#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5q n SER 2 N 0.00 -2.63 -3.52 1.61 7.64 -1.26 -5.04 113.62 110.42 1x5q n SER 2 Ca 0.00 1.24 -0.10 0.00 1.01 0.00 0.00 58.87 61.01 1x5q n SER 2 Cb 0.00 -4.19 -0.10 0.00 -1.01 0.00 0.00 64.21 58.91 1x5q n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5q s SER 3 N -0.51 0.19 0.00 6.43 0.01 -1.26 -5.07 113.70 113.49 1x5q s SER 3 Ca -0.20 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1x5q s SER 3 Cb 0.01 1.06 0.00 0.00 0.21 0.00 0.00 66.02 67.30 1x5q s SER 3 CO 0.57 -0.27 1.00 0.61 0.41 0.00 0.00 173.24 175.55 1x5q n GLY 4 N 5.37 -2.69 1.11 3.44 0.00 -1.26 -4.99 105.19 106.16 1x5q n GLY 4 Ca -0.06 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1x5q n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5q n SER 5 N -2.34 -6.02 -3.58 1.61 2.88 -1.26 -5.05 113.62 99.86 1x5q n SER 5 Ca 0.00 1.26 -0.02 0.00 -1.33 0.00 0.00 58.87 58.78 1x5q n SER 5 Cb 0.00 -3.53 -0.06 0.00 -0.75 0.00 0.00 64.21 59.88 1x5q n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5q s SER 6 N -5.39 -0.65 0.56 -3.46 0.01 -1.26 -5.17 113.70 98.33 1x5q s SER 6 Ca 0.00 0.99 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 1x5q s SER 6 Cb 0.00 1.46 0.03 0.00 0.21 0.00 0.00 66.02 67.72 1x5q s SER 6 CO 0.00 -0.15 0.82 -0.83 0.41 0.00 0.00 173.24 173.49 1x5q s GLY 7 N 1.82 1.71 0.62 3.44 0.00 -1.26 -5.04 107.32 108.61 1x5q s GLY 7 Ca -0.07 -1.09 -0.17 0.00 0.00 0.00 0.00 44.72 43.38 1x5q s GLY 7 CO -0.17 -0.81 0.64 1.18 0.00 0.00 0.00 173.10 173.94 1x5q n GLU 8 N -2.43 0.54 -2.43 2.90 -0.58 -1.26 -4.88 120.64 112.49 1x5q n GLU 8 Ca 0.06 0.22 -0.42 0.00 -0.42 0.00 0.00 57.16 56.59 1x5q n GLU 8 Cb 0.59 -1.86 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1x5q n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1x5q s PRO 9 N -2.46 4.32 0.27 3.49 0.04 -1.26 -4.82 135.00 134.58 1x5q s PRO 9 Ca 0.70 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1x5q s PRO 9 Cb -0.41 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1x5q s PRO 9 CO 0.53 -0.51 0.00 0.00 0.04 0.00 0.00 177.00 177.06 1x5q n ALA 10 N 5.50 -3.21 -2.43 8.56 0.00 -1.26 -4.87 120.51 122.81 1x5q n ALA 10 Ca 0.12 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.63 1x5q n ALA 10 Cb 0.46 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 1x5q n ALA 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x5q s ARG 11 N -2.38 1.79 -0.08 0.00 0.52 -1.26 -5.13 118.95 112.41 1x5q s ARG 11 Ca 0.00 -1.14 0.04 0.00 -0.52 0.00 0.00 55.73 54.10 1x5q s ARG 11 Cb 0.00 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.40 1x5q s ARG 11 CO 0.00 0.50 -0.20 0.42 0.02 0.00 0.00 175.30 176.04 1x5q s ILE 12 N -0.98 2.51 -0.30 1.52 1.01 -1.26 -5.10 121.20 118.60 1x5q s ILE 12 Ca 0.15 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.67 1x5q s ILE 12 Cb -0.10 -1.97 0.19 0.00 0.01 0.00 0.00 42.46 40.58 1x5q s ILE 12 CO 0.06 0.56 1.40 -1.83 0.00 0.00 0.00 174.94 175.13 1x5q s GLU 13 N -0.04 0.08 0.48 2.79 -1.05 -1.26 -5.15 118.70 114.55 1x5q s GLU 13 Ca -0.05 0.10 -0.16 0.00 -0.15 0.00 0.00 54.97 54.70 1x5q s GLU 13 Cb -0.14 0.04 -0.14 0.00 -0.44 0.00 0.00 34.13 33.45 1x5q s GLU 13 CO 0.05 -0.01 -0.15 0.39 0.95 0.00 0.00 175.26 176.49 1x5q n GLU 14 N 1.82 0.00 -4.52 -4.83 4.71 -1.26 -4.78 120.64 111.78 1x5q n GLU 14 Ca -0.11 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.79 1x5q n GLU 14 Cb 0.57 -0.91 -0.10 0.00 -1.01 0.00 0.00 31.44 29.98 1x5q n GLU 14 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1x5q s GLU 15 N -0.96 1.75 0.11 3.49 -1.05 0.54 -4.81 118.70 117.77 1x5q s GLU 15 Ca 0.51 -1.91 -0.25 0.00 -0.15 0.00 0.00 54.97 53.18 1x5q s GLU 15 Cb -0.44 -1.53 -0.07 0.00 -0.44 0.00 0.00 34.13 31.65 1x5q s GLU 15 CO 0.61 0.09 0.75 -1.21 0.95 0.00 0.00 175.26 176.45 1x5q s GLU 16 N -3.65 4.50 0.07 -4.83 2.02 -1.26 -0.05 118.70 115.50 1x5q s GLU 16 Ca 0.32 1.08 0.02 0.00 0.02 0.00 0.00 54.97 56.41 1x5q s GLU 16 Cb 0.03 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1x5q s GLU 16 CO 0.15 0.46 -0.07 -0.51 0.02 0.00 0.00 175.26 175.31 1x5q s LEU 17 N -0.69 2.41 -0.13 1.80 1.43 0.98 -4.93 118.68 119.54 1x5q s LEU 17 Ca 0.36 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1x5q s LEU 17 Cb -0.22 -0.09 0.04 0.00 0.03 0.00 0.00 46.19 45.95 1x5q s LEU 17 CO 0.24 -0.37 0.01 -0.89 0.23 0.00 0.00 176.35 175.57 1x5q s THR 18 N -2.74 0.52 0.27 5.49 2.01 -1.26 -0.89 115.64 119.04 1x5q s THR 18 Ca 0.03 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1x5q s THR 18 Cb -0.01 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1x5q s THR 18 CO -0.03 0.09 0.26 -0.76 -0.69 0.00 0.00 174.62 173.49 1x5q s LEU 19 N 1.89 3.90 -0.24 4.42 2.01 0.06 -4.94 118.68 125.78 1x5q s LEU 19 Ca 0.03 -0.22 -0.03 0.00 0.01 0.00 0.00 54.13 53.92 1x5q s LEU 19 Cb -0.14 -2.46 0.08 0.00 0.01 0.00 0.00 46.19 43.67 1x5q s LEU 19 CO -0.07 -0.12 0.07 -0.89 1.01 0.00 0.00 176.35 176.36 1x5q s THR 20 N -2.13 0.43 0.18 5.49 2.01 -1.26 -1.43 115.64 118.93 1x5q s THR 20 Ca 0.35 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1x5q s THR 20 Cb -0.08 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1x5q s THR 20 CO 0.26 -0.42 0.34 -0.63 -0.69 0.00 0.00 174.62 173.48 1x5q s ILE 21 N 1.88 5.27 -0.27 1.82 1.01 -0.70 -4.61 121.20 125.60 1x5q s ILE 21 Ca 0.04 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1x5q s ILE 21 Cb -0.17 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1x5q s ILE 21 CO -0.17 -0.15 0.12 -0.76 0.00 0.00 0.00 174.94 173.98 1x5q s LEU 22 N -3.33 3.76 -1.03 2.97 2.01 -1.26 0.32 118.68 122.11 1x5q s LEU 22 Ca 0.36 -0.26 -0.27 0.00 0.01 0.00 0.00 54.13 53.97 1x5q s LEU 22 Cb -0.11 -1.99 -0.22 0.00 0.01 0.00 0.00 46.19 43.89 1x5q s LEU 22 CO 0.29 -0.09 2.18 -0.13 1.01 0.00 0.00 176.35 179.61 1x5q s ARG 23 N 1.64 1.19 0.16 1.70 0.52 0.60 -4.70 118.95 120.06 1x5q s ARG 23 Ca 0.06 -0.24 -0.10 0.00 -0.52 0.00 0.00 55.73 54.93 1x5q s ARG 23 Cb -0.16 -4.94 0.04 0.00 0.52 0.00 0.00 34.95 30.41 1x5q s ARG 23 CO 0.06 -5.39 0.48 0.00 0.02 0.00 0.00 175.30 170.47 1x5q n GLN 24 N 8.28 0.48 -3.75 3.54 10.64 -1.24 -4.73 117.38 130.60 1x5q n GLN 24 Ca 0.42 -0.99 -0.27 0.00 -1.83 0.00 0.00 57.00 54.33 1x5q n GLN 24 Cb 0.46 1.28 -0.06 0.00 -0.86 0.00 0.00 30.24 31.06 1x5q n GLN 24 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1x5q n THR 25 N -0.33 -0.35 -0.91 -0.39 5.66 -1.26 0.12 114.28 116.81 1x5q n THR 25 Ca -0.03 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1x5q n THR 25 Cb 0.31 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 1x5q n THR 25 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x5q n GLY 26 N -1.51 0.87 6.61 1.09 0.00 -1.26 -4.69 105.19 106.30 1x5q n GLY 26 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1x5q n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5q n GLY 27 N -0.24 0.58 3.19 -0.02 0.00 0.12 -3.97 105.19 104.85 1x5q n GLY 27 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 1x5q n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5q s LEU 28 N 0.00 1.97 -0.82 0.99 1.02 -1.26 -3.73 118.68 116.85 1x5q s LEU 28 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.74 1x5q s LEU 28 Cb 0.00 -1.15 0.34 0.00 0.02 0.00 0.00 46.19 45.40 1x5q s LEU 28 CO 0.00 0.18 1.49 0.61 0.02 0.00 0.00 176.35 178.65 1x5q n GLY 29 N 3.12 5.90 3.18 -3.19 0.00 -1.25 -4.99 105.19 107.96 1x5q n GLY 29 Ca -0.18 -2.66 -0.11 0.00 0.00 0.00 0.00 46.02 43.07 1x5q n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5q s ILE 30 N -4.52 0.72 -0.05 -0.61 -4.36 -1.26 -0.86 121.20 110.26 1x5q s ILE 30 Ca 0.44 -1.95 0.05 0.00 -0.26 0.00 0.00 60.65 58.93 1x5q s ILE 30 Cb 0.26 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 1x5q s ILE 30 CO -0.16 -0.82 -0.19 -0.44 0.24 0.00 0.00 174.94 173.57 1x5q s SER 31 N -3.07 2.42 0.12 4.36 0.01 0.05 -4.94 113.70 112.65 1x5q s SER 31 Ca 0.14 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1x5q s SER 31 Cb 0.05 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1x5q s SER 31 CO -0.03 0.18 0.11 0.27 0.41 0.00 0.00 173.24 174.19 1x5q s ILE 32 N -0.05 4.55 -0.23 1.44 -4.36 -1.26 0.18 121.20 121.46 1x5q s ILE 32 Ca -0.03 -0.91 -0.04 0.00 -0.26 0.00 0.00 60.65 59.41 1x5q s ILE 32 Cb -0.12 -3.26 0.12 0.00 1.25 0.00 0.00 42.46 40.46 1x5q s ILE 32 CO 0.02 0.00 0.41 0.00 0.24 0.00 0.00 174.94 175.62 1x5q s ALA 33 N -1.58 -1.21 0.00 2.27 0.00 -0.75 -4.73 121.76 115.76 1x5q s ALA 33 Ca 0.30 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1x5q s ALA 33 Cb -0.11 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1x5q s ALA 33 CO 0.23 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1x5q n GLY 34 N 5.38 0.51 0.00 0.00 0.00 -1.26 -3.42 105.19 106.40 1x5q n GLY 34 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1x5q n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5q n GLY 35 N 0.00 -0.48 3.31 -0.02 0.00 -1.15 -4.49 105.19 102.36 1x5q n GLY 35 Ca 0.00 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1x5q n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5q n LYS 36 N 0.25 -0.40 -3.93 1.61 4.81 -0.50 -2.95 118.16 117.06 1x5q n LYS 36 Ca 0.00 -0.09 -0.27 0.00 -0.87 0.00 0.00 58.31 57.09 1x5q n LYS 36 Cb 0.00 -1.66 -0.01 0.00 0.02 0.00 0.00 35.03 33.38 1x5q n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5q n GLY 37 N 1.98 -0.32 3.77 3.14 0.00 -1.26 -4.14 105.19 108.36 1x5q n GLY 37 Ca 0.04 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 1x5q n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5q s SER 38 N -4.25 -0.06 0.41 1.61 0.15 -1.15 -4.95 113.70 105.45 1x5q s SER 38 Ca 0.07 -0.30 -0.24 0.00 0.70 0.00 0.00 55.95 56.17 1x5q s SER 38 Cb -0.03 0.29 -0.09 0.00 -1.71 0.00 0.00 66.02 64.48 1x5q s SER 38 CO 0.89 -0.55 1.08 -0.89 1.20 0.00 0.00 173.24 174.98 1x5q s THR 39 N -2.46 3.54 1.11 6.45 2.01 -1.26 -4.85 115.64 120.18 1x5q s THR 39 Ca 0.18 1.20 -0.19 0.00 0.31 0.00 0.00 61.69 63.20 1x5q s THR 39 Cb 0.01 -3.63 0.26 0.00 0.01 0.00 0.00 72.50 69.16 1x5q s THR 39 CO -0.00 0.02 1.23 -2.16 -0.69 0.00 0.00 174.62 173.02 1x5q s PRO 40 N -2.48 -0.54 -0.03 4.92 0.04 -1.26 -4.04 135.00 131.61 1x5q s PRO 40 Ca 0.58 -0.34 0.01 0.00 0.04 0.00 0.00 61.00 61.30 1x5q s PRO 40 Cb -0.24 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1x5q s PRO 40 CO 0.30 -3.21 -0.01 0.98 0.04 0.00 0.00 177.00 175.11 1x5q n TYR 41 N -4.35 0.00 0.00 0.56 9.36 -1.26 -4.76 117.16 116.71 1x5q n TYR 41 Ca 0.16 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.38 1x5q n TYR 41 Cb 0.59 -0.12 -0.00 0.00 -0.63 0.00 0.00 39.34 39.19 1x5q n TYR 41 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1x5q n LYS 42 N -2.29 0.00 -3.72 2.98 5.02 -1.26 -5.13 118.16 113.77 1x5q n LYS 42 Ca -0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.06 1x5q n LYS 42 Cb 0.57 -0.10 -0.05 0.00 -0.02 0.00 0.00 35.03 35.43 1x5q n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x5q n GLY 43 N 3.21 3.51 3.50 0.72 0.00 -1.26 -5.03 105.19 109.84 1x5q n GLY 43 Ca -0.00 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 1x5q n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5q n ASP 44 N -1.64 2.64 -3.74 1.61 8.00 -1.26 -4.68 116.55 117.47 1x5q n ASP 44 Ca -0.05 -2.66 -0.12 0.00 0.71 0.00 0.00 54.79 52.67 1x5q n ASP 44 Cb 0.44 -1.59 -0.13 0.00 -0.02 0.00 0.00 41.12 39.82 1x5q n ASP 44 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1x5q s ASP 45 N 6.58 -0.26 -0.14 -2.24 1.11 -1.26 -5.04 116.67 115.42 1x5q s ASP 45 Ca 0.69 0.51 -0.05 0.00 0.18 0.00 0.00 52.55 53.87 1x5q s ASP 45 Cb 0.02 0.42 -0.16 0.00 1.07 0.00 0.00 42.92 44.27 1x5q s ASP 45 CO 0.15 -0.15 3.31 -0.62 1.18 0.00 0.00 175.17 179.04 1x5q n GLU 46 N 3.94 2.10 -4.14 8.23 1.02 -1.26 -4.70 120.64 125.83 1x5q n GLU 46 Ca -0.22 -1.40 -0.23 0.00 -0.02 0.00 0.00 57.16 55.29 1x5q n GLU 46 Cb 0.54 -2.02 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 1x5q n GLU 46 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1x5q s GLY 47 N 1.47 1.75 -0.35 0.62 0.00 -1.26 -4.07 107.32 105.48 1x5q s GLY 47 Ca 0.62 -1.69 -0.14 0.00 0.00 0.00 0.00 44.72 43.51 1x5q s GLY 47 CO -0.07 -1.68 0.30 -0.42 0.00 0.00 0.00 173.10 171.23 1x5q s ILE 48 N -2.34 5.23 0.13 0.90 -1.09 -1.26 -2.94 121.20 119.84 1x5q s ILE 48 Ca 0.35 -0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.66 1x5q s ILE 48 Cb -0.05 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1x5q s ILE 48 CO 0.22 -0.09 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.44 1x5q s PHE 49 N 1.84 2.82 0.05 3.97 0.40 -1.22 0.71 117.98 126.55 1x5q s PHE 49 Ca 0.08 -0.13 -0.31 0.00 -0.60 0.00 0.00 56.93 55.98 1x5q s PHE 49 Cb -0.17 -1.42 -0.06 0.00 0.51 0.00 0.00 43.02 41.88 1x5q s PHE 49 CO 0.11 0.48 1.22 0.42 0.70 0.00 0.00 175.22 178.15 1x5q s ILE 50 N -1.44 3.98 -0.20 0.64 -1.09 -0.42 -1.81 121.20 120.85 1x5q s ILE 50 Ca 0.25 1.41 -0.10 0.00 -2.23 0.00 0.00 60.65 59.98 1x5q s ILE 50 Cb -0.10 -3.90 -0.20 0.00 -1.58 0.00 0.00 42.46 36.67 1x5q s ILE 50 CO 0.16 0.10 0.10 -0.24 -1.23 0.00 0.00 174.94 173.83 1x5q n SER 51 N 4.08 2.00 -3.85 3.58 2.88 0.48 -1.92 113.62 120.87 1x5q n SER 51 Ca 0.09 0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.73 1x5q n SER 51 Cb 0.46 -0.79 -0.09 0.00 -0.75 0.00 0.00 64.21 63.03 1x5q n SER 51 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x5q s ARG 52 N -2.49 0.56 -0.19 -1.46 6.06 -1.13 -4.85 118.95 115.44 1x5q s ARG 52 Ca -0.29 -0.41 -0.04 0.00 -2.50 0.00 0.00 55.73 52.49 1x5q s ARG 52 Cb 0.08 0.24 0.06 0.00 0.06 0.00 0.00 34.95 35.39 1x5q s ARG 52 CO 0.65 -0.14 0.06 0.08 -2.50 0.00 0.00 175.30 173.45 1x5q s VAL 53 N -1.62 0.27 -0.30 7.11 1.01 -1.26 -0.77 120.40 124.84 1x5q s VAL 53 Ca -0.13 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1x5q s VAL 53 Cb -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1x5q s VAL 53 CO 0.01 -0.28 2.04 -0.44 0.00 0.00 0.00 175.10 176.43 1x5q s SER 54 N 1.97 5.56 0.55 3.32 0.01 -0.04 -4.81 113.70 120.26 1x5q s SER 54 Ca 0.01 1.51 0.24 0.00 1.31 0.00 0.00 55.95 59.03 1x5q s SER 54 Cb -0.17 -2.52 1.49 0.00 0.21 0.00 0.00 66.02 65.04 1x5q s SER 54 CO -0.10 -1.94 2.10 1.05 0.41 0.00 0.00 173.24 174.76 1x5q h GLU 55 N 14.45 0.00 -0.75 12.44 4.11 -1.98 0.26 114.58 143.11 1x5q h GLU 55 Ca -0.36 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.73 1x5q h GLU 55 Cb 1.21 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.25 1x5q h GLU 55 CO 1.02 0.00 0.36 -1.91 0.07 0.00 0.00 179.01 178.55 1x5q n GLU 56 N -4.16 2.59 -4.07 1.06 2.13 -1.26 -4.75 120.64 112.17 1x5q n GLU 56 Ca 0.02 -3.06 -0.28 0.00 0.66 0.00 0.00 57.16 54.50 1x5q n GLU 56 Cb 0.32 -2.10 -0.02 0.00 0.27 0.00 0.00 31.44 29.92 1x5q n GLU 56 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1x5q s GLY 57 N -1.53 2.53 0.27 8.31 0.00 0.92 -5.03 107.32 112.78 1x5q s GLY 57 Ca 0.53 -0.97 0.13 0.00 0.00 0.00 0.00 44.72 44.41 1x5q s GLY 57 CO 0.09 -2.01 1.55 -0.56 0.00 0.00 0.00 173.10 172.18 1x5q h PRO 58 N 0.82 0.00 0.54 2.90 0.13 -1.83 -3.19 132.00 131.37 1x5q h PRO 58 Ca -0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1x5q h PRO 58 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1x5q h PRO 58 CO 0.60 0.61 -0.26 0.00 -0.23 0.00 0.00 178.00 178.72 1x5q h ALA 59 N 1.39 -0.73 -1.07 -0.56 0.00 -1.85 -0.34 119.26 116.11 1x5q h ALA 59 Ca -0.01 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.03 1x5q h ALA 59 Cb 1.22 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 19.16 1x5q h ALA 59 CO 0.08 -0.78 0.65 0.00 0.00 0.00 0.00 179.25 179.19 1x5q h ALA 60 N -0.69 2.13 0.04 0.00 0.00 -1.65 0.39 119.26 119.48 1x5q h ALA 60 Ca -0.07 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x5q h ALA 60 Cb 0.63 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1x5q h ALA 60 CO 0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 179.25 178.67 1x5q h ARG 61 N 0.34 -0.05 -1.08 0.00 3.08 -1.47 -2.88 114.38 112.32 1x5q h ARG 61 Ca 0.70 0.00 0.29 0.00 0.07 0.00 0.00 59.98 61.05 1x5q h ARG 61 Cb 1.73 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.69 1x5q h ARG 61 CO -0.48 0.33 0.69 0.00 -1.07 0.00 0.00 179.97 179.44 1x5q h ALA 62 N 0.51 2.30 0.00 0.04 0.00 0.15 -3.44 119.26 118.82 1x5q h ALA 62 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x5q h ALA 62 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x5q h ALA 62 CO 0.01 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 178.92 1x5q n GLY 63 N -1.48 1.99 3.84 0.00 0.00 -0.44 -4.46 105.19 104.65 1x5q n GLY 63 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1x5q n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5q s VAL 64 N -2.00 4.39 -0.03 1.61 0.11 -1.05 -5.01 120.40 118.43 1x5q s VAL 64 Ca 0.00 0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 59.94 1x5q s VAL 64 Cb 0.00 -3.66 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1x5q s VAL 64 CO 0.00 -0.88 0.08 -0.13 -3.33 0.00 0.00 175.10 170.83 1x5q s ARG 65 N -4.72 0.09 0.28 1.54 3.00 -1.26 -4.71 118.95 113.17 1x5q s ARG 65 Ca 0.58 0.10 -0.30 0.00 0.00 0.00 0.00 55.73 56.11 1x5q s ARG 65 Cb -0.12 0.04 -0.10 0.00 0.00 0.00 0.00 34.95 34.77 1x5q s ARG 65 CO 0.46 -0.01 1.47 0.08 0.00 0.00 0.00 175.30 177.30 1x5q s VAL 66 N 0.02 2.45 0.00 3.52 1.01 -1.26 -1.80 120.40 124.35 1x5q s VAL 66 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1x5q s VAL 66 Cb -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1x5q s VAL 66 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1x5q n GLY 67 N 1.85 1.25 3.66 4.51 0.00 -0.81 -4.96 105.19 110.70 1x5q n GLY 67 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1x5q n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5q n ASP 68 N 0.00 2.74 -4.39 1.61 8.00 -0.74 -4.50 116.55 119.27 1x5q n ASP 68 Ca 0.00 1.12 -0.44 0.00 0.71 0.00 0.00 54.79 56.18 1x5q n ASP 68 Cb 0.00 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 39.65 1x5q n ASP 68 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1x5q s LYS 69 N 0.10 3.06 0.43 -1.24 2.20 -0.93 -1.30 119.74 122.05 1x5q s LYS 69 Ca 0.73 -1.21 -0.25 0.00 -0.36 0.00 0.00 55.97 54.88 1x5q s LYS 69 Cb -0.69 -4.26 -0.10 0.00 -1.51 0.00 0.00 37.83 31.28 1x5q s LYS 69 CO 0.46 -1.60 1.18 -0.11 -0.36 0.00 0.00 175.35 174.92 1x5q n LEU 70 N 6.63 3.60 0.00 5.43 7.94 0.22 0.33 117.00 141.15 1x5q n LEU 70 Ca -0.08 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 1x5q n LEU 70 Cb 0.43 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1x5q n LEU 70 CO 0.60 -0.94 -0.40 0.18 -1.11 0.00 0.00 177.39 175.71 1x5q n LEU 71 N 0.25 2.25 -4.01 -1.96 4.77 0.51 -4.35 117.00 114.47 1x5q n LEU 71 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1x5q n LEU 71 Cb 0.40 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1x5q n LEU 71 CO 0.58 0.37 -0.05 -1.61 -1.33 0.00 0.00 177.39 175.35 1x5q s GLU 72 N -1.82 1.18 -0.30 3.23 8.01 -0.89 -2.24 118.70 125.87 1x5q s GLU 72 Ca 0.00 -1.26 0.02 0.00 0.01 0.00 0.00 54.97 53.74 1x5q s GLU 72 Cb 0.00 0.36 0.16 0.00 -4.31 0.00 0.00 34.13 30.34 1x5q s GLU 72 CO 0.00 -0.43 0.39 0.08 0.01 0.00 0.00 175.26 175.31 1x5q s VAL 73 N -4.00 -0.57 0.00 2.63 1.01 0.43 -1.23 120.40 118.67 1x5q s VAL 73 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1x5q s VAL 73 Cb 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1x5q s VAL 73 CO 0.02 -0.34 0.00 -3.20 0.00 0.00 0.00 175.10 171.59 1x5q n ASN 74 N 5.28 -2.66 0.00 3.32 2.85 0.21 -1.86 115.26 122.39 1x5q n ASN 74 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1x5q n ASN 74 Cb 0.49 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.23 1x5q n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5q n GLY 75 N -1.78 1.10 3.70 8.20 0.00 -1.26 -5.00 105.19 110.14 1x5q n GLY 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1x5q n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5q s VAL 76 N -2.01 4.93 -0.25 1.61 0.11 -0.78 -4.99 120.40 119.03 1x5q s VAL 76 Ca 0.00 1.71 -0.29 0.00 -2.93 0.00 0.00 61.98 60.47 1x5q s VAL 76 Cb 0.00 -4.16 -0.01 0.00 -1.53 0.00 0.00 36.38 30.67 1x5q s VAL 76 CO 0.00 0.15 1.43 0.00 -3.33 0.00 0.00 175.10 173.35 1x5q s ALA 77 N 1.32 3.36 -0.33 1.54 0.00 -1.26 -0.43 121.76 125.96 1x5q s ALA 77 Ca 0.42 0.30 0.22 0.00 0.00 0.00 0.00 51.96 52.90 1x5q s ALA 77 Cb -0.18 -3.79 -0.29 0.00 0.00 0.00 0.00 23.12 18.86 1x5q s ALA 77 CO 0.19 -1.78 0.63 1.28 0.00 0.00 0.00 175.76 176.08 1x5q n LEU 78 N 7.84 0.32 0.00 0.00 4.77 -0.95 -4.43 117.00 124.55 1x5q n LEU 78 Ca 0.16 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1x5q n LEU 78 Cb 0.46 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1x5q n LEU 78 CO 0.63 0.07 0.27 1.67 -1.33 0.00 0.00 177.39 178.70 1x5q n GLN 79 N -2.04 0.00 -1.32 3.23 0.00 -1.17 -0.66 117.38 115.42 1x5q n GLN 79 Ca -0.01 0.54 -0.29 0.00 -0.00 0.00 0.00 57.00 57.23 1x5q n GLN 79 Cb 0.50 -0.94 0.04 0.00 0.00 0.00 0.00 30.24 29.83 1x5q n GLN 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x5q n GLY 80 N -0.94 5.01 3.74 1.69 0.00 -1.26 -4.08 105.19 109.36 1x5q n GLY 80 Ca 0.00 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 1x5q n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5q s ALA 81 N -2.88 3.42 0.71 4.61 0.00 0.17 -4.90 121.76 122.90 1x5q s ALA 81 Ca 0.51 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1x5q s ALA 81 Cb 0.39 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1x5q s ALA 81 CO -0.11 0.48 1.08 -1.21 0.00 0.00 0.00 175.76 176.00 1x5q s GLU 82 N -3.09 2.62 0.15 0.00 2.02 -1.26 -1.40 118.70 117.74 1x5q s GLU 82 Ca 0.30 0.28 -0.21 0.00 0.02 0.00 0.00 54.97 55.35 1x5q s GLU 82 Cb -0.10 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.12 1x5q s GLU 82 CO 0.22 -1.13 1.64 1.25 0.02 0.00 0.00 175.26 177.26 1x5q h HIS 83 N -0.68 -0.50 -0.29 1.61 6.17 -1.79 -0.02 115.15 119.66 1x5q h HIS 83 Ca -0.45 0.03 0.06 0.00 0.71 0.00 0.00 60.37 60.72 1x5q h HIS 83 Cb 1.27 0.26 -0.06 0.00 2.52 0.00 0.00 27.41 31.41 1x5q h HIS 83 CO 0.44 -0.27 -0.09 1.12 0.71 0.00 0.00 177.93 179.84 1x5q h HIS 84 N -0.18 -0.21 -0.61 5.26 2.07 -1.94 0.86 115.15 120.40 1x5q h HIS 84 Ca 0.14 0.03 0.12 0.00 -2.85 0.00 0.00 60.37 57.81 1x5q h HIS 84 Cb 0.40 0.14 -0.10 0.00 2.57 0.00 0.00 27.41 30.42 1x5q h HIS 84 CO -0.36 -0.15 0.04 0.93 -3.07 0.00 0.00 177.93 175.31 1x5q h GLU 85 N -0.03 0.15 0.58 5.12 5.08 -1.61 0.73 114.58 124.60 1x5q h GLU 85 Ca 0.14 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1x5q h GLU 85 Cb 0.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1x5q h GLU 85 CO -0.32 0.10 -0.28 0.00 -1.00 0.00 0.00 179.01 177.51 1x5q h ALA 86 N 1.53 -0.79 -0.06 3.43 0.00 0.14 0.48 119.26 124.00 1x5q h ALA 86 Ca 0.32 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1x5q h ALA 86 Cb 0.51 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1x5q h ALA 86 CO -0.49 -0.94 -0.40 0.28 0.00 0.00 0.00 179.25 177.70 1x5q h VAL 87 N -0.79 0.18 -0.09 0.00 2.07 0.15 0.38 116.25 118.15 1x5q h VAL 87 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1x5q h VAL 87 Cb 0.61 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1x5q h VAL 87 CO 0.13 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 177.08 1x5q h GLU 88 N -0.52 -0.39 -0.72 1.57 4.39 0.56 -1.05 114.58 118.43 1x5q h GLU 88 Ca 0.06 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.93 1x5q h GLU 88 Cb 0.62 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.23 1x5q h GLU 88 CO -0.34 -0.26 -0.24 0.00 -1.16 0.00 0.00 179.01 177.01 1x5q h ALA 89 N 0.42 0.31 -0.26 3.43 0.00 0.65 0.42 119.26 124.23 1x5q h ALA 89 Ca 0.09 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1x5q h ALA 89 Cb 0.53 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1x5q h ALA 89 CO -0.31 -0.50 -0.18 -0.07 0.00 0.00 0.00 179.25 178.18 1x5q h LEU 90 N -0.05 -0.59 -0.13 0.00 3.38 0.13 -1.83 115.31 116.21 1x5q h LEU 90 Ca 0.32 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.46 1x5q h LEU 90 Cb 0.55 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1x5q h LEU 90 CO -0.76 -0.22 -0.16 0.03 0.09 0.00 0.00 178.44 177.42 1x5q h ARG 91 N -0.17 -0.19 -5.85 1.13 3.08 0.82 -3.30 114.38 109.91 1x5q h ARG 91 Ca 0.14 0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.69 1x5q h ARG 91 Cb 0.38 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1x5q h ARG 91 CO -0.36 -0.13 1.50 0.20 -1.07 0.00 0.00 179.97 180.11 1x5q s GLY 92 N -2.64 0.98 -0.28 0.04 0.00 0.11 -4.83 107.32 100.69 1x5q s GLY 92 Ca -0.14 -2.30 -0.17 0.00 0.00 0.00 0.00 44.72 42.11 1x5q s GLY 92 CO 0.68 3.00 0.87 0.00 0.00 0.00 0.00 173.10 177.65 1x5q s ALA 93 N 6.76 -2.10 1.01 3.20 0.00 -1.24 -4.82 121.76 124.57 1x5q s ALA 93 Ca 0.57 2.25 -0.01 0.00 0.00 0.00 0.00 51.96 54.77 1x5q s ALA 93 Cb -0.00 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1x5q s ALA 93 CO 0.01 -0.35 0.03 0.41 0.00 0.00 0.00 175.76 175.86 1x5q n GLY 94 N 3.75 -3.57 0.06 0.00 0.00 -1.26 -4.89 105.19 99.29 1x5q n GLY 94 Ca -0.18 -1.26 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 1x5q n GLY 94 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x5q h THR 95 N -1.99 0.00 -3.20 2.61 2.02 -1.93 -3.34 112.91 107.07 1x5q h THR 95 Ca -0.01 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.60 1x5q h THR 95 Cb 0.04 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.40 1x5q h THR 95 CO 0.01 0.00 1.00 0.00 0.37 0.00 0.00 175.52 176.90 1x5q s ALA 96 N -4.08 3.25 -0.48 6.16 0.00 -1.26 -0.29 121.76 125.06 1x5q s ALA 96 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 1x5q s ALA 96 Cb 0.01 -3.84 0.05 0.00 0.00 0.00 0.00 23.12 19.35 1x5q s ALA 96 CO 0.08 -2.00 0.57 0.08 0.00 0.00 0.00 175.76 174.50 1x5q s VAL 97 N 4.73 4.95 -0.13 0.00 1.01 0.15 -4.89 120.40 126.23 1x5q s VAL 97 Ca 0.58 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1x5q s VAL 97 Cb -0.15 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1x5q s VAL 97 CO 0.27 -0.70 0.82 -1.58 0.00 0.00 0.00 175.10 173.91 1x5q s GLN 98 N 2.44 4.36 -0.11 2.72 0.74 -1.26 -1.71 119.66 126.84 1x5q s GLN 98 Ca 0.14 1.02 -0.00 0.00 0.05 0.00 0.00 55.36 56.57 1x5q s GLN 98 Cb -0.19 -3.53 0.02 0.00 1.10 0.00 0.00 33.01 30.41 1x5q s GLN 98 CO 0.12 -0.21 -0.08 -1.64 -0.55 0.00 0.00 175.29 172.93 1x5q s MET 99 N 1.71 1.53 -0.52 1.67 -1.94 -0.51 0.64 119.30 121.88 1x5q s MET 99 Ca 0.39 -0.26 -0.19 0.00 -1.71 0.00 0.00 55.69 53.92 1x5q s MET 99 Cb -0.17 -1.55 0.07 0.00 2.01 0.00 0.00 34.83 35.18 1x5q s MET 99 CO 0.15 -0.23 0.61 0.50 -0.01 0.00 0.00 175.02 176.04 1x5q s ARG 100 N 1.59 3.09 0.21 2.03 3.52 -0.37 -0.76 118.95 128.26 1x5q s ARG 100 Ca 0.03 -1.02 0.06 0.00 -0.13 0.00 0.00 55.73 54.66 1x5q s ARG 100 Cb -0.13 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1x5q s ARG 100 CO -0.07 -1.25 0.20 0.14 -0.81 0.00 0.00 175.30 173.52 1x5q s VAL 101 N 2.50 4.65 -0.17 7.11 -7.23 -0.06 0.19 120.40 127.39 1x5q s VAL 101 Ca 0.13 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1x5q s VAL 101 Cb -0.21 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 1x5q s VAL 101 CO 0.10 -0.24 -0.07 0.86 -0.31 0.00 0.00 175.10 175.44 1x5q s TRP 102 N -1.94 2.93 0.06 2.82 -0.00 0.15 -0.02 118.94 122.94 1x5q s TRP 102 Ca 0.32 -0.65 -0.23 0.00 -0.00 0.00 0.00 56.10 55.54 1x5q s TRP 102 Cb -0.09 -1.97 0.06 0.00 -0.00 0.00 0.00 33.47 31.46 1x5q s TRP 102 CO 0.25 -0.28 0.54 0.50 -0.00 0.00 0.00 176.95 177.97 1x5q s ARG 103 N 0.76 1.08 -0.09 5.86 3.52 0.93 -2.18 118.95 128.83 1x5q s ARG 103 Ca -0.03 -0.23 -0.17 0.00 -0.13 0.00 0.00 55.73 55.17 1x5q s ARG 103 Cb -0.15 0.49 -0.05 0.00 -1.56 0.00 0.00 34.95 33.69 1x5q s ARG 103 CO 0.02 -0.40 0.44 -2.00 -0.81 0.00 0.00 175.30 172.55 1x5q s GLU 104 N -2.55 4.22 -0.83 5.12 -6.30 -1.26 0.20 118.70 117.30 1x5q s GLU 104 Ca -0.05 0.41 -0.14 0.00 -2.50 0.00 0.00 54.97 52.69 1x5q s GLU 104 Cb -0.01 -3.37 0.21 0.00 0.00 0.00 0.00 34.13 30.96 1x5q s GLU 104 CO -0.02 0.32 0.79 0.45 0.02 0.00 0.00 175.26 176.82 1x5q s SER 105 N 0.10 6.75 0.00 -1.70 0.15 -1.26 -4.91 113.70 112.83 1x5q s SER 105 Ca 0.24 -2.63 0.00 0.00 0.70 0.00 0.00 55.95 54.27 1x5q s SER 105 Cb -0.15 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x5q s SER 105 CO 0.11 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1x5q n GLY 106 N 4.10 4.40 3.81 9.45 0.00 -1.26 -5.11 105.19 120.59 1x5q n GLY 106 Ca 0.14 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1x5q n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5q s PRO 107 N 3.78 3.32 0.16 1.61 0.04 -1.26 -4.97 135.00 137.68 1x5q s PRO 107 Ca 0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1x5q s PRO 107 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x5q s PRO 107 CO 0.00 -0.80 0.00 0.43 0.04 0.00 0.00 177.00 176.67 1x5q n SER 108 N -2.18 -0.17 0.00 6.66 7.64 -1.26 -4.98 113.62 119.33 1x5q n SER 108 Ca 0.08 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1x5q n SER 108 Cb 0.53 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 1x5q n SER 108 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5q n SER 109 N -3.04 0.00 -0.17 6.43 2.88 -1.26 -5.35 113.62 113.11 1x5q n SER 109 Ca 0.00 0.69 0.02 0.00 -1.33 0.00 0.00 58.87 58.25 1x5q n SER 109 Cb 0.00 -0.25 0.02 0.00 -0.75 0.00 0.00 64.21 63.23 1x5q n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42