00 2.46 3.38 -1.64 -3.48 115.31 116.13 1win h LEU 132 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1win h LEU 132 Cb 0.87 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1win h LEU 132 CO 0.00 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.21 1win n GLY 133 N 1.35 2.83 3.81 0.83 0.00 -1.26 -5.14 105.19 107.61 1win n GLY 133 Ca -0.02 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.74 4.33 -0.24 1.61 1.02 -1.26 -5.06 119.74 119.39 1win s LYS 134 Ca 0.00 1.00 -0.03 0.00 0.02 0.00 0.00 55.97 56.96 1win s LYS 134 Cb 0.00 -2.78 0.11 0.00 -0.52 0.00 0.00 37.83 34.65 1win s LYS 134 CO 0.00 0.31 0.25 0.95 -0.92 0.00 0.00 175.35 175.94 1win s THR 135 N -1.63 -0.35 -0.20 2.17 -4.23 -1.26 -5.13 115.64 105.01 1win s THR 135 Ca 0.47 -0.31 -0.28 0.00 -1.18 0.00 0.00 61.69 60.39 1win s THR 135 Cb -0.16 -0.83 0.12 0.00 1.34 0.00 0.00 72.50 72.98 1win s THR 135 CO 0.21 -0.34 1.01 0.00 -0.54 0.00 0.00 174.62 174.95 1win s GLN 136 N 2.33 0.57 0.06 3.99 -2.07 -1.26 -5.18 119.66 118.10 1win s GLN 136 Ca 0.08 0.30 0.05 0.00 -1.82 0.00 0.00 55.36 53.97 1win s GLN 136 Cb -0.15 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 1win s GLN 136 CO -0.22 -0.14 -0.14 0.95 -1.32 0.00 0.00 175.29 174.42 1win s THR 137 N -0.65 1.06 -0.13 3.63 -4.23 -1.26 -5.07 115.64 108.99 1win s THR 137 Ca -0.00 -1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 59.02 1win s THR 137 Cb -0.02 -1.02 -0.22 0.00 1.34 0.00 0.00 72.50 72.58 1win s THR 137 CO -0.01 -0.21 0.66 0.28 -0.54 0.00 0.00 174.62 174.80 1win h SER 138 N 4.39 -0.00 0.00 3.99 0.02 -2.07 -3.50 113.55 116.38 1win h SER 138 Ca -0.40 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.73 1win h SER 138 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1win h SER 138 CO 0.41 0.90 0.00 0.61 -1.14 0.00 0.00 176.83 177.61 1win n GLY 139 N 1.59 1.47 3.63 -3.77 0.00 -1.26 -5.02 105.19 101.83 1win n GLY 139 Ca -0.08 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 3.80 -0.16 1.61 0.04 -1.26 -4.98 135.00 134.04 1win s PRO 140 Ca 0.00 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 1win s PRO 140 Cb 0.00 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.56 1win s PRO 140 CO 0.00 -1.29 0.04 -1.54 0.04 0.00 0.00 177.00 174.25 1win s SER 141 N 4.22 2.46 0.22 6.66 1.04 -1.26 -5.14 113.70 121.91 1win s SER 141 Ca 0.71 -0.60 0.11 0.00 0.48 0.00 0.00 55.95 56.65 1win s SER 141 Cb -0.25 -0.46 -0.05 0.00 0.10 0.00 0.00 66.02 65.36 1win s SER 141 CO 0.29 -0.30 -0.21 -0.94 0.98 0.00 0.00 173.24 173.06 1win s SER 142 N 1.96 3.33 0.00 7.02 1.04 -1.26 -5.27 113.70 120.52 1win s SER 142 Ca 0.01 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1win s SER 142 Cb -0.16 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1win s SER 142 CO -0.08 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.81