#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ysm h ALA 2 N 0.00 1.01 -0.57 -5.12 0.00 -2.04 0.18 119.26 112.72 1ysm h ALA 2 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1ysm h ALA 2 Cb 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1ysm h ALA 2 CO 0.00 -0.33 -0.02 0.77 0.00 0.00 0.00 179.25 179.67 1ysm h SER 3 N 0.30 -0.30 -0.30 0.00 0.02 -2.05 0.61 113.55 111.83 1ysm h SER 3 Ca 0.43 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.50 1ysm h SER 3 Cb 0.74 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1ysm h SER 3 CO -0.50 -0.11 0.10 0.58 -1.14 0.00 0.00 176.83 175.75 1ysm h VAL 4 N 0.10 1.20 -0.45 2.27 2.07 -1.15 0.11 116.25 120.40 1ysm h VAL 4 Ca 0.29 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1ysm h VAL 4 Cb 0.46 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1ysm h VAL 4 CO -0.50 0.22 0.05 -0.07 0.02 0.00 0.00 177.57 177.28 1ysm h LEU 5 N 0.33 -0.08 -0.52 2.57 3.38 -0.35 0.89 115.31 121.52 1ysm h LEU 5 Ca 0.10 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ysm h LEU 5 Cb 0.24 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1ysm h LEU 5 CO -0.00 -0.01 0.34 -0.33 0.09 0.00 0.00 178.44 178.53 1ysm h GLU 6 N 0.17 0.68 -0.32 1.13 4.39 -0.47 0.96 114.58 121.11 1ysm h GLU 6 Ca 0.22 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1ysm h GLU 6 Cb 0.30 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1ysm h GLU 6 CO -0.33 0.45 0.07 0.93 -1.16 0.00 0.00 179.01 178.97 1ysm h GLU 7 N 0.70 0.18 -0.64 2.33 5.08 0.02 0.17 114.58 122.41 1ysm h GLU 7 Ca 0.19 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ysm h GLU 7 Cb -0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1ysm h GLU 7 CO -0.05 0.12 0.40 -0.07 -1.00 0.00 0.00 179.01 178.41 1ysm h LEU 8 N 0.19 0.76 -0.67 1.33 3.38 -0.47 0.24 115.31 120.08 1ysm h LEU 8 Ca 0.15 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ysm h LEU 8 Cb 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ysm h LEU 8 CO -0.19 0.58 0.44 -0.61 0.09 0.00 0.00 178.44 178.75 1ysm h GLN 9 N 0.87 0.88 -0.13 1.13 4.15 -0.26 0.16 115.11 121.90 1ysm h GLN 9 Ca 0.23 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1ysm h GLN 9 Cb -0.05 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1ysm h GLN 9 CO -0.05 0.58 0.07 -0.22 -1.93 0.00 0.00 178.83 177.28 1ysm h LYS 10 N 0.90 0.15 -0.49 1.69 1.63 -0.27 0.89 116.57 121.06 1ysm h LYS 10 Ca 0.24 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.10 1ysm h LYS 10 Cb -0.10 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.44 1ysm h LYS 10 CO -0.05 0.10 0.17 0.22 -3.45 0.00 0.00 179.45 176.43 1ysm h ASP 11 N 0.15 0.16 -0.46 4.20 3.58 -0.47 -0.11 116.42 123.47 1ysm h ASP 11 Ca 0.05 0.06 0.09 0.00 0.42 0.00 0.00 57.03 57.65 1ysm h ASP 11 Cb 0.00 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 1ysm h ASP 11 CO -0.03 0.12 0.02 0.25 -2.88 0.00 0.00 179.24 176.71 1ysm h LEU 12 N 0.34 -0.16 -0.39 2.28 5.85 -0.30 -0.18 115.31 122.74 1ysm h LEU 12 Ca 0.24 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1ysm h LEU 12 Cb 0.26 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1ysm h LEU 12 CO -0.25 -0.05 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.65 1ysm h GLU 13 N 0.13 0.02 -0.20 1.25 4.57 0.56 0.11 114.58 121.02 1ysm h GLU 13 Ca 0.23 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.46 1ysm h GLU 13 Cb 0.34 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 1ysm h GLU 13 CO -0.37 0.02 -0.10 0.93 -1.18 0.00 0.00 179.01 178.31 1ysm h GLU 14 N 0.02 -0.07 -0.46 1.92 3.07 0.17 -0.28 114.58 118.94 1ysm h GLU 14 Ca 0.19 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.01 1ysm h GLU 14 Cb 0.29 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1ysm h GLU 14 CO -0.38 -0.05 0.10 -0.24 -1.40 0.00 0.00 179.01 177.04 1ysm h VAL 15 N -0.08 1.24 -0.63 3.13 3.04 -0.28 0.46 116.25 123.12 1ysm h VAL 15 Ca 0.11 -0.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 1ysm h VAL 15 Cb 0.24 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 1ysm h VAL 15 CO -0.25 0.30 0.36 0.07 -1.01 0.00 0.00 177.57 177.04 1ysm h LYS 16 N 0.62 0.87 0.11 4.17 2.10 -0.80 0.22 116.57 123.88 1ysm h LYS 16 Ca 0.14 -0.09 0.01 0.00 -2.00 0.00 0.00 60.65 58.72 1ysm h LYS 16 Cb 0.34 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 1ysm h LYS 16 CO 0.00 0.64 -0.21 0.28 -2.00 0.00 0.00 179.45 178.17 1ysm h VAL 17 N 0.86 0.53 -0.82 0.07 2.07 -0.76 -0.43 116.25 117.76 1ysm h VAL 17 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1ysm h VAL 17 Cb 0.01 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1ysm h VAL 17 CO -0.04 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 178.00 1ysm h LEU 18 N -0.40 0.96 -0.09 2.57 3.38 -0.62 0.02 115.31 121.12 1ysm h LEU 18 Ca 0.03 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ysm h LEU 18 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1ysm h LEU 18 CO -0.12 0.71 -0.11 0.25 0.09 0.00 0.00 178.44 179.27 1ysm h LEU 19 N 1.11 -0.33 0.31 1.67 6.46 -0.25 0.32 115.31 124.61 1ysm h LEU 19 Ca 0.30 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.11 1ysm h LEU 19 Cb -0.10 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1ysm h LEU 19 CO -0.06 -0.15 -0.15 -0.33 -0.62 0.00 0.00 178.44 177.13 1ysm h GLU 20 N -0.14 -0.41 0.00 1.25 4.39 -0.72 -3.35 114.58 115.60 1ysm h GLU 20 Ca 0.07 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ysm h GLU 20 Cb 0.24 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1ysm h GLU 20 CO -0.18 -0.27 0.00 1.63 -1.16 0.00 0.00 179.01 179.03 1ysm n LYS 21 N -5.27 0.00 -1.67 2.33 5.02 -0.04 -4.30 118.16 114.23 1ysm n LYS 21 Ca -0.10 0.46 -0.41 0.00 -2.02 0.00 0.00 58.31 56.25 1ysm n LYS 21 Cb 0.19 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1ysm n LYS 21 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ysm n SER 22 N -1.89 6.16 -1.81 4.39 7.64 0.11 -4.80 113.62 123.41 1ysm n SER 22 Ca 0.00 -2.80 -0.02 0.00 1.01 0.00 0.00 58.87 57.06 1ysm n SER 22 Cb 0.00 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.59 1ysm n SER 22 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ysm n THR 23 N 4.06 1.48 -2.47 0.44 5.66 -1.26 -4.48 114.28 117.70 1ysm n THR 23 Ca 0.61 -0.51 -0.24 0.00 -3.05 0.00 0.00 64.05 60.87 1ysm n THR 23 Cb 0.32 -1.46 0.13 0.00 -1.55 0.00 0.00 70.33 67.76 1ysm n THR 23 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ysm n ARG 24 N 1.95 -0.31 -0.20 1.09 1.74 -1.26 -4.97 116.66 114.70 1ysm n ARG 24 Ca 0.08 -2.54 0.30 0.00 -0.77 0.00 0.00 57.85 54.92 1ysm n ARG 24 Cb 0.40 -0.77 0.73 0.00 -1.02 0.00 0.00 32.46 31.80 1ysm n ARG 24 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ysm h LYS 25 N 0.00 0.00 -0.26 5.56 1.57 -2.03 -2.15 116.57 119.26 1ysm h LYS 25 Ca -0.34 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1ysm h LYS 25 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1ysm h LYS 25 CO 0.34 0.00 0.40 0.07 -0.57 0.00 0.00 179.45 179.69 1ysm h ARG 26 N 0.00 0.00 -0.55 3.15 -0.00 -1.93 0.79 114.38 115.84 1ysm h ARG 26 Ca 0.46 0.00 0.10 0.00 -0.00 0.00 0.00 59.98 60.54 1ysm h ARG 26 Cb 1.91 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 31.77 1ysm h ARG 26 CO -0.00 0.00 -0.28 -0.07 -0.00 0.00 0.00 179.97 179.62 1ysm h LEU 27 N 0.00 -0.96 0.77 0.08 4.07 -1.61 0.15 115.31 117.81 1ysm h LEU 27 Ca 0.12 0.21 -0.04 0.00 0.08 0.00 0.00 57.88 58.25 1ysm h LEU 27 Cb 0.92 0.50 0.01 0.00 1.08 0.00 0.00 40.66 43.17 1ysm h LEU 27 CO -0.00 -0.28 -0.37 -0.09 -1.08 0.00 0.00 178.44 176.62 1ysm h ARG 28 N -0.14 -1.00 0.04 1.13 9.65 -1.09 0.15 114.38 123.12 1ysm h ARG 28 Ca 0.24 0.07 0.03 0.00 -1.10 0.00 0.00 59.98 59.21 1ysm h ARG 28 Cb 0.52 0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 29.28 1ysm h ARG 28 CO -0.63 -0.66 -0.35 -0.44 2.80 0.00 0.00 179.97 180.69 1ysm h ASP 29 N -1.09 -1.04 0.39 -3.80 5.19 -1.60 0.15 116.42 114.62 1ysm h ASP 29 Ca -0.11 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1ysm h ASP 29 Cb 0.81 0.41 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1ysm h ASP 29 CO 0.17 -0.42 -0.24 0.74 -3.12 0.00 0.00 179.24 176.38 1ysm h THR 30 N -0.53 0.51 0.29 0.35 2.02 -0.68 -0.45 112.91 114.42 1ysm h THR 30 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1ysm h THR 30 Cb 0.60 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1ysm h THR 30 CO -0.26 0.00 -0.35 0.25 0.37 0.00 0.00 175.52 175.53 1ysm h LEU 31 N -0.60 -0.98 0.24 2.58 7.12 -0.54 0.12 115.31 123.26 1ysm h LEU 31 Ca -0.04 0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.07 1ysm h LEU 31 Cb 0.49 0.34 -0.03 0.00 -0.53 0.00 0.00 40.66 40.93 1ysm h LEU 31 CO 0.05 -0.48 -0.36 0.74 -0.13 0.00 0.00 178.44 178.26 1ysm h THR 32 N -0.69 0.25 0.25 1.05 2.02 -0.87 0.13 112.91 115.06 1ysm h THR 32 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ysm h THR 32 Cb 0.65 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1ysm h THR 32 CO -0.10 0.00 -0.12 0.28 0.37 0.00 0.00 175.52 175.95 1ysm h SER 33 N -0.67 -0.29 -0.31 4.18 0.02 -0.97 -1.43 113.55 114.09 1ysm h SER 33 Ca 0.00 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 1ysm h SER 33 Cb 0.65 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1ysm h SER 33 CO -0.14 -0.14 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.19 1ysm h GLU 34 N -0.42 0.64 -0.24 3.45 4.81 -0.67 -0.54 114.58 121.61 1ysm h GLU 34 Ca -0.03 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1ysm h GLU 34 Cb 0.32 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1ysm h GLU 34 CO 0.06 0.86 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.87 1ysm h LYS 35 N 0.39 -0.06 -0.04 1.92 3.64 -0.74 0.15 116.57 121.84 1ysm h LYS 35 Ca 0.07 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1ysm h LYS 35 Cb 0.66 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 1ysm h LYS 35 CO 0.04 -0.04 -0.24 0.77 -2.27 0.00 0.00 179.45 177.71 1ysm h SER 36 N -0.06 -0.72 -0.04 4.20 0.02 -0.94 0.06 113.55 116.06 1ysm h SER 36 Ca 0.13 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1ysm h SER 36 Cb 0.25 0.30 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1ysm h SER 36 CO -0.28 -0.30 -0.24 0.11 -1.14 0.00 0.00 176.83 174.97 1ysm h LYS 37 N -0.36 -0.34 -0.02 3.45 1.79 -0.65 0.11 116.57 120.55 1ysm h LYS 37 Ca 0.07 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1ysm h LYS 37 Cb 0.46 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 1ysm h LYS 37 CO -0.24 -0.23 -0.34 0.82 -1.08 0.00 0.00 179.45 178.38 1ysm h ILE 38 N -0.36 0.26 -0.50 1.86 2.04 -0.36 0.69 117.51 121.14 1ysm h ILE 38 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1ysm h ILE 38 Cb 0.46 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1ysm h ILE 38 CO -0.25 0.00 0.29 -0.33 0.00 0.00 0.00 178.15 177.86 1ysm h GLU 39 N -0.48 0.55 0.05 2.37 3.07 -0.80 0.10 114.58 119.44 1ysm h GLU 39 Ca 0.06 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1ysm h GLU 39 Cb 0.58 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1ysm h GLU 39 CO -0.29 0.36 -0.23 1.15 -1.40 0.00 0.00 179.01 178.60 1ysm h THR 40 N 0.57 0.47 0.15 1.13 2.02 -0.14 0.85 112.91 117.95 1ysm h THR 40 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1ysm h THR 40 Cb 0.04 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1ysm h THR 40 CO -0.10 0.00 -0.07 -0.33 0.37 0.00 0.00 175.52 175.38 1ysm h GLU 41 N -0.40 -0.19 -0.46 6.66 4.39 -0.63 0.76 114.58 124.70 1ysm h GLU 41 Ca 0.05 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.85 1ysm h GLU 41 Cb 0.45 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.05 1ysm h GLU 41 CO -0.18 -0.03 -0.19 1.25 -1.16 0.00 0.00 179.01 178.70 1ysm h LEU 42 N -0.32 -0.67 0.45 1.33 5.85 -0.64 -0.05 115.31 121.26 1ysm h LEU 42 Ca -0.02 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1ysm h LEU 42 Cb 0.25 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ysm h LEU 42 CO 0.03 -0.22 -0.27 0.50 -0.34 0.00 0.00 178.44 178.14 1ysm h LYS 43 N -0.09 -0.65 -0.67 1.25 1.63 -0.71 -3.16 116.57 114.17 1ysm h LYS 43 Ca 0.22 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.19 1ysm h LYS 43 Cb 0.43 0.15 -0.13 0.00 -0.60 0.00 0.00 32.23 32.09 1ysm h LYS 43 CO -0.52 -0.44 -0.30 -0.97 -3.45 0.00 0.00 179.45 173.77 1ysm h ASN 44 N -0.68 -1.06 -0.16 4.20 -0.73 0.22 0.58 115.58 117.96 1ysm h ASN 44 Ca -0.05 0.23 0.05 0.00 1.87 0.00 0.00 56.30 58.40 1ysm h ASN 44 Cb 0.55 0.56 -0.01 0.00 0.27 0.00 0.00 38.32 39.70 1ysm h ASN 44 CO 0.06 -0.29 0.20 0.11 -0.37 0.00 0.00 177.43 177.14 1ysm h LYS 45 N -0.11 0.00 -0.58 6.67 1.79 -1.01 -0.22 116.57 123.11 1ysm h LYS 45 Ca 0.28 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.69 1ysm h LYS 45 Cb 0.55 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 1ysm h LYS 45 CO -0.73 0.00 0.13 0.52 -1.08 0.00 0.00 179.45 178.29 1ysm h MET 46 N 0.00 0.90 -1.70 3.15 2.86 -0.90 -3.39 114.93 115.85 1ysm h MET 46 Ca 0.08 -0.20 -0.28 0.00 -2.06 0.00 0.00 59.70 57.24 1ysm h MET 46 Cb 0.48 -0.13 -0.28 0.00 0.06 0.00 0.00 31.60 31.73 1ysm h MET 46 CO -0.00 0.81 -0.62 1.14 1.06 0.00 0.00 176.91 179.31 1ysm s GLN 47 N -5.22 0.67 0.19 1.72 0.00 -0.15 -5.13 119.66 111.74 1ysm s GLN 47 Ca -0.10 -0.64 -0.33 0.00 -0.00 0.00 0.00 55.36 54.29 1ysm s GLN 47 Cb 0.15 -0.49 -0.13 0.00 0.00 0.00 0.00 33.01 32.54 1ysm s GLN 47 CO 0.81 -1.18 1.57 1.04 0.00 0.00 0.00 175.29 177.53 1ysm n GLN 48 N 4.37 2.27 -3.82 9.60 3.00 -0.87 -4.75 117.38 127.17 1ysm n GLN 48 Ca 0.10 0.82 -0.12 0.00 -0.01 0.00 0.00 57.00 57.79 1ysm n GLN 48 Cb 0.48 -2.58 -0.10 0.00 0.00 0.00 0.00 30.24 28.04 1ysm n GLN 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1ysm s LYS 49 N 0.59 0.46 0.18 -1.09 -2.85 -1.26 -5.08 119.74 110.69 1ysm s LYS 49 Ca 0.75 -0.11 -0.13 0.00 -1.00 0.00 0.00 55.97 55.48 1ysm s LYS 49 Cb -0.63 0.20 0.09 0.00 -2.06 0.00 0.00 37.83 35.43 1ysm s LYS 49 CO 0.40 -0.10 1.83 0.77 0.10 0.00 0.00 175.35 178.35 1ysm h SER 50 N 4.68 0.71 -5.17 0.03 0.02 -1.95 -3.47 113.55 108.40 1ysm h SER 50 Ca -0.29 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 1ysm h SER 50 Cb 1.19 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1ysm h SER 50 CO 0.39 0.54 0.13 0.00 -1.14 0.00 0.00 176.83 176.75 1ysm s GLN 51 N -6.06 2.15 -1.22 3.45 -2.07 -1.26 -5.06 119.66 109.59 1ysm s GLN 51 Ca -0.13 -1.55 -0.15 0.00 -1.82 0.00 0.00 55.36 51.71 1ysm s GLN 51 Cb 0.13 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.57 1ysm s GLN 51 CO 0.76 -0.98 2.22 1.17 -1.32 0.00 0.00 175.29 177.15 1ysm n LYS 52 N -0.55 2.48 -4.23 9.60 4.81 -1.26 -4.82 118.16 124.19 1ysm n LYS 52 Ca -0.06 -2.20 -0.15 0.00 -0.87 0.00 0.00 58.31 55.03 1ysm n LYS 52 Cb 0.60 -3.03 -0.10 0.00 0.02 0.00 0.00 35.03 32.52 1ysm n LYS 52 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ysm s LYS 53 N 3.63 1.00 -0.95 1.64 -0.14 -1.26 -5.05 119.74 118.62 1ysm s LYS 53 Ca 0.52 -1.33 -0.13 0.00 -1.36 0.00 0.00 55.97 53.68 1ysm s LYS 53 Cb 0.14 -0.68 -0.09 0.00 -1.68 0.00 0.00 37.83 35.53 1ysm s LYS 53 CO -0.02 0.10 2.10 -0.35 -0.76 0.00 0.00 175.35 176.43 1ysm n PRO 54 N 0.16 2.03 0.00 -1.68 -0.04 -1.26 -5.01 135.00 129.20 1ysm n PRO 54 Ca -0.13 -1.74 0.07 0.00 -0.04 0.00 0.00 63.50 61.67 1ysm n PRO 54 Cb 0.59 -2.71 0.43 0.00 -0.04 0.00 0.00 33.50 31.77 1ysm n PRO 54 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85