#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1few h LEU 13 N 0.00 0.43 -0.93 2.46 -0.00 -2.06 -2.68 115.31 112.54 1few h LEU 13 Ca 0.00 -0.11 -0.11 0.00 -0.00 0.00 0.00 57.88 57.66 1few h LEU 13 Cb 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 1few h LEU 13 CO 0.00 0.42 -0.53 0.77 -0.00 0.00 0.00 178.44 179.10 1few h SER 14 N 0.42 0.02 -0.33 -0.43 4.64 -2.06 -2.39 113.55 113.43 1few h SER 14 Ca 0.12 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1few h SER 14 Cb 0.09 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1few h SER 14 CO -0.02 0.55 0.01 0.28 -0.87 0.00 0.00 176.83 176.78 1few h SER 15 N 0.02 0.56 0.37 4.97 0.02 -1.96 -1.80 113.55 115.72 1few h SER 15 Ca -0.00 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.55 1few h SER 15 Cb 0.94 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1few h SER 15 CO 0.07 0.72 -0.45 1.05 -1.14 0.00 0.00 176.83 177.08 1few h GLU 16 N 0.38 0.10 -0.47 3.45 4.11 -1.44 -1.56 114.58 119.14 1few h GLU 16 Ca 0.09 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.42 1few h GLU 16 Cb 0.42 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1few h GLU 16 CO 0.01 0.53 0.08 0.00 0.07 0.00 0.00 179.01 179.71 1few h ALA 17 N 1.47 0.63 -0.63 1.06 0.00 -1.22 -0.79 119.26 119.78 1few h ALA 17 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1few h ALA 17 Cb 0.83 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1few h ALA 17 CO 0.06 0.35 0.08 -0.07 0.00 0.00 0.00 179.25 179.67 1few h LEU 18 N 0.65 1.01 -0.82 0.00 4.07 -0.97 -0.47 115.31 118.78 1few h LEU 18 Ca 0.14 -0.25 -0.09 0.00 0.08 0.00 0.00 57.88 57.77 1few h LEU 18 Cb 0.38 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1few h LEU 18 CO 0.01 1.02 -0.09 0.24 -1.08 0.00 0.00 178.44 178.54 1few h MET 19 N 0.98 0.79 -0.49 1.13 2.86 -1.06 -0.38 114.93 118.76 1few h MET 19 Ca 0.19 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1few h MET 19 Cb 0.46 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1few h MET 19 CO 0.02 0.85 0.07 0.00 1.06 0.00 0.00 176.91 178.91 1few h ARG 20 N 0.72 0.83 -0.35 1.72 3.08 -0.79 -1.47 114.38 118.12 1few h ARG 20 Ca 0.13 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1few h ARG 20 Cb 0.57 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1few h ARG 20 CO 0.03 0.83 0.11 -0.09 -1.07 0.00 0.00 179.97 179.79 1few h ARG 21 N 0.70 0.54 -0.80 0.04 9.65 -0.75 -0.88 114.38 122.88 1few h ARG 21 Ca 0.15 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1few h ARG 21 Cb 0.42 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 1few h ARG 21 CO 0.01 0.57 0.52 0.00 2.80 0.00 0.00 179.97 183.87 1few h ALA 22 N 0.95 1.02 -0.22 2.80 0.00 -0.96 -2.25 119.26 120.60 1few h ALA 22 Ca 0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1few h ALA 22 Cb 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1few h ALA 22 CO -0.00 0.44 -0.41 0.28 0.00 0.00 0.00 179.25 179.56 1few h VAL 23 N 1.09 1.30 0.00 0.00 2.07 -1.10 -2.53 116.25 117.08 1few h VAL 23 Ca 0.29 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1few h VAL 23 Cb -0.11 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1few h VAL 23 CO -0.06 0.49 -0.14 0.77 0.02 0.00 0.00 177.57 178.65 1few h SER 24 N 0.42 0.00 0.41 0.57 4.64 -0.66 0.11 113.55 119.04 1few h SER 24 Ca 0.04 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.14 1few h SER 24 Cb 0.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1few h SER 24 CO 0.08 0.14 -0.91 -0.07 -0.87 0.00 0.00 176.83 175.20 1few h LEU 25 N 0.00 0.44 -0.22 5.97 3.38 -1.01 -2.06 115.31 121.81 1few h LEU 25 Ca -0.00 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 1few h LEU 25 Cb 0.42 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1few h LEU 25 CO 0.02 1.14 -0.26 0.58 0.09 0.00 0.00 178.44 180.01 1few h VAL 26 N 0.19 1.33 -0.53 1.22 2.07 -0.96 -2.40 116.25 117.17 1few h VAL 26 Ca -0.06 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1few h VAL 26 Cb 1.54 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 1few h VAL 26 CO 0.15 0.45 0.33 0.74 0.02 0.00 0.00 177.57 179.25 1few h THR 27 N 0.24 1.15 0.10 2.57 2.02 -0.83 0.72 112.91 118.89 1few h THR 27 Ca 0.03 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1few h THR 27 Cb 0.83 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1few h THR 27 CO 0.06 0.15 -0.05 -0.78 0.37 0.00 0.00 175.52 175.28 1few h ASP 28 N 0.71 -0.12 -0.37 4.18 3.58 -1.36 -0.02 116.42 123.02 1few h ASP 28 Ca 0.19 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 1few h ASP 28 Cb -0.03 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1few h ASP 28 CO -0.04 -0.08 -0.07 0.77 -2.88 0.00 0.00 179.24 176.94 1few h SER 29 N -0.15 0.77 0.36 2.28 4.64 -1.26 -2.70 113.55 117.49 1few h SER 29 Ca -0.01 -0.22 -0.17 0.00 -0.47 0.00 0.00 61.79 60.91 1few h SER 29 Cb 0.12 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1few h SER 29 CO 0.02 0.89 -0.72 0.71 -0.87 0.00 0.00 176.83 176.86 1few h THR 30 N 0.72 1.40 -0.62 2.95 1.35 -0.69 -2.38 112.91 115.65 1few h THR 30 Ca 0.13 -2.18 -0.07 0.00 -0.55 0.00 0.00 66.41 63.74 1few h THR 30 Cb 0.55 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 69.08 1few h THR 30 CO 0.03 0.65 0.13 0.28 -0.25 0.00 0.00 175.52 176.36 1few h SER 31 N 0.21 0.96 -0.43 5.36 0.02 -0.89 -0.96 113.55 117.82 1few h SER 31 Ca -0.02 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1few h SER 31 Cb 1.28 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1few h SER 31 CO 0.12 0.95 0.00 0.74 -1.14 0.00 0.00 176.83 177.50 1few h THR 32 N 0.92 1.26 -0.52 -2.27 2.02 -1.46 -0.74 112.91 112.12 1few h THR 32 Ca 0.19 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 1few h THR 32 Cb 0.38 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1few h THR 32 CO 0.01 0.35 0.06 0.15 0.37 0.00 0.00 175.52 176.45 1few h PHE 33 N 0.59 0.89 -0.18 3.16 -0.00 -1.26 -1.32 116.94 118.82 1few h PHE 33 Ca 0.12 -0.11 -0.04 0.00 -0.00 0.00 0.00 57.97 57.94 1few h PHE 33 Cb 0.48 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 36.18 1few h PHE 33 CO 0.04 0.79 -0.03 1.25 -0.00 0.00 0.00 178.31 180.36 1few h LEU 34 N 0.80 0.34 -0.52 0.59 5.85 -0.97 -1.51 115.31 119.89 1few h LEU 34 Ca 0.16 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1few h LEU 34 Cb 0.40 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1few h LEU 34 CO 0.01 0.61 0.31 0.28 -0.34 0.00 0.00 178.44 179.31 1few h SER 35 N 0.07 0.49 0.14 1.25 0.02 -0.95 0.10 113.55 114.67 1few h SER 35 Ca 0.05 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1few h SER 35 Cb 0.45 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1few h SER 35 CO 0.01 0.34 -0.07 -0.61 -1.14 0.00 0.00 176.83 175.37 1few h GLN 36 N 0.61 -0.18 -0.08 3.45 4.15 -1.17 -1.90 115.11 119.99 1few h GLN 36 Ca 0.21 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.56 1few h GLN 36 Cb 0.04 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1few h GLN 36 CO -0.10 -0.10 -0.35 1.15 -1.93 0.00 0.00 178.83 177.50 1few h THR 37 N -0.22 1.28 0.19 2.39 2.02 -1.12 -1.71 112.91 115.74 1few h THR 37 Ca -0.02 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 1few h THR 37 Cb 0.17 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1few h THR 37 CO 0.03 0.39 -0.09 0.74 0.37 0.00 0.00 175.52 176.96 1few h THR 38 N 0.14 0.87 -0.74 3.16 2.02 -0.56 0.02 112.91 117.82 1few h THR 38 Ca 0.02 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 1few h THR 38 Cb 0.69 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1few h THR 38 CO 0.05 0.07 0.30 0.22 0.37 0.00 0.00 175.52 176.53 1few h TYR 39 N -0.41 1.12 -0.67 3.16 5.03 -1.22 -0.06 116.97 123.92 1few h TYR 39 Ca -0.03 -0.08 -0.06 0.00 2.58 0.00 0.00 58.73 61.15 1few h TYR 39 Cb 0.31 -0.34 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 1few h TYR 39 CO -0.02 0.85 0.20 0.00 -1.32 0.00 0.00 178.16 177.87 1few h ALA 40 N 1.25 0.88 -0.45 1.82 0.00 -1.19 -1.36 119.26 120.21 1few h ALA 40 Ca 0.25 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1few h ALA 40 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1few h ALA 40 CO -0.02 0.57 -0.13 1.25 0.00 0.00 0.00 179.25 180.92 1few h LEU 41 N 0.99 0.90 -0.69 0.00 5.85 -0.52 -1.59 115.31 120.26 1few h LEU 41 Ca 0.22 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1few h LEU 41 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1few h LEU 41 CO -0.00 1.07 0.25 0.40 -0.34 0.00 0.00 178.44 179.81 1few h ILE 42 N 0.73 1.25 -0.37 4.05 2.04 -0.86 -1.01 117.51 123.34 1few h ILE 42 Ca 0.11 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1few h ILE 42 Cb 0.68 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1few h ILE 42 CO 0.05 0.32 0.21 -0.08 0.00 0.00 0.00 178.15 178.65 1few h GLU 43 N 0.99 0.51 -0.72 2.37 4.81 -1.14 -1.29 114.58 120.11 1few h GLU 43 Ca 0.23 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1few h GLU 43 Cb 0.25 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1few h GLU 43 CO -0.01 0.40 0.29 0.00 -0.73 0.00 0.00 179.01 178.96 1few h ALA 44 N 1.08 0.94 -0.55 2.92 0.00 -0.88 -1.30 119.26 121.46 1few h ALA 44 Ca 0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1few h ALA 44 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1few h ALA 44 CO -0.02 0.55 -0.02 0.82 0.00 0.00 0.00 179.25 180.57 1few h ILE 45 N 1.03 1.26 -0.59 0.00 2.04 -0.95 -1.00 117.51 119.30 1few h ILE 45 Ca 0.24 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 1few h ILE 45 Cb 0.20 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1few h ILE 45 CO -0.02 0.41 0.07 0.74 0.00 0.00 0.00 178.15 179.35 1few h THR 46 N 0.89 1.25 -0.65 -0.27 2.02 -0.94 0.31 112.91 115.52 1few h THR 46 Ca 0.16 -1.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1few h THR 46 Cb 0.55 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1few h THR 46 CO 0.03 0.37 0.07 -0.08 0.37 0.00 0.00 175.52 176.28 1few h GLU 47 N 0.91 1.09 -0.29 6.66 4.57 -0.96 -1.86 114.58 124.70 1few h GLU 47 Ca 0.18 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1few h GLU 47 Cb 0.43 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1few h GLU 47 CO 0.01 1.02 0.06 -0.92 -1.18 0.00 0.00 179.01 178.01 1few h TYR 48 N 1.01 0.51 -0.91 0.92 3.20 -0.54 -2.67 116.97 118.49 1few h TYR 48 Ca 0.19 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1few h TYR 48 Cb 0.49 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1few h TYR 48 CO 0.04 0.56 0.60 1.15 -1.64 0.00 0.00 178.16 178.86 1few h THR 49 N 0.31 1.15 -0.38 1.81 2.02 -0.15 -1.82 112.91 115.85 1few h THR 49 Ca 0.09 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1few h THR 49 Cb 0.31 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1few h THR 49 CO 0.00 0.21 0.15 0.50 0.37 0.00 0.00 175.52 176.75 1few h LYS 50 N 1.14 0.57 -0.15 6.66 3.64 -1.25 -2.01 116.57 125.18 1few h LYS 50 Ca 0.36 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1few h LYS 50 Cb 0.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1few h LYS 50 CO -0.11 0.55 0.10 0.00 -2.27 0.00 0.00 179.45 177.71 1few h ALA 51 N 1.00 1.90 -0.08 5.00 0.00 -1.01 -0.31 119.26 125.76 1few h ALA 51 Ca 0.13 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1few h ALA 51 Cb 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1few h ALA 51 CO -0.01 0.09 -0.86 0.28 0.00 0.00 0.00 179.25 178.75 1few h VAL 52 N 0.19 1.29 -0.64 0.00 2.07 -1.03 -1.99 116.25 116.14 1few h VAL 52 Ca 0.05 -2.08 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1few h VAL 52 Cb -0.01 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1few h VAL 52 CO -0.01 0.65 0.26 1.88 0.02 0.00 0.00 177.57 180.37 1few h TYR 53 N 0.42 0.97 0.09 1.57 0.05 -0.77 0.15 116.97 119.45 1few h TYR 53 Ca -0.08 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 1few h TYR 53 Cb 1.51 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1few h TYR 53 CO 0.10 0.76 -0.04 1.15 -1.05 0.00 0.00 178.16 179.08 1few h THR 54 N 0.90 0.95 -0.30 -2.88 2.02 -1.04 -2.45 112.91 110.12 1few h THR 54 Ca 0.21 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1few h THR 54 Cb 0.20 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1few h THR 54 CO -0.02 0.03 0.18 0.25 0.37 0.00 0.00 175.52 176.33 1few h LEU 55 N -0.18 0.35 -0.20 2.58 5.85 -1.18 -2.79 115.31 119.74 1few h LEU 55 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1few h LEU 55 Cb 0.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1few h LEU 55 CO 0.02 0.27 0.10 0.74 -0.34 0.00 0.00 178.44 179.23 1few h THR 56 N 0.41 1.13 -0.02 1.05 2.02 -0.51 -2.29 112.91 114.69 1few h THR 56 Ca 0.11 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1few h THR 56 Cb -0.01 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1few h THR 56 CO -0.02 0.13 -0.33 0.77 0.37 0.00 0.00 175.52 176.44 1few h SER 57 N 0.20 0.04 -0.57 4.18 4.64 -1.21 -2.21 113.55 118.62 1few h SER 57 Ca 0.07 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1few h SER 57 Cb 0.12 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1few h SER 57 CO -0.01 0.37 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.18 1few h LEU 58 N 0.04 1.04 -0.83 5.97 4.07 -1.31 -1.47 115.31 122.82 1few h LEU 58 Ca 0.00 -0.33 -0.07 0.00 0.08 0.00 0.00 57.88 57.57 1few h LEU 58 Cb 0.60 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 1few h LEU 58 CO 0.04 1.13 0.13 1.88 -1.08 0.00 0.00 178.44 180.54 1few h TYR 59 N 0.94 1.05 -0.63 1.13 -1.99 -0.97 -1.17 116.97 115.33 1few h TYR 59 Ca 0.15 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 1few h TYR 59 Cb 0.64 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 39.04 1few h TYR 59 CO 0.04 0.87 0.23 0.00 -0.00 0.00 0.00 178.16 179.31 1few h ARG 60 N 0.95 0.94 -0.28 4.88 3.08 -1.09 -0.31 114.38 122.56 1few h ARG 60 Ca 0.20 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 1few h ARG 60 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1few h ARG 60 CO 0.00 0.79 -0.13 1.96 -1.07 0.00 0.00 179.97 181.52 1few h GLN 61 N 0.92 0.58 -0.45 0.04 4.20 -0.82 -1.49 115.11 118.08 1few h GLN 61 Ca 0.21 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1few h GLN 61 Cb 0.22 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1few h GLN 61 CO -0.01 0.82 0.25 -0.92 -0.67 0.00 0.00 178.83 178.29 1few h TYR 62 N 0.32 0.63 -0.37 2.96 3.20 -1.00 -2.55 116.97 120.15 1few h TYR 62 Ca 0.06 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1few h TYR 62 Cb 0.64 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1few h TYR 62 CO 0.06 0.48 0.06 1.15 -1.64 0.00 0.00 178.16 178.27 1few h THR 63 N 0.60 1.18 0.00 1.81 2.02 -0.97 -1.34 112.91 116.21 1few h THR 63 Ca 0.16 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1few h THR 63 Cb 0.06 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1few h THR 63 CO -0.03 0.24 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 1few n SER 64 N -4.32 0.69 -0.00 4.18 3.41 -0.57 -2.42 113.62 114.59 1few n SER 64 Ca 0.02 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1few n SER 64 Cb 0.21 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.24 1few n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1few n LEU 65 N -2.24 0.88 -4.51 1.04 4.77 -0.57 -5.03 117.00 111.33 1few n LEU 65 Ca 0.03 -0.49 -0.34 0.00 -0.03 0.00 0.00 56.01 55.17 1few n LEU 65 Cb 0.26 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1few n LEU 65 CO 0.21 0.22 0.19 0.18 -1.33 0.00 0.00 177.39 176.86 1few n LEU 66 N -1.45 1.40 0.00 2.23 4.77 -0.78 -3.63 117.00 119.53 1few n LEU 66 Ca 0.03 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1few n LEU 66 Cb 0.30 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1few n LEU 66 CO 0.38 -2.93 0.00 0.61 -1.33 0.00 0.00 177.39 174.13 1few n GLY 67 N 1.32 1.72 0.00 -0.72 0.00 -1.26 -4.88 105.19 101.37 1few n GLY 67 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1few n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1few n LYS 68 N 0.00 0.00 0.00 1.61 5.02 -1.24 -5.07 118.16 118.48 1few n LYS 68 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1few n LYS 68 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1few n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1few n MET 69 N 0.00 0.00 -1.27 1.97 0.00 -1.26 -3.59 117.12 112.97 1few n MET 69 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1few n MET 69 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1few n MET 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1few n ASN 70 N 1.73 3.19 0.30 3.17 3.02 -1.26 -4.74 115.26 120.67 1few n ASN 70 Ca 0.00 -2.69 0.16 0.00 -0.03 0.00 0.00 54.58 52.02 1few n ASN 70 Cb 0.00 -1.26 0.83 0.00 -0.61 0.00 0.00 39.78 38.74 1few n ASN 70 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1few h SER 71 N 7.22 0.00 0.03 6.41 0.87 -1.96 -2.07 113.55 124.05 1few h SER 71 Ca 0.48 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1few h SER 71 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1few h SER 71 CO 1.90 0.00 -0.01 1.05 -0.53 0.00 0.00 176.83 179.24 1few h GLU 72 N 0.00 -0.03 -0.30 2.24 4.11 -1.92 -2.99 114.58 115.68 1few h GLU 72 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.48 1few h GLU 72 Cb 0.67 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1few h GLU 72 CO -0.00 0.54 0.16 0.93 0.07 0.00 0.00 179.01 180.71 1few h GLU 73 N -0.97 0.33 -0.45 1.06 4.39 -1.90 -1.24 114.58 115.80 1few h GLU 73 Ca -0.00 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.77 1few h GLU 73 Cb 0.59 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.08 1few h GLU 73 CO 0.01 0.22 -0.15 1.49 -1.16 0.00 0.00 179.01 179.41 1few h GLU 74 N 0.34 -0.05 0.00 2.33 4.81 -1.52 0.33 114.58 120.82 1few h GLU 74 Ca 0.12 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1few h GLU 74 Cb 0.02 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1few h GLU 74 CO -0.07 -0.03 -0.61 -0.44 -0.73 0.00 0.00 179.01 177.12 1few h ASP 75 N -0.05 0.00 -0.16 1.04 3.32 -1.35 -0.91 116.42 118.31 1few h ASP 75 Ca 0.22 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1few h ASP 75 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1few h ASP 75 CO -0.49 0.61 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.04 1few h GLU 76 N 0.00 0.46 -0.72 3.56 4.39 -0.23 -0.44 114.58 121.60 1few h GLU 76 Ca -0.01 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1few h GLU 76 Cb 1.11 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 1few h GLU 76 CO 0.08 0.89 0.40 0.28 -1.16 0.00 0.00 179.01 179.50 1few h VAL 77 N 0.09 1.22 -0.12 3.13 2.07 -0.30 -0.91 116.25 121.42 1few h VAL 77 Ca 0.01 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1few h VAL 77 Cb 0.86 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1few h VAL 77 CO 0.06 0.24 -0.26 -0.25 0.02 0.00 0.00 177.57 177.38 1few h TRP 78 N 1.00 0.24 -0.43 1.57 2.91 -1.07 -1.00 115.95 119.16 1few h TRP 78 Ca 0.26 -0.04 -0.07 0.00 1.13 0.00 0.00 58.89 60.16 1few h TRP 78 Cb 0.03 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 1few h TRP 78 CO -0.00 0.47 -0.00 0.37 -1.03 0.00 0.00 178.44 178.24 1few h GLN 79 N 0.20 0.76 -0.42 2.65 5.75 -0.25 -2.10 115.11 121.70 1few h GLN 79 Ca 0.03 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.22 1few h GLN 79 Cb 0.58 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1few h GLN 79 CO 0.04 0.83 -0.02 0.28 -2.65 0.00 0.00 178.83 177.32 1few h VAL 80 N 0.60 1.23 -0.58 2.39 2.07 -0.79 -2.56 116.25 118.61 1few h VAL 80 Ca 0.12 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1few h VAL 80 Cb 0.49 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1few h VAL 80 CO 0.02 0.33 0.35 0.40 0.02 0.00 0.00 177.57 178.69 1few h ILE 81 N 0.65 1.18 -0.30 4.57 2.04 -0.90 0.17 117.51 124.92 1few h ILE 81 Ca 0.13 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1few h ILE 81 Cb 0.43 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1few h ILE 81 CO 0.02 0.18 -0.09 0.40 0.00 0.00 0.00 178.15 178.66 1few h ILE 82 N 0.79 0.67 -0.52 -0.67 1.08 -0.98 0.33 117.51 118.21 1few h ILE 82 Ca 0.21 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.61 1few h ILE 82 Cb -0.01 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1few h ILE 82 CO -0.04 0.00 0.03 1.23 -0.69 0.00 0.00 178.15 178.68 1few h GLY 83 N -0.02 0.92 1.81 5.37 0.00 -1.19 -2.44 103.07 107.52 1few h GLY 83 Ca 0.15 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1few h GLY 83 CO -0.32 0.56 -0.43 0.00 0.00 0.00 0.00 176.54 176.36 1few h ALA 84 N 1.23 1.11 -0.59 3.60 0.00 0.28 -1.46 119.26 123.43 1few h ALA 84 Ca 0.16 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1few h ALA 84 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1few h ALA 84 CO 0.02 0.59 0.11 0.00 0.00 0.00 0.00 179.25 179.98 1few h ARG 85 N 0.18 0.96 0.02 0.00 3.08 -0.07 -0.46 114.38 118.08 1few h ARG 85 Ca 0.01 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1few h ARG 85 Cb 0.83 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1few h ARG 85 CO 0.06 0.90 -0.05 0.00 -1.07 0.00 0.00 179.97 179.82 1few h ALA 86 N 1.02 -0.07 -0.90 0.04 0.00 -0.96 0.69 119.26 119.07 1few h ALA 86 Ca 0.18 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1few h ALA 86 Cb 0.39 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1few h ALA 86 CO 0.01 -0.55 0.59 1.49 0.00 0.00 0.00 179.25 180.79 1few h GLU 87 N -0.10 1.19 -0.62 0.00 4.81 -1.11 -0.91 114.58 117.85 1few h GLU 87 Ca 0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1few h GLU 87 Cb 0.11 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1few h GLU 87 CO -0.04 0.79 0.35 1.98 -0.73 0.00 0.00 179.01 181.36 1few h MET 88 N 1.23 0.85 -0.53 1.92 4.05 -0.64 -2.14 114.93 119.67 1few h MET 88 Ca 0.33 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 1few h MET 88 Cb -0.13 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.47 1few h MET 88 CO -0.07 0.64 0.17 1.15 0.23 0.00 0.00 176.91 179.03 1few h THR 89 N 0.84 1.23 -0.49 -0.77 2.02 -0.15 -1.61 112.91 113.99 1few h THR 89 Ca 0.22 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 1few h THR 89 Cb 0.03 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1few h THR 89 CO -0.04 0.28 -0.12 0.77 0.37 0.00 0.00 175.52 176.79 1few h SER 90 N 0.72 0.90 0.93 4.18 4.64 -1.03 -1.87 113.55 122.02 1few h SER 90 Ca 0.17 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1few h SER 90 Cb 0.26 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1few h SER 90 CO -0.01 1.03 -0.16 0.11 -0.87 0.00 0.00 176.83 176.93 1few h LYS 91 N 0.81 0.00 0.10 4.77 1.57 -1.27 -1.06 116.57 121.48 1few h LYS 91 Ca 0.13 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.63 1few h LYS 91 Cb 0.64 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.97 1few h LYS 91 CO 0.04 0.16 -1.18 1.25 -0.57 0.00 0.00 179.45 179.16 1few h HIS 92 N 0.00 0.82 -0.17 -1.35 2.76 -0.86 -2.62 115.15 113.73 1few h HIS 92 Ca -0.00 -0.51 -0.15 0.00 -2.20 0.00 0.00 60.37 57.50 1few h HIS 92 Cb 0.67 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1few h HIS 92 CO 0.00 1.36 -0.53 1.96 -1.30 0.00 0.00 177.93 179.43 1few h GLN 93 N 0.23 0.48 -0.33 5.26 4.20 -1.11 -1.56 115.11 122.28 1few h GLN 93 Ca -0.15 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1few h GLN 93 Cb 1.85 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.64 1few h GLN 93 CO 0.21 0.89 0.22 1.49 -0.67 0.00 0.00 178.83 180.97 1few h GLU 94 N 0.37 0.43 0.00 1.46 4.57 -1.21 -1.17 114.58 119.04 1few h GLU 94 Ca 0.01 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1few h GLU 94 Cb 1.05 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1few h GLU 94 CO 0.10 0.29 -0.46 0.10 -1.18 0.00 0.00 179.01 177.86 1few h TYR 95 N 0.44 0.00 -0.47 0.92 -0.00 -1.35 -2.28 116.97 114.23 1few h TYR 95 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.73 1few h TYR 95 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.67 1few h TYR 95 CO -0.05 0.46 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.30 1few h LEU 96 N 0.00 0.97 -0.50 0.10 3.38 -0.82 0.52 115.31 118.95 1few h LEU 96 Ca -0.00 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1few h LEU 96 Cb 0.91 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1few h LEU 96 CO 0.06 1.13 0.22 0.50 0.09 0.00 0.00 178.44 180.44 1few h LYS 97 N 0.83 0.74 0.00 1.13 1.63 -0.89 -1.82 116.57 118.18 1few h LYS 97 Ca 0.11 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 1few h LYS 97 Cb 0.76 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1few h LYS 97 CO 0.06 0.64 -0.43 -0.07 -3.45 0.00 0.00 179.45 176.19 1few h LEU 98 N 0.67 0.00 -0.73 5.20 3.38 -1.29 -2.80 115.31 119.74 1few h LEU 98 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1few h LEU 98 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1few h LEU 98 CO -0.02 0.43 -0.13 -0.08 0.09 0.00 0.00 178.44 178.74 1few h GLU 99 N 0.00 0.84 -0.04 1.13 4.57 -0.37 0.12 114.58 120.83 1few h GLU 99 Ca -0.00 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1few h GLU 99 Cb 0.98 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1few h GLU 99 CO 0.06 0.92 0.00 1.15 -1.18 0.00 0.00 179.01 179.96 1few h THR 100 N 0.75 1.23 -0.84 0.32 2.02 -1.21 -1.07 112.91 114.12 1few h THR 100 Ca 0.12 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1few h THR 100 Cb 0.63 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 1few h THR 100 CO 0.04 0.19 0.56 0.74 0.37 0.00 0.00 175.52 177.42 1few h THR 101 N -0.21 1.22 -0.81 3.16 2.02 -1.34 -2.17 112.91 114.77 1few h THR 101 Ca 0.01 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1few h THR 101 Cb 0.30 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1few h THR 101 CO 0.00 0.21 0.47 -0.25 0.37 0.00 0.00 175.52 176.32 1few h TRP 102 N 1.14 1.08 -0.81 3.16 7.01 -0.60 -1.12 115.95 125.80 1few h TRP 102 Ca 0.31 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.25 1few h TRP 102 Cb -0.13 -0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 26.54 1few h TRP 102 CO -0.01 0.73 0.34 0.52 -2.79 0.00 0.00 178.44 177.22 1few h MET 103 N 1.11 1.21 -0.45 2.65 2.86 -0.63 0.39 114.93 122.07 1few h MET 103 Ca 0.29 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1few h MET 103 Cb -0.02 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1few h MET 103 CO -0.05 0.97 0.22 1.15 1.06 0.00 0.00 176.91 180.25 1few h THR 104 N 1.18 1.18 -0.96 2.22 2.02 -0.94 -0.03 112.91 117.58 1few h THR 104 Ca 0.27 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1few h THR 104 Cb 0.20 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 1few h THR 104 CO -0.02 0.20 0.63 0.00 0.37 0.00 0.00 175.52 176.70 1few h ALA 105 N 1.06 1.36 -0.52 6.16 0.00 -0.56 0.70 119.26 127.47 1few h ALA 105 Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1few h ALA 105 Cb 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1few h ALA 105 CO -0.02 0.57 -0.05 0.28 0.00 0.00 0.00 179.25 180.03 1few h VAL 106 N 1.24 1.27 -0.58 0.00 2.07 -0.43 -1.93 116.25 117.89 1few h VAL 106 Ca 0.37 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1few h VAL 106 Cb -0.05 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1few h VAL 106 CO -0.10 0.41 0.21 1.23 0.02 0.00 0.00 177.57 179.33 1few h GLY 107 N 0.81 0.95 0.82 2.17 0.00 -0.07 -1.28 103.07 106.48 1few h GLY 107 Ca 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.96 1few h GLY 107 CO 0.04 0.51 0.21 1.41 0.00 0.00 0.00 176.54 178.71 1few h LEU 108 N 0.81 0.32 -0.62 3.11 3.38 -0.70 -0.64 115.31 120.97 1few h LEU 108 Ca 0.19 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1few h LEU 108 Cb 0.24 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1few h LEU 108 CO -0.01 0.23 0.06 0.28 0.09 0.00 0.00 178.44 179.10 1few h SER 109 N 0.43 1.02 -0.66 -0.43 0.02 -1.16 -0.67 113.55 112.10 1few h SER 109 Ca 0.17 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1few h SER 109 Cb 0.06 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1few h SER 109 CO -0.11 1.05 0.12 -0.33 -1.14 0.00 0.00 176.83 176.42 1few h GLU 110 N 0.97 1.09 0.00 3.45 5.08 -0.93 0.51 114.58 124.75 1few h GLU 110 Ca 0.18 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1few h GLU 110 Cb 0.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1few h GLU 110 CO 0.02 0.99 -0.40 0.52 -1.00 0.00 0.00 179.01 179.14 1few h MET 111 N 1.03 0.00 -0.28 2.33 2.86 -0.94 -0.92 114.93 119.01 1few h MET 111 Ca 0.21 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.66 1few h MET 111 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1few h MET 111 CO 0.01 0.40 -0.56 0.00 1.06 0.00 0.00 176.91 177.83 1few h ALA 112 N 1.60 0.48 -0.61 6.32 0.00 -0.58 -0.29 119.26 126.18 1few h ALA 112 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1few h ALA 112 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1few h ALA 112 CO 0.05 0.68 -0.00 0.00 0.00 0.00 0.00 179.25 179.98 1few h ALA 113 N 0.71 0.83 -0.28 0.00 0.00 -0.45 -0.45 119.26 119.61 1few h ALA 113 Ca 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1few h ALA 113 Cb 1.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1few h ALA 113 CO 0.12 0.67 0.09 1.49 0.00 0.00 0.00 179.25 181.62 1few h GLU 114 N 0.98 0.44 -0.61 0.00 4.57 -1.04 -1.91 114.58 117.02 1few h GLU 114 Ca 0.17 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1few h GLU 114 Cb 0.57 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1few h GLU 114 CO 0.03 0.50 0.40 0.00 -1.18 0.00 0.00 179.01 178.77 1few h ALA 115 N 0.92 0.77 -1.00 2.92 0.00 -0.86 -0.16 119.26 121.84 1few h ALA 115 Ca 0.09 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1few h ALA 115 Cb 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1few h ALA 115 CO -0.00 0.20 0.64 0.00 0.00 0.00 0.00 179.25 180.09 1few h ALA 116 N 1.22 1.44 -0.08 0.00 0.00 -0.87 -1.69 119.26 119.28 1few h ALA 116 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1few h ALA 116 Cb -0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1few h ALA 116 CO -0.05 0.39 -0.01 -0.92 0.00 0.00 0.00 179.25 178.67 1few h TYR 117 N 1.13 0.15 0.00 0.00 3.20 -0.50 0.44 116.97 121.40 1few h TYR 117 Ca 0.45 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.28 1few h TYR 117 Cb 0.24 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1few h TYR 117 CO -0.00 0.43 -0.05 1.96 -1.64 0.00 0.00 178.16 178.86 1few h GLN 118 N -0.16 0.00 -0.44 1.82 4.20 -0.56 -1.45 115.11 118.52 1few h GLN 118 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1few h GLN 118 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1few h GLN 118 CO 0.01 0.05 0.00 0.25 -0.67 0.00 0.00 178.83 178.46 1few n THR 119 N -4.16 0.58 -0.52 -0.54 -2.24 -0.68 -4.93 114.28 101.79 1few n THR 119 Ca -0.03 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1few n THR 119 Cb 0.13 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1few n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1few n GLY 120 N 1.37 0.78 2.14 3.38 0.00 -0.54 -4.74 105.19 107.58 1few n GLY 120 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1few n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1few n ALA 121 N -0.41 6.47 -0.38 4.61 0.00 0.15 -4.65 120.51 126.30 1few n ALA 121 Ca 0.00 -2.24 0.30 0.00 0.00 0.00 0.00 53.44 51.50 1few n ALA 121 Cb 0.00 -2.34 0.57 0.00 0.00 0.00 0.00 19.45 17.68 1few n ALA 121 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1few h ASP 122 N 3.13 0.36 0.30 0.00 3.32 -1.83 -1.53 116.42 120.17 1few h ASP 122 Ca 0.28 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1few h ASP 122 Cb 1.25 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1few h ASP 122 CO 0.48 -0.08 -0.14 1.56 -1.72 0.00 0.00 179.24 179.34 1few h GLN 123 N 0.23 -0.39 0.00 3.56 7.50 -1.93 -2.00 115.11 122.09 1few h GLN 123 Ca 0.72 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.90 1few h GLN 123 Cb 2.04 0.09 0.00 0.00 0.05 0.00 0.00 27.48 29.66 1few h GLN 123 CO -0.40 -0.26 0.22 0.00 -1.50 0.00 0.00 178.83 176.89 1few h ALA 124 N -1.80 1.18 0.00 3.87 0.00 -1.79 -1.45 119.26 119.27 1few h ALA 124 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1few h ALA 124 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1few h ALA 124 CO 0.07 -0.18 -0.00 1.03 0.00 0.00 0.00 179.25 180.17 1few h SER 125 N 0.00 -0.00 -0.54 0.00 0.87 -0.95 -2.78 113.55 110.14 1few h SER 125 Ca 0.00 -0.77 0.01 0.00 -1.23 0.00 0.00 61.79 59.80 1few h SER 125 Cb 0.45 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1few h SER 125 CO 0.00 0.88 0.35 0.40 -0.53 0.00 0.00 176.83 177.93 1few h ILE 126 N -0.99 1.12 -0.02 2.23 2.04 -0.56 0.14 117.51 121.47 1few h ILE 126 Ca -0.00 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1few h ILE 126 Cb 0.77 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1few h ILE 126 CO 0.00 0.13 -0.27 0.74 0.00 0.00 0.00 178.15 178.75 1few h THR 127 N 0.72 0.39 -0.86 -0.27 2.02 -1.45 -0.41 112.91 113.04 1few h THR 127 Ca 0.20 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.40 1few h THR 127 Cb -0.07 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 1few h THR 127 CO -0.05 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.41 1few h ALA 128 N 0.42 1.10 -0.95 6.16 0.00 -1.17 -2.03 119.26 122.79 1few h ALA 128 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1few h ALA 128 Cb 0.49 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1few h ALA 128 CO -0.25 0.48 0.63 -0.09 0.00 0.00 0.00 179.25 180.02 1few h ARG 129 N 1.15 1.21 -0.19 0.00 1.12 -0.19 -1.82 114.38 115.67 1few h ARG 129 Ca 0.32 -0.07 -0.16 0.00 -1.11 0.00 0.00 59.98 58.96 1few h ARG 129 Cb -0.11 -0.27 -0.01 0.00 -0.01 0.00 0.00 29.97 29.57 1few h ARG 129 CO -0.08 0.80 -0.53 -0.91 -3.11 0.00 0.00 179.97 176.14 1few h ASN 130 N 1.24 0.60 0.17 -3.80 -0.26 -0.42 -2.56 115.58 110.55 1few h ASN 130 Ca 0.37 -0.32 -0.15 0.00 -0.56 0.00 0.00 56.30 55.64 1few h ASN 130 Cb -0.06 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1few h ASN 130 CO -0.10 1.02 -0.54 -0.74 -1.06 0.00 0.00 177.43 176.01 1few h HIS 131 N 0.42 0.51 -0.50 1.19 2.76 -1.02 -2.46 115.15 116.05 1few h HIS 131 Ca 0.01 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 57.98 1few h HIS 131 Cb 1.07 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 1few h HIS 131 CO 0.04 0.86 0.22 0.82 -1.30 0.00 0.00 177.93 178.57 1few h ILE 132 N 0.31 1.20 0.03 6.26 2.04 -1.27 -1.73 117.51 124.35 1few h ILE 132 Ca 0.01 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1few h ILE 132 Cb 1.05 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1few h ILE 132 CO 0.09 0.23 -0.19 1.56 0.00 0.00 0.00 178.15 179.84 1few h GLN 133 N 0.66 -0.31 -0.55 2.37 1.08 -1.23 -0.98 115.11 116.16 1few h GLN 133 Ca 0.17 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1few h GLN 133 Cb 0.15 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 1few h GLN 133 CO -0.02 -0.21 0.30 -0.07 -0.95 0.00 0.00 178.83 177.88 1few h LEU 134 N -0.32 0.67 -0.67 1.46 -0.00 -1.29 -0.53 115.31 114.62 1few h LEU 134 Ca 0.05 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 1few h LEU 134 Cb 0.38 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 1few h LEU 134 CO -0.16 0.55 0.02 0.58 -0.00 0.00 0.00 178.44 179.43 1few h VAL 135 N 0.76 1.26 -0.29 1.22 2.07 -0.91 -0.93 116.25 119.43 1few h VAL 135 Ca 0.20 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1few h VAL 135 Cb 0.03 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1few h VAL 135 CO -0.03 0.41 0.02 0.11 0.02 0.00 0.00 177.57 178.09 1few h LYS 136 N 0.97 0.51 -0.68 1.57 1.57 -0.30 -1.15 116.57 119.06 1few h LYS 136 Ca 0.18 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1few h LYS 136 Cb 0.52 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1few h LYS 136 CO 0.03 0.64 0.42 1.25 -0.57 0.00 0.00 179.45 181.21 1few h LEU 137 N 0.31 0.67 -0.10 2.94 5.85 -0.97 0.11 115.31 124.12 1few h LEU 137 Ca 0.09 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1few h LEU 137 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1few h LEU 137 CO 0.01 0.46 0.05 -0.61 -0.34 0.00 0.00 178.44 178.01 1few h GLN 138 N 0.81 0.10 -0.58 1.25 4.15 -0.95 -1.61 115.11 118.28 1few h GLN 138 Ca 0.28 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.61 1few h GLN 138 Cb 0.05 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1few h GLN 138 CO -0.12 0.07 0.03 0.28 -1.93 0.00 0.00 178.83 177.16 1few h VAL 139 N 0.11 1.26 -0.40 2.39 2.07 -0.87 -2.68 116.25 118.12 1few h VAL 139 Ca 0.04 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1few h VAL 139 Cb 0.01 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1few h VAL 139 CO -0.03 0.39 0.15 -0.33 0.02 0.00 0.00 177.57 177.77 1few h GLU 140 N 0.91 0.56 -0.13 1.57 5.08 -0.69 -1.60 114.58 120.28 1few h GLU 140 Ca 0.17 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 1few h GLU 140 Cb 0.49 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1few h GLU 140 CO 0.02 0.47 -0.79 0.93 -1.00 0.00 0.00 179.01 178.65 1few h GLU 141 N 0.56 0.73 -0.02 2.33 5.08 -0.98 -1.23 114.58 121.05 1few h GLU 141 Ca 0.14 -0.61 -0.14 0.00 -1.00 0.00 0.00 59.36 57.75 1few h GLU 141 Cb 0.13 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1few h GLU 141 CO -0.01 1.22 -0.66 -0.39 -1.00 0.00 0.00 179.01 178.17 1few h VAL 142 N 0.49 1.45 -0.60 3.13 -1.51 -1.38 -2.27 116.25 115.56 1few h VAL 142 Ca -0.05 -2.20 -0.06 0.00 -1.23 0.00 0.00 66.70 63.16 1few h VAL 142 Cb 1.41 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 32.72 1few h VAL 142 CO 0.16 0.63 0.15 -0.74 -1.23 0.00 0.00 177.57 176.55 1few h HIS 143 N 0.05 1.00 -0.11 5.19 6.17 -1.23 -1.87 115.15 124.36 1few h HIS 143 Ca -0.01 -0.12 -0.07 0.00 0.71 0.00 0.00 60.37 60.89 1few h HIS 143 Cb 1.17 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 30.80 1few h HIS 143 CO 0.01 0.85 -0.23 0.37 0.71 0.00 0.00 177.93 179.63 1few h GLN 144 N 0.87 0.19 -0.37 5.26 5.75 -0.94 -0.07 115.11 125.81 1few h GLN 144 Ca 0.19 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 1few h GLN 144 Cb 0.34 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1few h GLN 144 CO 0.00 0.43 -0.20 -0.07 -2.65 0.00 0.00 178.83 176.33 1few h LEU 145 N 0.18 0.82 -0.66 -2.39 4.07 -0.95 -1.21 115.31 115.17 1few h LEU 145 Ca 0.03 -0.41 -0.04 0.00 0.08 0.00 0.00 57.88 57.53 1few h LEU 145 Cb 0.52 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1few h LEU 145 CO 0.04 1.05 0.25 -1.28 -1.08 0.00 0.00 178.44 177.42 1few h SER 146 N 0.59 0.93 -0.18 -0.43 0.87 -0.85 -1.60 113.55 112.87 1few h SER 146 Ca 0.08 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1few h SER 146 Cb 0.76 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1few h SER 146 CO 0.06 0.86 -0.02 -0.09 -0.53 0.00 0.00 176.83 177.11 1few h ARG 147 N 0.95 0.47 -0.65 2.24 2.43 -0.84 -0.30 114.38 118.67 1few h ARG 147 Ca 0.22 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1few h ARG 147 Cb 0.23 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1few h ARG 147 CO -0.01 0.51 0.08 -0.22 -1.51 0.00 0.00 179.97 178.82 1few h LYS 148 N 0.45 1.10 -0.55 0.20 3.11 -0.52 -1.57 116.57 118.79 1few h LYS 148 Ca 0.10 -0.31 -0.11 0.00 -2.81 0.00 0.00 60.65 57.52 1few h LYS 148 Cb 0.33 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.42 1few h LYS 148 CO 0.01 1.02 -0.08 0.00 -2.81 0.00 0.00 179.45 177.59 1few h ALA 149 N 1.05 0.75 -0.39 5.00 0.00 -0.54 -2.81 119.26 122.32 1few h ALA 149 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1few h ALA 149 Cb 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1few h ALA 149 CO 0.02 0.64 0.16 0.93 0.00 0.00 0.00 179.25 181.00 1few h GLU 150 N 0.90 0.55 -0.45 0.00 5.08 -0.67 -0.75 114.58 119.23 1few h GLU 150 Ca 0.15 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1few h GLU 150 Cb 0.64 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1few h GLU 150 CO 0.04 0.45 -0.12 1.15 -1.00 0.00 0.00 179.01 179.54 1few h THR 151 N 0.55 1.26 -0.17 1.13 2.02 -1.07 0.10 112.91 116.73 1few h THR 151 Ca 0.14 -1.20 -0.17 0.00 0.77 0.00 0.00 66.41 65.94 1few h THR 151 Cb 0.11 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1few h THR 151 CO -0.01 0.41 -0.58 0.11 0.37 0.00 0.00 175.52 175.82 1few h LYS 152 N 0.75 0.56 -0.31 6.66 1.57 -1.12 -1.90 116.57 122.77 1few h LYS 152 Ca 0.12 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1few h LYS 152 Cb 0.62 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1few h LYS 152 CO 0.04 0.98 -0.14 1.25 -0.57 0.00 0.00 179.45 181.02 1few h LEU 153 N 0.42 0.66 -0.75 2.94 5.85 -0.85 -2.06 115.31 121.52 1few h LEU 153 Ca 0.00 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1few h LEU 153 Cb 1.14 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1few h LEU 153 CO 0.11 0.91 0.34 0.00 -0.34 0.00 0.00 178.44 179.46 1few h ALA 154 N 0.77 0.97 -0.70 1.25 0.00 -0.76 0.77 119.26 121.56 1few h ALA 154 Ca 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1few h ALA 154 Cb 0.66 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1few h ALA 154 CO 0.04 0.55 0.20 1.49 0.00 0.00 0.00 179.25 181.53 1few h GLU 155 N 1.06 1.09 -0.48 0.00 4.57 -1.27 0.94 114.58 120.50 1few h GLU 155 Ca 0.25 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 1few h GLU 155 Cb 0.15 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1few h GLU 155 CO -0.03 0.94 -0.09 0.00 -1.18 0.00 0.00 179.01 178.65 1few h ALA 156 N 1.17 0.65 -0.70 2.92 0.00 -0.86 -0.64 119.26 121.80 1few h ALA 156 Ca 0.22 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1few h ALA 156 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1few h ALA 156 CO -0.00 0.54 0.21 1.96 0.00 0.00 0.00 179.25 181.95 1few h GLN 157 N 0.75 1.10 -0.21 0.00 4.20 -0.47 -1.24 115.11 119.24 1few h GLN 157 Ca 0.12 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1few h GLN 157 Cb 0.64 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1few h GLN 157 CO 0.04 0.95 0.08 0.82 -0.67 0.00 0.00 178.83 180.05 1few h ILE 158 N 1.04 1.17 -0.82 2.54 2.04 -0.64 -1.11 117.51 121.72 1few h ILE 158 Ca 0.23 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1few h ILE 158 Cb 0.32 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1few h ILE 158 CO -0.01 0.17 0.51 -0.33 0.00 0.00 0.00 178.15 178.49 1few h GLU 159 N 0.18 1.11 -0.55 2.37 4.39 -0.90 0.20 114.58 121.37 1few h GLU 159 Ca 0.07 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1few h GLU 159 Cb 0.19 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1few h GLU 159 CO -0.00 0.76 0.15 1.49 -1.16 0.00 0.00 179.01 180.25 1few h GLU 160 N 1.13 0.88 -0.28 2.33 4.22 -1.01 -0.68 114.58 121.16 1few h GLU 160 Ca 0.30 -0.20 -0.14 0.00 0.08 0.00 0.00 59.36 59.40 1few h GLU 160 Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1few h GLU 160 CO -0.06 0.81 -0.39 1.25 -2.18 0.00 0.00 179.01 178.44 1few h LEU 161 N 0.78 0.71 0.59 1.64 6.46 -0.55 0.66 115.31 125.60 1few h LEU 161 Ca 0.18 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1few h LEU 161 Cb 0.31 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1few h LEU 161 CO -0.00 1.02 -0.47 0.50 -0.62 0.00 0.00 178.44 178.87 1few h LYS 162 N 0.55 -0.99 0.04 1.25 1.63 -0.34 0.33 116.57 119.04 1few h LYS 162 Ca 0.05 0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1few h LYS 162 Cb 0.92 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1few h LYS 162 CO 0.08 -0.66 -0.06 1.96 -3.45 0.00 0.00 179.45 177.32 1few h GLN 163 N -1.03 -0.12 -0.27 1.90 1.08 -1.05 -1.59 115.11 114.03 1few h GLN 163 Ca -0.07 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1few h GLN 163 Cb 0.87 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 1few h GLN 163 CO 0.01 -0.08 0.09 -0.22 -0.95 0.00 0.00 178.83 177.67 1few h LYS 164 N -0.12 0.20 -0.62 1.46 3.64 -0.79 0.11 116.57 120.45 1few h LYS 164 Ca 0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1few h LYS 164 Cb 0.13 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1few h LYS 164 CO -0.03 0.13 0.31 1.79 -2.27 0.00 0.00 179.45 179.38 1few h THR 165 N 0.21 1.20 0.06 1.00 1.35 -0.84 0.10 112.91 115.98 1few h THR 165 Ca 0.12 -0.53 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1few h THR 165 Cb 0.09 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1few h THR 165 CO -0.13 0.23 -0.03 -0.61 -0.25 0.00 0.00 175.52 174.73 1few h GLN 166 N 0.87 -0.08 -0.42 4.72 4.15 -0.41 -0.09 115.11 123.84 1few h GLN 166 Ca 0.22 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1few h GLN 166 Cb 0.06 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1few h GLN 166 CO -0.03 0.12 0.12 0.93 -1.93 0.00 0.00 178.83 178.04 1few h GLU 167 N -0.26 0.62 0.10 1.69 4.39 -0.49 -1.51 114.58 119.12 1few h GLU 167 Ca -0.01 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1few h GLU 167 Cb 0.23 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1few h GLU 167 CO 0.01 0.55 -0.05 0.93 -1.16 0.00 0.00 179.01 179.30 1few h GLU 168 N 0.61 -0.13 -0.93 2.33 5.08 -0.53 -0.91 114.58 120.10 1few h GLU 168 Ca 0.14 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1few h GLU 168 Cb 0.20 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1few h GLU 168 CO -0.01 0.01 0.62 0.78 -1.00 0.00 0.00 179.01 179.41 1few h GLY 169 N -0.25 1.32 1.12 -3.84 0.00 -0.60 -1.10 103.07 99.73 1few h GLY 169 Ca -0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1few h GLY 169 CO 0.02 0.46 -0.36 0.83 0.00 0.00 0.00 176.54 177.48 1few h GLU 170 N 1.24 0.95 -0.13 4.80 5.08 -1.10 0.75 114.58 126.16 1few h GLU 170 Ca 0.35 -0.49 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 1few h GLU 170 Cb -0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1few h GLU 170 CO -0.09 1.15 -0.48 0.93 -1.00 0.00 0.00 179.01 179.53 1few h GLU 171 N 0.77 0.34 -0.01 2.33 5.08 -0.97 -2.43 114.58 119.69 1few h GLU 171 Ca 0.07 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 58.03 1few h GLU 171 Cb 0.96 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1few h GLU 171 CO 0.09 0.75 -0.88 -0.09 -1.00 0.00 0.00 179.01 177.88 1few h ARG 172 N 0.28 0.30 -0.48 2.33 1.12 -1.06 -2.21 114.38 114.66 1few h ARG 172 Ca 0.02 -0.32 -0.12 0.00 -1.11 0.00 0.00 59.98 58.45 1few h ARG 172 Cb 0.94 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.97 1few h ARG 172 CO 0.08 1.01 -0.17 0.00 -3.11 0.00 0.00 179.97 177.78 1few h ALA 173 N 0.88 0.80 0.21 2.80 0.00 -0.78 -1.88 119.26 121.29 1few h ALA 173 Ca -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1few h ALA 173 Cb 1.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1few h ALA 173 CO 0.14 0.66 -0.12 0.93 0.00 0.00 0.00 179.25 180.86 1few h GLU 174 N 0.82 -0.30 -0.41 0.00 5.08 -1.35 0.19 114.58 118.61 1few h GLU 174 Ca 0.12 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1few h GLU 174 Cb 0.72 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1few h GLU 174 CO 0.05 -0.20 0.24 0.77 -1.00 0.00 0.00 179.01 178.87 1few h SER 175 N -0.31 0.49 -0.10 1.42 0.02 -1.33 0.18 113.55 113.92 1few h SER 175 Ca -0.02 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.68 1few h SER 175 Cb 0.25 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.68 1few h SER 175 CO 0.03 0.39 -0.79 -0.33 -1.14 0.00 0.00 176.83 174.99 1few h GLU 176 N 0.56 0.76 -0.39 3.45 3.07 -0.97 -1.16 114.58 119.90 1few h GLU 176 Ca 0.15 -0.63 -0.08 0.00 -0.50 0.00 0.00 59.36 58.31 1few h GLU 176 Cb -0.01 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1few h GLU 176 CO -0.03 1.23 -0.05 1.96 -1.40 0.00 0.00 179.01 180.72 1few h GLN 177 N 0.51 0.73 -0.29 2.33 4.20 0.04 0.27 115.11 122.90 1few h GLN 177 Ca -0.05 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.34 1few h GLN 177 Cb 1.41 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 1few h GLN 177 CO 0.16 0.85 -0.09 0.93 -0.67 0.00 0.00 178.83 180.01 1few h GLU 178 N 0.54 0.47 -0.03 1.46 5.08 -0.65 -1.33 114.58 120.11 1few h GLU 178 Ca 0.10 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1few h GLU 178 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1few h GLU 178 CO 0.03 0.56 -0.65 0.00 -1.00 0.00 0.00 179.01 177.96 1few h ALA 179 N 1.47 0.85 -0.58 3.43 0.00 -0.93 -2.21 119.26 121.30 1few h ALA 179 Ca 0.09 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1few h ALA 179 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1few h ALA 179 CO 0.02 0.78 -0.00 -0.92 0.00 0.00 0.00 179.25 179.13 1few h TYR 180 N 0.10 1.11 0.00 0.00 3.20 -0.04 -2.80 116.97 118.53 1few h TYR 180 Ca -0.01 -0.19 -0.08 0.00 3.14 0.00 0.00 58.73 61.59 1few h TYR 180 Cb 1.16 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1few h TYR 180 CO 0.01 1.00 -0.36 -0.07 -1.64 0.00 0.00 178.16 177.10 1few h LEU 181 N 0.91 0.00 -2.03 2.82 3.38 -1.13 -0.63 115.31 118.63 1few h LEU 181 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1few h LEU 181 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1few h LEU 181 CO 0.03 0.36 0.00 0.54 0.09 0.00 0.00 178.44 179.47 1few n ARG 182 N -3.49 0.58 -0.98 1.13 1.74 -0.85 -4.64 116.66 110.15 1few n ARG 182 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1few n ARG 182 Cb 0.51 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1few n ARG 182 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1few n GLU 183 N 0.73 0.00 0.00 5.56 -0.58 -1.13 -5.05 120.64 120.17 1few n GLU 183 Ca 0.00 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1few n GLU 183 Cb 0.29 -0.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 1few n GLU 183 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40