#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3o n TYR 3 N 0.00 2.64 -0.11 1.43 4.01 -1.26 -4.92 117.16 118.96 2k3o n TYR 3 Ca 0.00 -3.68 0.13 0.00 -0.16 0.00 0.00 57.90 54.19 2k3o n TYR 3 Cb 0.00 -0.39 0.51 0.00 -0.31 0.00 0.00 39.34 39.15 2k3o n TYR 3 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2k3o h SER 4 N 2.92 0.36 -0.73 7.72 4.64 -1.93 -0.74 113.55 125.78 2k3o h SER 4 Ca 0.13 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 2k3o h SER 4 Cb 0.76 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2k3o h SER 4 CO 0.71 0.21 0.26 0.28 -0.87 0.00 0.00 176.83 177.42 2k3o h SER 5 N 0.39 1.05 -0.06 4.97 0.02 -1.97 0.46 113.55 118.41 2k3o h SER 5 Ca 0.31 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 2k3o h SER 5 Cb 0.66 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.94 2k3o h SER 5 CO -0.09 0.95 -0.68 0.00 -1.14 0.00 0.00 176.83 175.87 2k3o h ALA 6 N 1.19 0.16 -0.33 3.77 0.00 -1.64 -0.96 119.26 121.45 2k3o h ALA 6 Ca 0.24 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2k3o h ALA 6 Cb 0.26 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2k3o h ALA 6 CO -0.01 0.48 -0.02 0.35 0.00 0.00 0.00 179.25 180.04 2k3o h PHE 7 N 0.17 -0.05 0.00 0.00 3.04 -1.14 -0.81 116.94 118.14 2k3o h PHE 7 Ca -0.07 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 2k3o h PHE 7 Cb 1.35 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.93 2k3o h PHE 7 CO 0.12 -0.08 -0.05 0.00 -2.02 0.00 0.00 178.31 176.27 2k3o h ALA 8 N 1.30 1.12 0.02 2.41 0.00 -0.89 -0.40 119.26 122.83 2k3o h ALA 8 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k3o h ALA 8 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k3o h ALA 8 CO -0.29 0.07 -0.01 -0.56 0.00 0.00 0.00 179.25 178.46 2k3o h GLN 9 N 0.00 -0.03 -0.17 0.00 3.07 0.27 0.77 115.11 119.02 2k3o h GLN 9 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.55 2k3o h GLN 9 Cb 0.30 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2k3o h GLN 9 CO 0.01 0.42 -0.68 0.00 0.09 0.00 0.00 178.83 178.67 2k3o h ALA 10 N 0.48 0.48 -0.07 0.06 0.00 -1.26 -0.03 119.26 118.93 2k3o h ALA 10 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.35 2k3o h ALA 10 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k3o h ALA 10 CO 0.00 0.70 -0.00 0.00 0.00 0.00 0.00 179.25 179.95 2k3o h ALA 11 N 0.75 0.06 -0.88 0.00 0.00 -1.13 -1.53 119.26 116.53 2k3o h ALA 11 Ca -0.02 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2k3o h ALA 11 Cb 1.27 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2k3o h ALA 11 CO 0.13 -0.48 0.55 0.77 0.00 0.00 0.00 179.25 180.23 2k3o h SER 12 N 0.02 0.86 -0.35 0.00 0.02 -0.64 0.28 113.55 113.75 2k3o h SER 12 Ca 0.03 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2k3o h SER 12 Cb 0.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2k3o h SER 12 CO -0.06 0.55 0.22 -1.28 -1.14 0.00 0.00 176.83 175.12 2k3o h SER 13 N 1.00 0.38 0.02 3.07 0.87 -0.70 0.09 113.55 118.27 2k3o h SER 13 Ca 0.38 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2k3o h SER 13 Cb 0.18 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2k3o h SER 13 CO -0.18 0.28 -0.01 0.28 -0.53 0.00 0.00 176.83 176.67 2k3o h SER 14 N 0.46 -0.02 -0.53 6.23 0.02 -1.01 -3.11 113.55 115.59 2k3o h SER 14 Ca 0.13 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2k3o h SER 14 Cb -0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2k3o h SER 14 CO -0.04 0.46 0.26 -0.07 -1.14 0.00 0.00 176.83 176.30 2k3o h LEU 15 N -0.50 0.72 -1.18 5.07 3.38 -0.35 0.22 115.31 122.67 2k3o h LEU 15 Ca -0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2k3o h LEU 15 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k3o h LEU 15 CO 0.00 0.62 -0.30 0.00 0.09 0.00 0.00 178.44 178.86 2k3o h ALA 16 N 1.49 1.09 0.05 1.53 0.00 -1.09 -3.01 119.26 119.31 2k3o h ALA 16 Ca 0.20 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2k3o h ALA 16 Cb 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k3o h ALA 16 CO -0.02 0.37 -1.19 1.15 0.00 0.00 0.00 179.25 179.56 2k3o h THR 17 N 0.00 1.52 -0.08 0.00 2.02 -1.09 -3.42 112.91 111.87 2k3o h THR 17 Ca -0.00 -3.19 -0.55 0.00 0.77 0.00 0.00 66.41 63.44 2k3o h THR 17 Cb 0.74 2.84 0.06 0.00 -1.74 0.00 0.00 68.15 70.05 2k3o h THR 17 CO 0.04 0.90 1.74 -1.20 0.37 0.00 0.00 175.52 177.36 2k3o n SER 18 N -3.39 2.15 -0.15 4.18 7.64 0.62 -4.78 113.62 119.88 2k3o n SER 18 Ca -0.06 -2.63 0.20 0.00 1.01 0.00 0.00 58.87 57.40 2k3o n SER 18 Cb 0.99 -1.10 0.60 0.00 -1.01 0.00 0.00 64.21 63.69 2k3o n SER 18 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2k3o h SER 19 N 8.94 0.22 -1.00 6.43 0.87 -1.82 0.76 113.55 127.96 2k3o h SER 19 Ca 0.32 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.93 2k3o h SER 19 Cb 0.74 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 2k3o h SER 19 CO 1.81 0.10 0.66 0.00 -0.53 0.00 0.00 176.83 178.87 2k3o h ALA 20 N 1.64 1.33 -0.03 6.23 0.00 -1.95 0.79 119.26 127.26 2k3o h ALA 20 Ca 0.38 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2k3o h ALA 20 Cb 1.17 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k3o h ALA 20 CO -0.09 0.60 -0.34 0.82 0.00 0.00 0.00 179.25 180.24 2k3o h ILE 21 N 1.30 1.47 -0.75 0.00 2.04 -1.23 -1.07 117.51 119.26 2k3o h ILE 21 Ca 0.38 -1.87 0.01 0.00 1.00 0.00 0.00 64.86 64.39 2k3o h ILE 21 Cb -0.06 2.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 2k3o h ILE 21 CO -0.11 0.53 0.49 0.28 0.00 0.00 0.00 178.15 179.35 2k3o h SER 22 N -0.28 0.86 -0.01 1.72 0.02 -1.17 -0.55 113.55 114.14 2k3o h SER 22 Ca -0.03 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 2k3o h SER 22 Cb 1.04 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2k3o h SER 22 CO 0.07 0.62 -0.47 0.03 -1.14 0.00 0.00 176.83 175.95 2k3o h ARG 23 N 1.01 0.55 -0.57 3.45 3.08 -0.92 -1.14 114.38 119.85 2k3o h ARG 23 Ca 0.27 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2k3o h ARG 23 Cb -0.12 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2k3o h ARG 23 CO -0.06 0.91 0.38 0.00 -1.07 0.00 0.00 179.97 180.12 2k3o h ALA 24 N 1.05 0.72 -0.30 0.04 0.00 -0.77 0.15 119.26 120.15 2k3o h ALA 24 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2k3o h ALA 24 Cb 0.98 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k3o h ALA 24 CO 0.09 0.15 -0.19 0.74 0.00 0.00 0.00 179.25 180.04 2k3o h PHE 25 N 0.77 0.60 0.00 0.00 0.04 -1.02 -2.51 116.94 114.81 2k3o h PHE 25 Ca 0.21 -0.11 -0.14 0.00 2.80 0.00 0.00 57.97 60.73 2k3o h PHE 25 Cb -0.09 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 2k3o h PHE 25 CO -0.04 0.70 -0.65 0.00 -0.60 0.00 0.00 178.31 177.73 2k3o h ALA 26 N 1.31 0.69 -0.36 2.45 0.00 -1.00 -3.31 119.26 119.04 2k3o h ALA 26 Ca 0.08 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2k3o h ALA 26 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k3o h ALA 26 CO 0.04 0.81 -0.19 1.03 0.00 0.00 0.00 179.25 180.94 2k3o h SER 27 N 0.00 0.80 -3.85 0.00 0.87 -0.54 -3.44 113.55 107.39 2k3o h SER 27 Ca -0.01 -0.41 -0.50 0.00 -1.23 0.00 0.00 61.79 59.64 2k3o h SER 27 Cb 1.35 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2k3o h SER 27 CO 0.08 1.04 0.45 0.68 -0.53 0.00 0.00 176.83 178.55 2k3o s VAL 28 N -4.59 3.57 -0.07 2.23 -7.23 -0.96 -4.97 120.40 108.37 2k3o s VAL 28 Ca -0.12 1.46 0.10 0.00 -1.81 0.00 0.00 61.98 61.61 2k3o s VAL 28 Cb 0.10 -3.89 0.15 0.00 0.56 0.00 0.00 36.38 33.31 2k3o s VAL 28 CO 0.83 0.26 1.06 -1.20 -0.31 0.00 0.00 175.10 175.74 2k3o n SER 29 N 0.82 1.40 -3.83 4.85 7.64 -1.26 -4.71 113.62 118.53 2k3o n SER 29 Ca 0.01 -2.53 -0.12 0.00 1.01 0.00 0.00 58.87 57.23 2k3o n SER 29 Cb 0.46 -0.30 -0.13 0.00 -1.01 0.00 0.00 64.21 63.23 2k3o n SER 29 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k3o s SER 30 N -1.95 -0.10 0.36 6.43 0.01 -1.26 -4.81 113.70 112.37 2k3o s SER 30 Ca 0.17 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.67 2k3o s SER 30 Cb 0.15 0.20 0.68 0.00 0.21 0.00 0.00 66.02 67.25 2k3o s SER 30 CO 0.02 -0.04 2.00 0.00 0.41 0.00 0.00 173.24 175.62 2k3o h ALA 31 N 6.10 1.60 0.00 1.44 0.00 -1.94 -0.93 119.26 125.53 2k3o h ALA 31 Ca -0.26 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2k3o h ALA 31 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k3o h ALA 31 CO 0.44 0.35 -0.40 0.77 0.00 0.00 0.00 179.25 180.42 2k3o h SER 32 N 0.82 0.00 -0.09 0.00 0.02 -1.96 0.44 113.55 112.78 2k3o h SER 32 Ca 0.25 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.02 2k3o h SER 32 Cb -0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k3o h SER 32 CO -0.06 0.40 -0.66 0.00 -1.14 0.00 0.00 176.83 175.37 2k3o h ALA 33 N 1.60 0.20 -0.41 3.77 0.00 -1.63 -0.40 119.26 122.39 2k3o h ALA 33 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2k3o h ALA 33 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2k3o h ALA 33 CO 0.05 0.49 0.23 0.00 0.00 0.00 0.00 179.25 180.03 2k3o h ALA 34 N 0.46 0.52 -0.59 0.00 0.00 -1.24 -1.11 119.26 117.30 2k3o h ALA 34 Ca -0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2k3o h ALA 34 Cb 1.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2k3o h ALA 34 CO 0.13 0.03 0.09 0.66 0.00 0.00 0.00 179.25 180.17 2k3o h SER 35 N 0.53 0.90 -0.41 0.00 4.64 -0.91 0.19 113.55 118.50 2k3o h SER 35 Ca 0.14 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2k3o h SER 35 Cb 0.03 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 2k3o h SER 35 CO -0.02 0.91 0.13 -1.28 -0.87 0.00 0.00 176.83 175.70 2k3o h SER 36 N 0.90 0.59 -0.25 4.97 0.87 -0.98 0.13 113.55 119.78 2k3o h SER 36 Ca 0.18 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2k3o h SER 36 Cb 0.40 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2k3o h SER 36 CO 0.01 0.63 0.09 0.17 -0.53 0.00 0.00 176.83 177.20 2k3o h LEU 37 N 0.52 0.35 -1.57 2.23 8.10 -0.96 -0.21 115.31 123.76 2k3o h LEU 37 Ca 0.13 -0.18 -0.03 0.00 0.11 0.00 0.00 57.88 57.91 2k3o h LEU 37 Cb 0.25 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 2k3o h LEU 37 CO -0.01 0.44 -0.06 0.00 -4.11 0.00 0.00 178.44 174.70 2k3o h ALA 38 N 0.93 1.65 -0.09 0.17 0.00 -0.87 -0.01 119.26 121.03 2k3o h ALA 38 Ca 0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2k3o h ALA 38 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k3o h ALA 38 CO -0.00 0.26 -0.25 -0.92 0.00 0.00 0.00 179.25 178.34 2k3o h TYR 39 N 0.20 0.43 0.41 0.00 3.20 -0.52 0.08 116.97 120.77 2k3o h TYR 39 Ca 0.05 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2k3o h TYR 39 Cb 0.24 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2k3o h TYR 39 CO 0.00 0.86 -0.21 -0.91 -1.64 0.00 0.00 178.16 176.27 2k3o h ASN 40 N -0.12 -0.50 0.45 -2.11 2.35 -0.62 0.74 115.58 115.77 2k3o h ASN 40 Ca -0.00 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 2k3o h ASN 40 Cb 0.86 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 2k3o h ASN 40 CO 0.05 -0.35 -0.46 0.16 -1.65 0.00 0.00 177.43 175.19 2k3o h ILE 41 N -0.57 1.33 -0.42 2.81 3.07 -1.13 -2.69 117.51 119.90 2k3o h ILE 41 Ca -0.05 -1.57 -0.15 0.00 1.55 0.00 0.00 64.86 64.64 2k3o h ILE 41 Cb 0.45 1.84 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 2k3o h ILE 41 CO 0.08 0.45 -0.32 1.23 -1.05 0.00 0.00 178.15 178.54 2k3o h GLY 42 N 1.37 1.04 0.86 0.16 0.00 -0.78 0.77 103.07 106.49 2k3o h GLY 42 Ca -0.00 -1.01 0.02 0.00 0.00 0.00 0.00 47.33 46.33 2k3o h GLY 42 CO 0.06 0.92 0.05 1.41 0.00 0.00 0.00 176.54 178.98 2k3o h LEU 43 N 0.79 0.06 -0.65 3.11 4.07 -0.79 0.90 115.31 122.81 2k3o h LEU 43 Ca 0.08 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 2k3o h LEU 43 Cb 0.91 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 2k3o h LEU 43 CO 0.08 0.06 0.22 -1.28 -1.08 0.00 0.00 178.44 176.44 2k3o h SER 44 N 0.14 0.94 -0.14 -0.43 0.87 -1.35 -0.37 113.55 113.21 2k3o h SER 44 Ca 0.07 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2k3o h SER 44 Cb 0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2k3o h SER 44 CO -0.08 0.89 0.03 0.00 -0.53 0.00 0.00 176.83 177.13 2k3o h ALA 45 N 1.09 0.18 -0.80 6.23 0.00 -0.72 -0.59 119.26 124.64 2k3o h ALA 45 Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2k3o h ALA 45 Cb 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2k3o h ALA 45 CO -0.01 -0.17 0.44 0.00 0.00 0.00 0.00 179.25 179.52 2k3o h ALA 46 N 0.81 1.03 -0.45 0.00 0.00 -0.74 0.29 119.26 120.20 2k3o h ALA 46 Ca 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2k3o h ALA 46 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k3o h ALA 46 CO 0.00 0.54 0.18 0.00 0.00 0.00 0.00 179.25 179.97 2k3o h ARG 47 N 1.11 0.68 -0.58 0.00 3.08 -1.00 0.59 114.38 118.27 2k3o h ARG 47 Ca 0.28 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2k3o h ARG 47 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2k3o h ARG 47 CO -0.05 0.62 0.15 1.03 -1.07 0.00 0.00 179.97 180.66 2k3o h SER 48 N 0.59 0.87 0.96 7.04 0.87 -0.73 -3.00 113.55 120.15 2k3o h SER 48 Ca 0.15 -0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 60.36 2k3o h SER 48 Cb 0.20 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2k3o h SER 48 CO -0.01 0.87 -0.60 -0.07 -0.53 0.00 0.00 176.83 176.49 2k3o h LEU 49 N 0.83 0.00 0.00 2.23 3.38 -0.96 -3.49 115.31 117.31 2k3o h LEU 49 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2k3o h LEU 49 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k3o h LEU 49 CO -0.00 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2k3o n GLY 50 N 0.69 1.64 3.73 0.83 0.00 0.01 -5.07 105.19 107.02 2k3o n GLY 50 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2k3o n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k3o s ILE 51 N -2.00 3.12 -1.78 -0.61 1.09 -0.11 -4.93 121.20 115.98 2k3o s ILE 51 Ca 0.00 0.86 0.00 0.00 -1.10 0.00 0.00 60.65 60.41 2k3o s ILE 51 Cb 0.00 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 2k3o s ILE 51 CO 0.00 0.10 0.70 0.00 -0.10 0.00 0.00 174.94 175.64 2k3o n ALA 52 N 3.26 2.26 -2.69 9.38 0.00 -1.26 -3.83 120.51 127.63 2k3o n ALA 52 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2k3o n ALA 52 Cb 0.42 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.95 2k3o n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k3o n SER 53 N -0.36 -1.74 -0.31 0.00 2.88 -1.26 -5.03 113.62 107.79 2k3o n SER 53 Ca 0.00 -2.43 0.12 0.00 -1.33 0.00 0.00 58.87 55.23 2k3o n SER 53 Cb 0.04 1.19 0.29 0.00 -0.75 0.00 0.00 64.21 64.99 2k3o n SER 53 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2k3o h ASP 54 N 1.99 0.51 0.07 -3.46 2.03 -1.92 -0.10 116.42 115.54 2k3o h ASP 54 Ca -0.33 0.12 -0.01 0.00 -0.73 0.00 0.00 57.03 56.08 2k3o h ASP 54 Cb 1.24 0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 39.80 2k3o h ASP 54 CO -0.06 0.12 -0.07 0.71 -1.03 0.00 0.00 179.24 178.91 2k3o h THR 55 N 0.55 1.01 0.18 1.15 1.35 -1.95 -0.61 112.91 114.60 2k3o h THR 55 Ca 0.54 -0.24 -0.35 0.00 -0.55 0.00 0.00 66.41 65.81 2k3o h THR 55 Cb 0.94 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2k3o h THR 55 CO -0.45 0.07 -1.80 0.00 -0.25 0.00 0.00 175.52 173.09 2k3o h ALA 56 N 1.93 0.21 0.83 6.62 0.00 -1.49 -1.76 119.26 125.60 2k3o h ALA 56 Ca -0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 54.91 53.68 2k3o h ALA 56 Cb 0.13 0.51 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k3o h ALA 56 CO 0.01 1.08 -0.40 1.25 0.00 0.00 0.00 179.25 181.19 2k3o h LEU 57 N 0.10 -0.94 -1.43 0.00 7.12 -1.11 -0.80 115.31 118.24 2k3o h LEU 57 Ca -0.36 0.03 -0.06 0.00 0.13 0.00 0.00 57.88 57.62 2k3o h LEU 57 Cb 2.09 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 42.45 2k3o h LEU 57 CO 0.16 -0.66 -0.29 0.00 -0.13 0.00 0.00 178.44 177.52 2k3o h ALA 58 N -0.96 1.47 -0.25 1.25 0.00 -1.28 -1.55 119.26 117.94 2k3o h ALA 58 Ca -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k3o h ALA 58 Cb 0.85 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k3o h ALA 58 CO 0.19 0.36 0.09 0.78 0.00 0.00 0.00 179.25 180.67 2k3o h GLY 59 N 0.93 0.40 1.03 0.00 0.00 -1.19 0.14 103.07 104.39 2k3o h GLY 59 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2k3o h GLY 59 CO 0.04 0.21 0.40 0.00 0.00 0.00 0.00 176.54 177.18 2k3o h ALA 60 N 0.93 1.07 -0.62 3.60 0.00 -0.82 -1.32 119.26 122.09 2k3o h ALA 60 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2k3o h ALA 60 Cb 0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2k3o h ALA 60 CO -0.01 0.64 0.29 -0.07 0.00 0.00 0.00 179.25 180.10 2k3o h LEU 61 N 1.18 0.82 -0.62 0.00 3.38 -1.12 -0.21 115.31 118.75 2k3o h LEU 61 Ca 0.28 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k3o h LEU 61 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2k3o h LEU 61 CO -0.04 0.74 0.38 0.00 0.09 0.00 0.00 178.44 179.61 2k3o h ALA 62 N 1.12 0.79 -0.29 1.53 0.00 -0.45 -0.44 119.26 121.52 2k3o h ALA 62 Ca 0.21 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2k3o h ALA 62 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2k3o h ALA 62 CO -0.02 0.26 -0.34 1.96 0.00 0.00 0.00 179.25 181.10 2k3o h GLN 63 N 0.84 0.65 -0.50 0.00 4.20 -1.11 -0.95 115.11 118.22 2k3o h GLN 63 Ca 0.22 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2k3o h GLN 63 Cb -0.04 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2k3o h GLN 63 CO -0.04 0.90 0.24 0.00 -0.67 0.00 0.00 178.83 179.25 2k3o h ALA 64 N 1.07 0.65 -0.15 3.87 0.00 -0.73 -1.27 119.26 122.70 2k3o h ALA 64 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k3o h ALA 64 Cb 0.85 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k3o h ALA 64 CO 0.07 0.22 0.10 0.28 0.00 0.00 0.00 179.25 179.92 2k3o h VAL 65 N 0.67 1.04 -0.07 0.00 2.07 -1.04 -2.34 116.25 116.58 2k3o h VAL 65 Ca 0.17 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.64 2k3o h VAL 65 Cb 0.13 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2k3o h VAL 65 CO -0.02 0.04 0.10 1.23 0.02 0.00 0.00 177.57 178.94 2k3o h GLY 66 N 0.20 0.00 1.99 2.17 0.00 -0.99 -1.86 103.07 104.59 2k3o h GLY 66 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2k3o h GLY 66 CO -0.01 0.00 -0.53 -1.33 0.00 0.00 0.00 176.54 174.67 2k3o h GLY 67 N 0.00 0.01 0.18 4.60 0.00 -0.66 -3.29 103.07 103.91 2k3o h GLY 67 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2k3o h GLY 67 CO -0.00 0.01 -0.20 -2.08 0.00 0.00 0.00 176.54 174.27 2k3o h VAL 68 N 0.01 1.72 0.00 4.60 2.07 -1.29 -3.51 116.25 119.84 2k3o h VAL 68 Ca -0.01 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2k3o h VAL 68 Cb 0.94 3.32 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 2k3o h VAL 68 CO 0.07 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.90 2k3o n GLY 69 N 1.59 -1.91 3.81 2.17 0.00 -1.08 -4.91 105.19 104.86 2k3o n GLY 69 Ca -0.11 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2k3o n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3o s ALA 70 N -2.75 2.56 0.00 4.61 0.00 -1.26 -3.71 121.76 121.21 2k3o s ALA 70 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2k3o s ALA 70 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2k3o s ALA 70 CO 0.00 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.79 2k3o n GLY 71 N -1.78 2.26 3.70 0.00 0.00 -1.26 -5.00 105.19 103.11 2k3o n GLY 71 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2k3o n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3o s ALA 72 N -2.41 1.65 0.63 4.61 0.00 -1.24 -5.00 121.76 120.00 2k3o s ALA 72 Ca 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 2k3o s ALA 72 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2k3o s ALA 72 CO 0.00 -2.50 1.29 0.45 0.00 0.00 0.00 175.76 175.00 2k3o n SER 73 N -4.04 2.11 -0.23 0.00 2.88 -1.26 -4.89 113.62 108.19 2k3o n SER 73 Ca 0.11 0.85 0.11 0.00 -1.33 0.00 0.00 58.87 58.61 2k3o n SER 73 Cb 0.52 -1.55 0.39 0.00 -0.75 0.00 0.00 64.21 62.82 2k3o n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3o h ALA 74 N 0.68 1.84 -0.42 -1.46 0.00 -1.92 -1.09 119.26 116.89 2k3o h ALA 74 Ca -0.51 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2k3o h ALA 74 Cb 1.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2k3o h ALA 74 CO 0.54 -0.04 0.20 0.77 0.00 0.00 0.00 179.25 180.72 2k3o h SER 75 N 0.67 0.52 -0.13 0.00 0.02 -1.97 0.36 113.55 113.02 2k3o h SER 75 Ca 0.40 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 2k3o h SER 75 Cb 0.61 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2k3o h SER 75 CO -0.16 0.44 -0.12 0.00 -1.14 0.00 0.00 176.83 175.85 2k3o h ALA 76 N 1.64 0.19 -0.06 3.77 0.00 -1.56 0.39 119.26 123.63 2k3o h ALA 76 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k3o h ALA 76 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k3o h ALA 76 CO -0.02 0.04 0.02 1.88 0.00 0.00 0.00 179.25 181.17 2k3o h TYR 77 N -0.07 0.09 -0.67 0.00 0.05 -1.41 -0.81 116.97 114.15 2k3o h TYR 77 Ca 0.02 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.81 2k3o h TYR 77 Cb 0.64 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.31 2k3o h TYR 77 CO 0.08 0.24 0.44 0.00 -1.05 0.00 0.00 178.16 177.87 2k3o h ALA 78 N 0.84 0.86 -0.35 3.88 0.00 -0.97 -0.73 119.26 122.79 2k3o h ALA 78 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k3o h ALA 78 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2k3o h ALA 78 CO -0.00 0.25 0.17 -0.97 0.00 0.00 0.00 179.25 178.70 2k3o h ASN 79 N 0.88 0.45 -0.83 0.00 -1.24 -0.90 0.10 115.58 114.05 2k3o h ASN 79 Ca 0.25 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 2k3o h ASN 79 Cb -0.07 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 2k3o h ASN 79 CO -0.07 0.44 0.45 0.00 -1.29 0.00 0.00 177.43 176.96 2k3o h ALA 80 N 1.03 1.21 -0.25 1.57 0.00 -0.63 0.28 119.26 122.48 2k3o h ALA 80 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k3o h ALA 80 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2k3o h ALA 80 CO -0.02 0.63 -0.05 0.82 0.00 0.00 0.00 179.25 180.63 2k3o h ILE 81 N 1.17 1.28 -0.37 0.00 2.04 -1.07 0.22 117.51 120.77 2k3o h ILE 81 Ca 0.29 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 2k3o h ILE 81 Cb 0.04 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2k3o h ILE 81 CO -0.05 0.32 0.10 0.00 0.00 0.00 0.00 178.15 178.52 2k3o h ALA 82 N 0.77 1.47 -0.42 1.87 0.00 -0.56 0.13 119.26 122.52 2k3o h ALA 82 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2k3o h ALA 82 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k3o h ALA 82 CO 0.02 0.39 -0.06 -0.09 0.00 0.00 0.00 179.25 179.52 2k3o h ARG 83 N 0.54 0.78 0.08 0.00 2.43 -0.38 0.64 114.38 118.47 2k3o h ARG 83 Ca 0.13 -0.28 -0.25 0.00 -0.81 0.00 0.00 59.98 58.77 2k3o h ARG 83 Cb 0.20 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2k3o h ARG 83 CO -0.00 0.89 -1.12 0.00 -1.51 0.00 0.00 179.97 178.22 2k3o h ALA 84 N 0.87 0.21 -0.13 2.80 0.00 -0.26 0.29 119.26 123.04 2k3o h ALA 84 Ca 0.11 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 2k3o h ALA 84 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k3o h ALA 84 CO 0.03 0.94 -0.00 0.00 0.00 0.00 0.00 179.25 180.22 2k3o h ALA 85 N 0.68 0.18 -0.15 0.00 0.00 -0.89 -2.94 119.26 116.13 2k3o h ALA 85 Ca -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k3o h ALA 85 Cb 1.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2k3o h ALA 85 CO 0.18 -0.12 0.10 0.78 0.00 0.00 0.00 179.25 180.19 2k3o h GLY 86 N -0.04 0.22 1.62 0.00 0.00 -0.77 -0.93 103.07 103.16 2k3o h GLY 86 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2k3o h GLY 86 CO 0.01 0.08 0.01 0.06 0.00 0.00 0.00 176.54 176.70 2k3o h GLN 87 N 0.20 0.48 -0.06 4.80 3.07 -0.54 0.24 115.11 123.30 2k3o h GLN 87 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 2k3o h GLN 87 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 27.47 2k3o h GLN 87 CO -0.01 0.50 0.00 0.35 0.09 0.00 0.00 178.83 179.76 2k3o h PHE 88 N 0.47 0.11 0.00 0.06 3.04 -1.27 -0.79 116.94 118.55 2k3o h PHE 88 Ca 0.10 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.01 2k3o h PHE 88 Cb 0.29 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2k3o h PHE 88 CO 0.01 0.35 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.45 2k3o h LEU 89 N -0.17 0.00 0.01 0.59 3.38 -0.88 -0.99 115.31 117.25 2k3o h LEU 89 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k3o h LEU 89 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k3o h LEU 89 CO 0.00 0.13 -0.01 0.00 0.09 0.00 0.00 178.44 178.66 2k3o h ALA 90 N 1.87 -0.02 0.00 1.53 0.00 -0.27 0.14 119.26 122.51 2k3o h ALA 90 Ca -0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2k3o h ALA 90 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k3o h ALA 90 CO 0.02 -0.32 -0.42 1.79 0.00 0.00 0.00 179.25 180.32 2k3o h THR 91 N -0.41 1.03 0.00 0.00 1.35 -0.87 -1.93 112.91 112.08 2k3o h THR 91 Ca -0.00 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 2k3o h THR 91 Cb 0.39 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2k3o h THR 91 CO 0.00 0.41 0.00 0.00 -0.25 0.00 0.00 175.52 175.68 2k3o n GLN 92 N -3.65 0.41 -1.93 4.72 1.13 -0.40 -4.94 117.38 112.73 2k3o n GLN 92 Ca -0.01 0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 54.96 2k3o n GLN 92 Cb 0.51 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.34 2k3o n GLN 92 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k3o n GLY 93 N 0.89 0.39 0.08 1.08 0.00 -0.73 -4.93 105.19 101.97 2k3o n GLY 93 Ca 0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2k3o n GLY 93 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k3o h VAL 94 N 0.00 1.18 -2.81 1.61 2.07 -0.97 -3.44 116.25 113.90 2k3o h VAL 94 Ca -0.29 -2.96 -0.56 0.00 0.82 0.00 0.00 66.70 63.71 2k3o h VAL 94 Cb 1.08 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 2k3o h VAL 94 CO 0.36 0.70 1.05 -0.76 0.02 0.00 0.00 177.57 178.94 2k3o s LEU 95 N -6.41 4.06 0.04 2.57 1.43 -0.91 -4.88 118.68 114.58 2k3o s LEU 95 Ca -0.03 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.81 2k3o s LEU 95 Cb 0.09 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2k3o s LEU 95 CO 0.82 -1.04 -0.05 0.20 0.23 0.00 0.00 176.35 176.51 2k3o s ASN 96 N 3.32 0.62 0.25 2.29 0.01 -1.26 -4.48 114.94 115.68 2k3o s ASN 96 Ca 0.66 -0.62 0.15 0.00 -0.71 0.00 0.00 52.86 52.35 2k3o s ASN 96 Cb -0.25 0.08 0.82 0.00 0.41 0.00 0.00 41.25 42.31 2k3o s ASN 96 CO 0.25 -0.30 1.43 0.00 -1.51 0.00 0.00 177.10 176.97 2k3o n ALA 97 N 1.25 0.93 -0.21 0.60 0.00 -1.26 -0.49 120.51 121.33 2k3o n ALA 97 Ca -0.21 0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3o n ALA 97 Cb 0.56 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.95 2k3o n ALA 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3o h VAL 98 N 0.00 0.39 0.00 0.00 2.07 -1.98 -3.42 116.25 113.31 2k3o h VAL 98 Ca 0.00 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k3o h VAL 98 Cb 0.14 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2k3o h VAL 98 CO 0.00 0.00 -0.07 -0.46 0.02 0.00 0.00 177.57 177.06 2k3o n ASN 99 N -5.41 -0.29 -0.31 0.57 2.04 -0.83 -5.02 115.26 106.01 2k3o n ASN 99 Ca 0.08 -0.74 0.23 0.00 -0.44 0.00 0.00 54.58 53.70 2k3o n ASN 99 Cb 0.33 0.11 0.52 0.00 -2.53 0.00 0.00 39.78 38.21 2k3o n ASN 99 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k3o h ALA 100 N 0.07 2.28 0.82 -2.53 0.00 -1.04 0.21 119.26 119.08 2k3o h ALA 100 Ca -0.14 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2k3o h ALA 100 Cb 0.83 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k3o h ALA 100 CO -0.07 -0.66 -0.40 1.03 0.00 0.00 0.00 179.25 179.15 2k3o h SER 101 N 0.37 -0.96 0.12 0.00 0.87 -1.83 -3.14 113.55 108.98 2k3o h SER 101 Ca 0.57 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 61.14 2k3o h SER 101 Cb 1.49 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2k3o h SER 101 CO -0.25 -0.68 -0.10 -1.28 -0.53 0.00 0.00 176.83 173.99 2k3o h SER 102 N -1.11 0.00 0.14 6.23 0.87 -1.55 -0.13 113.55 117.99 2k3o h SER 102 Ca -0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2k3o h SER 102 Cb 0.86 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2k3o h SER 102 CO 0.18 0.10 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.41 2k3o h LEU 103 N 0.00 0.00 -0.61 2.23 3.38 -1.07 -1.39 115.31 117.85 2k3o h LEU 103 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2k3o h LEU 103 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k3o h LEU 103 CO 0.01 0.10 -0.03 1.23 0.09 0.00 0.00 178.44 179.84 2k3o h GLY 104 N 0.39 1.15 1.00 0.83 0.00 -0.96 -1.47 103.07 104.00 2k3o h GLY 104 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2k3o h GLY 104 CO 0.01 0.79 0.40 1.76 0.00 0.00 0.00 176.54 179.51 2k3o h SER 105 N 0.96 0.74 -0.40 0.19 0.02 -1.37 -0.95 113.55 112.73 2k3o h SER 105 Ca 0.16 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2k3o h SER 105 Cb 0.59 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2k3o h SER 105 CO 0.04 0.55 0.25 0.00 -1.14 0.00 0.00 176.83 176.53 2k3o h ALA 106 N 1.21 0.50 -0.30 3.77 0.00 -0.90 0.14 119.26 123.69 2k3o h ALA 106 Ca 0.23 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2k3o h ALA 106 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k3o h ALA 106 CO -0.05 -0.07 -0.07 1.25 0.00 0.00 0.00 179.25 180.32 2k3o h LEU 107 N 0.50 0.57 -1.13 0.00 7.12 -1.22 -1.68 115.31 119.47 2k3o h LEU 107 Ca 0.15 -0.36 -0.08 0.00 0.13 0.00 0.00 57.88 57.72 2k3o h LEU 107 Cb -0.02 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 39.94 2k3o h LEU 107 CO -0.05 0.80 -0.24 0.00 -0.13 0.00 0.00 178.44 178.82 2k3o h ALA 108 N 0.79 1.28 -0.47 1.25 0.00 -1.02 -0.37 119.26 120.71 2k3o h ALA 108 Ca 0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2k3o h ALA 108 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k3o h ALA 108 CO 0.03 0.48 -0.09 -0.91 0.00 0.00 0.00 179.25 178.77 2k3o h ASN 109 N 0.28 0.83 -0.29 0.00 2.35 -0.66 0.80 115.58 118.89 2k3o h ASN 109 Ca 0.05 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 2k3o h ASN 109 Cb 0.58 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2k3o h ASN 109 CO 0.04 0.94 0.07 0.00 -1.65 0.00 0.00 177.43 176.83 2k3o h ALA 110 N 1.14 0.38 -0.46 -0.83 0.00 -0.65 -0.16 119.26 118.68 2k3o h ALA 110 Ca 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2k3o h ALA 110 Cb 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k3o h ALA 110 CO 0.04 0.04 0.04 -0.07 0.00 0.00 0.00 179.25 179.30 2k3o h LEU 111 N 0.31 0.69 -0.64 0.00 3.38 -1.04 -2.03 115.31 115.97 2k3o h LEU 111 Ca 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2k3o h LEU 111 Cb 0.29 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2k3o h LEU 111 CO 0.00 0.73 0.30 -1.28 0.09 0.00 0.00 178.44 178.29 2k3o h SER 112 N 0.69 0.84 -0.41 -0.43 0.87 -0.65 0.15 113.55 114.62 2k3o h SER 112 Ca 0.15 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2k3o h SER 112 Cb 0.37 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 2k3o h SER 112 CO 0.01 0.74 0.14 0.44 -0.53 0.00 0.00 176.83 177.63 2k3o h ASP 113 N 0.88 0.14 0.52 6.23 3.32 -0.80 -0.12 116.42 126.60 2k3o h ASP 113 Ca 0.22 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 2k3o h ASP 113 Cb 0.13 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2k3o h ASP 113 CO -0.03 0.12 -0.54 0.28 -1.72 0.00 0.00 179.24 177.35 2k3o h SER 114 N 0.30 0.02 0.14 6.45 0.02 -1.06 -0.80 113.55 118.62 2k3o h SER 114 Ca 0.19 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.89 2k3o h SER 114 Cb 0.18 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2k3o h SER 114 CO -0.20 0.56 -0.95 0.00 -1.14 0.00 0.00 176.83 175.10 2k3o h ALA 115 N 1.44 0.28 -0.81 3.77 0.00 -0.46 0.12 119.26 123.60 2k3o h ALA 115 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2k3o h ALA 115 Cb 0.96 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2k3o h ALA 115 CO 0.07 0.74 0.42 0.00 0.00 0.00 0.00 179.25 180.49 2k3o h ALA 116 N 0.60 1.21 -0.29 0.00 0.00 -0.96 -2.42 119.26 117.40 2k3o h ALA 116 Ca -0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2k3o h ALA 116 Cb 1.58 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2k3o h ALA 116 CO 0.18 0.62 -0.06 -0.97 0.00 0.00 0.00 179.25 179.02 2k3o h ASN 117 N 1.15 0.44 -0.19 0.00 -0.73 -1.03 -2.60 115.58 112.62 2k3o h ASN 117 Ca 0.28 -0.09 0.06 0.00 1.87 0.00 0.00 56.30 58.42 2k3o h ASN 117 Cb 0.06 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 2k3o h ASN 117 CO -0.04 0.56 0.14 -1.28 -0.37 0.00 0.00 177.43 176.43 2k3o h SER 118 N 0.44 0.00 -0.02 1.15 0.87 -0.46 -1.34 113.55 114.19 2k3o h SER 118 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2k3o h SER 118 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k3o h SER 118 CO 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.32 2k3o n ALA 119 N -2.57 2.62 -0.04 6.23 0.00 -0.98 -4.04 120.51 121.72 2k3o n ALA 119 Ca 0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 2k3o n ALA 119 Cb 0.28 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2k3o n ALA 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3o h VAL 120 N 0.42 0.85 -0.15 0.00 2.07 -1.30 -2.01 116.25 116.13 2k3o h VAL 120 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k3o h VAL 120 Cb 0.09 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2k3o h VAL 120 CO 0.00 0.01 0.00 -1.20 0.02 0.00 0.00 177.57 176.40 2k3o n SER 121 N -5.15 2.00 0.00 0.57 7.64 -1.26 -4.96 113.62 112.47 2k3o n SER 121 Ca -0.02 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.13 2k3o n SER 121 Cb 0.11 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2k3o n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k3o n GLY 122 N 1.22 0.27 2.30 0.23 0.00 -0.76 -3.17 105.19 105.28 2k3o n GLY 122 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2k3o n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k3o n ASN 123 N 0.00 -3.60 0.00 1.61 2.85 -1.26 -4.81 115.26 110.06 2k3o n ASN 123 Ca 0.00 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 2k3o n ASN 123 Cb 0.00 -3.15 0.00 0.00 1.24 0.00 0.00 39.78 37.87 2k3o n ASN 123 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k3o n TYR 124 N -2.94 0.00 -0.46 1.20 4.11 -1.20 -4.65 117.16 113.22 2k3o n TYR 124 Ca -0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.66 2k3o n TYR 124 Cb 0.55 0.00 0.16 0.00 -0.00 0.00 0.00 39.34 40.05 2k3o n TYR 124 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2k3o n LEU 125 N -0.15 5.22 0.00 -3.48 4.77 -1.19 -4.27 117.00 117.90 2k3o n LEU 125 Ca 0.00 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 2k3o n LEU 125 Cb 0.00 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2k3o n LEU 125 CO 0.00 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2k3o n GLY 126 N -0.35 0.04 3.85 -0.72 0.00 -1.26 -5.11 105.19 101.64 2k3o n GLY 126 Ca 0.35 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 2k3o n GLY 126 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k3o s VAL 127 N 0.00 4.89 -0.34 1.61 -7.23 -1.26 -4.72 120.40 113.35 2k3o s VAL 127 Ca 0.00 0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 60.91 2k3o s VAL 127 Cb 0.00 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.22 2k3o s VAL 127 CO 0.00 0.24 0.26 -1.20 -0.31 0.00 0.00 175.10 174.09 2k3o n SER 128 N 0.79 -2.11 -4.56 4.85 7.64 -1.26 -3.86 113.62 115.11 2k3o n SER 128 Ca -0.05 -0.39 -0.22 0.00 1.01 0.00 0.00 58.87 59.22 2k3o n SER 128 Cb 0.52 -0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 2k3o n SER 128 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k3o s GLN 129 N -3.02 1.81 0.00 1.43 2.00 -1.26 -4.69 119.66 115.93 2k3o s GLN 129 Ca 0.02 0.75 0.00 0.00 -2.00 0.00 0.00 55.36 54.13 2k3o s GLN 129 Cb -0.00 -4.73 0.00 0.00 0.80 0.00 0.00 33.01 29.08 2k3o s GLN 129 CO 0.39 -4.02 0.00 -1.71 -0.50 0.00 0.00 175.29 169.45