#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 0.20 -0.11 7.33 4.02 -1.26 -4.02 117.16 123.32 2k3o n TYR 3 Ca 0.00 -0.52 0.14 0.00 -0.01 0.00 0.00 57.90 57.51 2k3o n TYR 3 Cb 0.00 -0.06 0.53 0.00 -0.02 0.00 0.00 39.34 39.79 2k3o n TYR 3 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2k3o h SER 4 N 0.27 0.33 0.09 7.72 0.87 -1.95 0.21 113.55 121.09 2k3o h SER 4 Ca -0.08 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2k3o h SER 4 Cb 0.26 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2k3o h SER 4 CO 0.14 0.18 -0.28 -1.28 -0.53 0.00 0.00 176.83 175.06 2k3o h SER 5 N 0.36 0.30 -0.20 6.23 0.87 -1.95 -1.52 113.55 117.64 2k3o h SER 5 Ca 0.31 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2k3o h SER 5 Cb 0.73 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2k3o h SER 5 CO -0.08 0.58 -0.14 0.00 -0.53 0.00 0.00 176.83 176.66 2k3o h ALA 6 N 1.45 0.28 -0.36 6.23 0.00 -1.33 -0.77 119.26 124.76 2k3o h ALA 6 Ca 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.71 2k3o h ALA 6 Cb 0.63 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2k3o h ALA 6 CO 0.05 0.16 -0.22 0.35 0.00 0.00 0.00 179.25 179.58 2k3o h PHE 7 N 0.12 -0.58 0.00 0.00 3.04 -1.21 -1.64 116.94 116.66 2k3o h PHE 7 Ca 0.04 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 2k3o h PHE 7 Cb 0.65 0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.47 2k3o h PHE 7 CO 0.07 -0.30 -0.06 0.00 -2.02 0.00 0.00 178.31 176.00 2k3o h ALA 8 N 1.02 1.28 0.26 2.41 0.00 -1.12 -0.35 119.26 122.76 2k3o h ALA 8 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2k3o h ALA 8 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k3o h ALA 8 CO -0.47 0.08 -0.13 1.96 0.00 0.00 0.00 179.25 180.70 2k3o h GLN 9 N 0.00 -0.34 -0.42 0.00 1.08 -0.15 0.89 115.11 116.18 2k3o h GLN 9 Ca -0.00 0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.08 2k3o h GLN 9 Cb 0.21 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2k3o h GLN 9 CO 0.01 0.00 -0.31 0.00 -0.95 0.00 0.00 178.83 177.58 2k3o h ALA 10 N -0.21 0.66 -0.81 3.87 0.00 -1.41 -2.61 119.26 118.75 2k3o h ALA 10 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k3o h ALA 10 Cb 0.50 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2k3o h ALA 10 CO 0.06 0.67 0.52 0.00 0.00 0.00 0.00 179.25 180.50 2k3o h ALA 11 N 0.85 1.03 -0.38 0.00 0.00 -1.14 -0.51 119.26 119.12 2k3o h ALA 11 Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2k3o h ALA 11 Cb 0.89 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2k3o h ALA 11 CO 0.08 0.47 0.14 0.77 0.00 0.00 0.00 179.25 180.71 2k3o h SER 12 N 1.11 0.16 -0.31 0.00 0.02 -0.69 0.18 113.55 114.02 2k3o h SER 12 Ca 0.30 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2k3o h SER 12 Cb -0.10 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2k3o h SER 12 CO -0.06 0.13 0.09 -1.28 -1.14 0.00 0.00 176.83 174.57 2k3o h SER 13 N 0.30 0.46 -0.04 3.07 0.87 -1.09 -0.56 113.55 116.56 2k3o h SER 13 Ca 0.17 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2k3o h SER 13 Cb 0.14 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2k3o h SER 13 CO -0.17 0.55 0.02 -1.28 -0.53 0.00 0.00 176.83 175.42 2k3o h SER 14 N 0.34 0.05 -0.18 6.23 0.87 -0.92 -1.87 113.55 118.07 2k3o h SER 14 Ca 0.10 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 2k3o h SER 14 Cb 0.26 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2k3o h SER 14 CO -0.00 0.17 -0.30 0.17 -0.53 0.00 0.00 176.83 176.34 2k3o h LEU 15 N -0.07 0.70 -1.27 2.23 8.10 -0.65 -2.60 115.31 121.74 2k3o h LEU 15 Ca 0.01 -0.27 -0.07 0.00 0.11 0.00 0.00 57.88 57.66 2k3o h LEU 15 Cb 0.13 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.15 2k3o h LEU 15 CO -0.00 0.95 -0.29 0.00 -4.11 0.00 0.00 178.44 174.99 2k3o h ALA 16 N 1.10 1.39 0.00 0.17 0.00 -1.06 -1.21 119.26 119.64 2k3o h ALA 16 Ca 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2k3o h ALA 16 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k3o h ALA 16 CO 0.07 0.44 -0.08 1.15 0.00 0.00 0.00 179.25 180.82 2k3o h THR 17 N 0.11 0.31 -3.53 0.00 2.02 -0.99 -3.38 112.91 107.44 2k3o h THR 17 Ca 0.02 -0.50 -0.80 0.00 0.77 0.00 0.00 66.41 65.90 2k3o h THR 17 Cb 0.58 1.38 -0.28 0.00 -1.74 0.00 0.00 68.15 68.08 2k3o h THR 17 CO 0.04 0.08 0.44 -0.24 0.37 0.00 0.00 175.52 176.21 2k3o n SER 18 N -3.36 5.49 0.14 4.18 2.88 -0.46 -4.89 113.62 117.60 2k3o n SER 18 Ca -0.01 -3.05 0.18 0.00 -1.33 0.00 0.00 58.87 54.66 2k3o n SER 18 Cb 0.25 -1.36 0.77 0.00 -0.75 0.00 0.00 64.21 63.12 2k3o n SER 18 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2k3o h SER 19 N 6.58 0.00 -0.54 -3.46 0.87 -1.76 -0.78 113.55 114.46 2k3o h SER 19 Ca 0.18 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2k3o h SER 19 Cb 0.86 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 2k3o h SER 19 CO 1.02 0.00 0.36 0.00 -0.53 0.00 0.00 176.83 177.68 2k3o h ALA 20 N 1.71 1.72 -0.15 6.23 0.00 -1.92 0.50 119.26 127.35 2k3o h ALA 20 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k3o h ALA 20 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k3o h ALA 20 CO -0.00 0.23 0.04 0.82 0.00 0.00 0.00 179.25 180.34 2k3o h ILE 21 N 0.63 1.18 -0.22 0.00 2.04 -1.45 -0.68 117.51 119.02 2k3o h ILE 21 Ca 0.21 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2k3o h ILE 21 Cb 0.07 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2k3o h ILE 21 CO -0.05 0.17 0.15 -1.28 0.00 0.00 0.00 178.15 177.13 2k3o h SER 22 N 0.06 0.25 -0.84 1.72 0.87 -1.43 -2.39 113.55 111.78 2k3o h SER 22 Ca 0.05 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2k3o h SER 22 Cb 0.23 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2k3o h SER 22 CO -0.00 0.18 0.46 0.03 -0.53 0.00 0.00 176.83 176.97 2k3o h ARG 23 N 0.30 1.18 -0.55 2.24 3.08 -0.92 -0.55 114.38 119.16 2k3o h ARG 23 Ca 0.08 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.06 2k3o h ARG 23 Cb -0.03 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.73 2k3o h ARG 23 CO -0.02 0.87 0.25 0.00 -1.07 0.00 0.00 179.97 180.00 2k3o h ALA 24 N 1.32 0.70 -0.04 0.04 0.00 -0.86 0.66 119.26 121.09 2k3o h ALA 24 Ca 0.30 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 2k3o h ALA 24 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k3o h ALA 24 CO -0.05 -0.12 -0.67 0.74 0.00 0.00 0.00 179.25 179.15 2k3o h PHE 25 N 0.47 0.23 0.00 0.00 0.04 -1.04 -2.97 116.94 113.66 2k3o h PHE 25 Ca 0.25 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 2k3o h PHE 25 Cb 0.22 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 2k3o h PHE 25 CO -0.12 0.78 -0.44 0.00 -0.60 0.00 0.00 178.31 177.93 2k3o h ALA 26 N 1.19 0.95 -0.23 2.45 0.00 -0.84 -3.31 119.26 119.48 2k3o h ALA 26 Ca -0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2k3o h ALA 26 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k3o h ALA 26 CO 0.10 0.55 -0.40 1.03 0.00 0.00 0.00 179.25 180.53 2k3o h SER 27 N 0.00 0.75 -3.52 0.00 0.87 -0.74 -3.43 113.55 107.47 2k3o h SER 27 Ca -0.00 -0.53 -0.52 0.00 -1.23 0.00 0.00 61.79 59.50 2k3o h SER 27 Cb 0.99 -0.21 0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2k3o h SER 27 CO 0.06 1.14 0.62 0.68 -0.53 0.00 0.00 176.83 178.79 2k3o s VAL 28 N -4.11 3.21 -0.08 2.23 -7.23 -1.14 -4.80 120.40 108.47 2k3o s VAL 28 Ca -0.12 1.05 0.12 0.00 -1.81 0.00 0.00 61.98 61.21 2k3o s VAL 28 Cb 0.08 -3.67 0.18 0.00 0.56 0.00 0.00 36.38 33.53 2k3o s VAL 28 CO 0.84 0.18 1.08 -1.54 -0.31 0.00 0.00 175.10 175.35 2k3o n SER 29 N 2.17 2.09 -3.87 4.85 3.41 -1.26 -4.77 113.62 116.24 2k3o n SER 29 Ca 0.04 -2.66 -0.13 0.00 -0.26 0.00 0.00 58.87 55.86 2k3o n SER 29 Cb 0.43 -0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 2k3o n SER 29 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k3o s SER 30 N -2.16 0.14 0.29 4.04 0.15 -1.26 -4.83 113.70 110.07 2k3o s SER 30 Ca 0.20 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 2k3o s SER 30 Cb 0.18 -0.03 0.41 0.00 -1.71 0.00 0.00 66.02 64.86 2k3o s SER 30 CO 0.02 -0.01 1.95 0.00 1.20 0.00 0.00 173.24 176.40 2k3o h ALA 31 N 6.32 1.37 -0.63 5.45 0.00 -1.94 -0.73 119.26 129.10 2k3o h ALA 31 Ca -0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k3o h ALA 31 Cb 1.19 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2k3o h ALA 31 CO 0.50 0.57 0.31 0.77 0.00 0.00 0.00 179.25 181.40 2k3o h SER 32 N 1.14 0.82 -0.62 0.00 0.02 -1.96 0.73 113.55 113.69 2k3o h SER 32 Ca 0.31 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2k3o h SER 32 Cb -0.11 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 2k3o h SER 32 CO -0.06 0.72 0.21 0.00 -1.14 0.00 0.00 176.83 176.55 2k3o h ALA 33 N 1.14 0.81 -0.04 3.77 0.00 -1.84 0.21 119.26 123.31 2k3o h ALA 33 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k3o h ALA 33 Cb 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k3o h ALA 33 CO -0.03 0.46 0.02 0.00 0.00 0.00 0.00 179.25 179.70 2k3o h ALA 34 N 1.07 0.05 -0.47 0.00 0.00 -0.99 -0.26 119.26 118.66 2k3o h ALA 34 Ca 0.20 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2k3o h ALA 34 Cb 0.27 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2k3o h ALA 34 CO -0.01 -0.41 0.16 0.77 0.00 0.00 0.00 179.25 179.77 2k3o h SER 35 N -0.03 0.16 0.26 0.00 0.02 -0.69 0.30 113.55 113.57 2k3o h SER 35 Ca 0.01 0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 2k3o h SER 35 Cb 0.09 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2k3o h SER 35 CO -0.00 0.12 -0.61 0.28 -1.14 0.00 0.00 176.83 175.48 2k3o h SER 36 N 0.34 0.40 0.22 3.07 0.02 -0.90 0.21 113.55 116.91 2k3o h SER 36 Ca 0.22 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3o h SER 36 Cb 0.23 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k3o h SER 36 CO -0.23 0.91 -0.11 0.25 -1.14 0.00 0.00 176.83 176.51 2k3o h LEU 37 N 0.26 -0.26 -1.52 5.07 7.12 -0.78 -1.31 115.31 123.89 2k3o h LEU 37 Ca -0.01 -0.04 -0.05 0.00 0.13 0.00 0.00 57.88 57.91 2k3o h LEU 37 Cb 1.14 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 2k3o h LEU 37 CO 0.10 -0.13 -0.24 0.00 -0.13 0.00 0.00 178.44 178.04 2k3o h ALA 38 N 0.40 1.35 -0.04 1.25 0.00 -0.85 -0.85 119.26 120.52 2k3o h ALA 38 Ca -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k3o h ALA 38 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k3o h ALA 38 CO 0.05 0.30 0.02 -0.92 0.00 0.00 0.00 179.25 178.70 2k3o h TYR 39 N 0.00 0.05 -0.20 0.00 3.20 -0.45 0.15 116.97 119.73 2k3o h TYR 39 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k3o h TYR 39 Cb 0.51 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2k3o h TYR 39 CO 0.00 0.18 0.11 -0.91 -1.64 0.00 0.00 178.16 175.90 2k3o h ASN 40 N -0.09 0.24 -0.59 -2.11 4.21 -0.53 0.25 115.58 116.96 2k3o h ASN 40 Ca 0.01 -0.07 0.05 0.00 1.21 0.00 0.00 56.30 57.50 2k3o h ASN 40 Cb 0.15 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.24 2k3o h ASN 40 CO -0.00 0.24 0.32 0.40 -1.29 0.00 0.00 177.43 177.11 2k3o h ILE 41 N 0.22 0.98 -0.27 2.81 2.04 -1.21 -2.15 117.51 119.93 2k3o h ILE 41 Ca 0.07 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 2k3o h ILE 41 Cb 0.05 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2k3o h ILE 41 CO -0.01 0.11 -0.48 1.23 0.00 0.00 0.00 178.15 179.00 2k3o h GLY 42 N 0.62 0.80 0.95 5.37 0.00 -0.41 -0.76 103.07 109.63 2k3o h GLY 42 Ca 0.26 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 2k3o h GLY 42 CO -0.16 0.79 0.17 1.41 0.00 0.00 0.00 176.54 178.75 2k3o h LEU 43 N 0.58 0.50 -0.25 3.11 3.38 -0.42 0.18 115.31 122.39 2k3o h LEU 43 Ca 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2k3o h LEU 43 Cb 1.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2k3o h LEU 43 CO 0.10 0.50 0.06 -1.28 0.09 0.00 0.00 178.44 177.91 2k3o h SER 44 N 0.47 0.39 -0.27 -0.43 0.87 -1.32 -0.40 113.55 112.86 2k3o h SER 44 Ca 0.13 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2k3o h SER 44 Cb 0.14 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2k3o h SER 44 CO -0.01 0.53 0.12 0.00 -0.53 0.00 0.00 176.83 176.94 2k3o h ALA 45 N 0.88 0.32 -0.69 6.23 0.00 -1.09 -1.32 119.26 123.59 2k3o h ALA 45 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k3o h ALA 45 Cb 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2k3o h ALA 45 CO 0.00 -0.28 0.43 0.00 0.00 0.00 0.00 179.25 179.40 2k3o h ALA 46 N 1.15 0.88 -0.75 0.00 0.00 -0.53 0.49 119.26 120.50 2k3o h ALA 46 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k3o h ALA 46 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2k3o h ALA 46 CO -0.09 0.34 0.37 0.00 0.00 0.00 0.00 179.25 179.87 2k3o h ARG 47 N 0.94 1.07 -0.49 0.00 3.08 -0.93 -0.32 114.38 117.73 2k3o h ARG 47 Ca 0.25 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 2k3o h ARG 47 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 2k3o h ARG 47 CO -0.05 0.82 -0.04 0.77 -1.07 0.00 0.00 179.97 180.41 2k3o h SER 48 N 1.04 0.82 1.38 7.04 0.02 -0.76 -2.97 113.55 120.13 2k3o h SER 48 Ca 0.26 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2k3o h SER 48 Cb 0.10 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2k3o h SER 48 CO -0.03 0.91 0.00 0.18 -1.14 0.00 0.00 176.83 176.75 2k3o n LEU 49 N -4.19 0.71 0.00 5.07 4.77 0.12 -4.96 117.00 118.52 2k3o n LEU 49 Ca 0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2k3o n LEU 49 Cb 0.33 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2k3o n LEU 49 CO 0.43 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2k3o n GLY 50 N 1.26 0.38 3.72 -0.72 0.00 -0.28 -5.03 105.19 104.52 2k3o n GLY 50 Ca 0.06 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 2.77 -1.52 -0.61 -1.09 -0.31 -4.92 121.20 113.52 2k3o s ILE 51 Ca 0.00 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 2k3o s ILE 51 Cb 0.00 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 2k3o s ILE 51 CO 0.00 0.05 0.60 0.00 -1.23 0.00 0.00 174.94 174.36 2k3o n ALA 52 N 3.69 2.23 -2.68 9.38 0.00 -1.26 -3.70 120.51 128.18 2k3o n ALA 52 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 2k3o n ALA 52 Cb 0.40 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 18.94 2k3o n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k3o n SER 53 N -0.21 -1.45 -0.28 0.00 7.64 -1.26 -5.04 113.62 113.02 2k3o n SER 53 Ca 0.00 -2.10 0.09 0.00 1.01 0.00 0.00 58.87 57.87 2k3o n SER 53 Cb 0.10 1.13 0.23 0.00 -1.01 0.00 0.00 64.21 64.66 2k3o n SER 53 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2k3o h ASP 54 N 2.67 0.18 -0.97 6.43 2.03 -1.91 -0.91 116.42 123.94 2k3o h ASP 54 Ca -0.26 0.14 0.14 0.00 -0.73 0.00 0.00 57.03 56.32 2k3o h ASP 54 Cb 1.19 0.16 -0.08 0.00 -0.83 0.00 0.00 39.33 39.76 2k3o h ASP 54 CO -0.03 0.00 0.61 0.00 -1.03 0.00 0.00 179.24 178.79 2k3o h THR 55 N 0.35 0.86 0.14 1.15 1.03 -1.95 0.91 112.91 115.40 2k3o h THR 55 Ca 0.47 -0.29 -0.27 0.00 -0.01 0.00 0.00 66.41 66.31 2k3o h THR 55 Cb 0.83 -0.07 0.03 0.00 -1.07 0.00 0.00 68.15 67.87 2k3o h THR 55 CO -0.50 0.16 -1.13 0.00 -0.01 0.00 0.00 175.52 174.04 2k3o h ALA 56 N 1.57 -0.05 0.65 0.00 0.00 -1.62 -0.33 119.26 119.48 2k3o h ALA 56 Ca 0.49 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2k3o h ALA 56 Cb 0.63 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k3o h ALA 56 CO -0.26 0.58 -0.32 1.25 0.00 0.00 0.00 179.25 180.50 2k3o h LEU 57 N 0.07 -0.76 -1.14 0.00 6.46 -1.14 -0.50 115.31 118.30 2k3o h LEU 57 Ca -0.18 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2k3o h LEU 57 Cb 1.84 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 41.92 2k3o h LEU 57 CO 0.21 -0.54 0.58 0.00 -0.62 0.00 0.00 178.44 178.08 2k3o h ALA 58 N -0.53 1.40 -0.32 1.25 0.00 -0.90 -0.07 119.26 120.09 2k3o h ALA 58 Ca -0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2k3o h ALA 58 Cb 0.68 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k3o h ALA 58 CO 0.14 0.55 -0.14 0.78 0.00 0.00 0.00 179.25 180.59 2k3o h GLY 59 N 1.16 0.71 1.04 0.00 0.00 -1.03 0.13 103.07 105.08 2k3o h GLY 59 Ca 0.33 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2k3o h GLY 59 CO -0.08 0.57 0.24 0.00 0.00 0.00 0.00 176.54 177.28 2k3o h ALA 60 N 0.77 0.92 -0.46 3.60 0.00 -0.63 -0.19 119.26 123.28 2k3o h ALA 60 Ca 0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2k3o h ALA 60 Cb 0.66 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k3o h ALA 60 CO 0.04 0.58 -0.10 1.25 0.00 0.00 0.00 179.25 181.02 2k3o h LEU 61 N 1.03 0.88 -0.46 0.00 5.85 -1.00 -2.09 115.31 119.53 2k3o h LEU 61 Ca 0.23 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2k3o h LEU 61 Cb 0.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2k3o h LEU 61 CO -0.01 1.04 0.28 0.00 -0.34 0.00 0.00 178.44 179.40 2k3o h ALA 62 N 0.88 0.58 -0.73 1.25 0.00 -0.53 -0.79 119.26 119.92 2k3o h ALA 62 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2k3o h ALA 62 Cb 0.64 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2k3o h ALA 62 CO 0.04 -0.03 0.48 1.96 0.00 0.00 0.00 179.25 181.70 2k3o h GLN 63 N 0.56 0.87 -0.07 0.00 1.08 -0.96 0.14 115.11 116.73 2k3o h GLN 63 Ca 0.18 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2k3o h GLN 63 Cb -0.00 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.23 2k3o h GLN 63 CO -0.07 0.58 0.01 0.00 -0.95 0.00 0.00 178.83 178.40 2k3o h ALA 64 N 1.57 0.09 -0.44 3.87 0.00 -0.73 -2.07 119.26 121.54 2k3o h ALA 64 Ca 0.28 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2k3o h ALA 64 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2k3o h ALA 64 CO -0.08 -0.28 0.21 0.28 0.00 0.00 0.00 179.25 179.39 2k3o h VAL 65 N -0.12 0.94 0.00 0.00 2.07 -0.79 -0.52 116.25 117.83 2k3o h VAL 65 Ca 0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2k3o h VAL 65 Cb 0.26 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2k3o h VAL 65 CO 0.00 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.28 2k3o n GLY 66 N -1.23 -0.93 0.23 2.17 0.00 0.00 -2.89 105.19 102.54 2k3o n GLY 66 Ca 0.03 0.11 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2k3o n GLY 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k3o h GLY 67 N 0.85 0.63 0.29 -0.02 0.00 -0.34 -3.25 103.07 101.22 2k3o h GLY 67 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2k3o h GLY 67 CO 0.00 0.56 -0.13 -2.08 0.00 0.00 0.00 176.54 174.89 2k3o h VAL 68 N 0.48 1.62 0.00 4.60 2.07 -1.60 -3.51 116.25 119.91 2k3o h VAL 68 Ca 0.04 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2k3o h VAL 68 Cb 0.88 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 2k3o h VAL 68 CO 0.08 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.81 2k3o n GLY 69 N 1.16 -0.47 3.74 2.17 0.00 -1.23 -5.00 105.19 105.56 2k3o n GLY 69 Ca -0.10 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.37 2.57 -0.35 4.61 0.00 -1.26 -4.22 121.76 120.73 2k3o s ALA 70 Ca 0.00 1.27 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 2k3o s ALA 70 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2k3o s ALA 70 CO 0.00 -1.51 0.30 0.41 0.00 0.00 0.00 175.76 174.97 2k3o n GLY 71 N 0.82 0.22 3.23 0.00 0.00 -1.26 -4.98 105.19 103.22 2k3o n GLY 71 Ca 0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.12 1.36 0.52 4.61 0.00 -1.26 -5.16 121.76 118.72 2k3o s ALA 72 Ca 0.07 -1.77 -0.22 0.00 0.00 0.00 0.00 51.96 50.04 2k3o s ALA 72 Cb -0.01 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.42 2k3o s ALA 72 CO 0.23 -0.59 1.30 0.45 0.00 0.00 0.00 175.76 177.16 2k3o s SER 73 N -3.21 5.51 0.25 0.00 0.15 -1.26 -4.91 113.70 110.22 2k3o s SER 73 Ca 0.39 2.63 -0.05 0.00 0.70 0.00 0.00 55.95 59.62 2k3o s SER 73 Cb 0.06 -2.63 0.28 0.00 -1.71 0.00 0.00 66.02 62.03 2k3o s SER 73 CO 0.15 -1.40 1.92 0.00 1.20 0.00 0.00 173.24 175.11 2k3o h ALA 74 N 1.60 1.30 -0.29 5.45 0.00 -1.95 -1.81 119.26 123.57 2k3o h ALA 74 Ca -0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2k3o h ALA 74 Cb 1.29 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2k3o h ALA 74 CO 0.58 0.64 0.10 0.77 0.00 0.00 0.00 179.25 181.34 2k3o h SER 75 N 1.34 0.36 -0.04 0.00 0.02 -1.97 0.01 113.55 113.28 2k3o h SER 75 Ca 0.38 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 2k3o h SER 75 Cb -0.11 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2k3o h SER 75 CO -0.09 0.34 0.00 0.00 -1.14 0.00 0.00 176.83 175.94 2k3o h ALA 76 N 1.71 0.05 -0.31 3.77 0.00 -1.71 0.33 119.26 123.11 2k3o h ALA 76 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k3o h ALA 76 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k3o h ALA 76 CO -0.01 -0.29 0.18 1.88 0.00 0.00 0.00 179.25 181.01 2k3o h TYR 77 N -0.23 0.33 0.00 0.00 0.05 -1.35 -2.24 116.97 113.53 2k3o h TYR 77 Ca 0.01 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.72 2k3o h TYR 77 Cb 0.32 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2k3o h TYR 77 CO 0.03 0.19 -0.37 0.00 -1.05 0.00 0.00 178.16 176.96 2k3o h ALA 78 N 1.14 1.16 -0.20 3.88 0.00 -0.95 -1.86 119.26 122.43 2k3o h ALA 78 Ca 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k3o h ALA 78 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k3o h ALA 78 CO -0.06 0.47 0.10 -0.91 0.00 0.00 0.00 179.25 178.84 2k3o h ASN 79 N 0.00 0.26 -0.75 0.00 4.21 -0.10 0.17 115.58 119.37 2k3o h ASN 79 Ca -0.00 -0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 2k3o h ASN 79 Cb 0.77 -0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.86 2k3o h ASN 79 CO 0.05 0.30 0.43 0.00 -1.29 0.00 0.00 177.43 176.92 2k3o h ALA 80 N 0.97 1.33 -0.06 -0.83 0.00 -1.02 0.15 119.26 119.80 2k3o h ALA 80 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k3o h ALA 80 Cb 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2k3o h ALA 80 CO -0.01 0.56 -0.03 0.82 0.00 0.00 0.00 179.25 180.58 2k3o h ILE 81 N 1.05 1.33 -0.51 0.00 2.04 -1.19 0.49 117.51 120.72 2k3o h ILE 81 Ca 0.27 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 2k3o h ILE 81 Cb -0.00 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2k3o h ILE 81 CO -0.05 0.29 0.03 0.00 0.00 0.00 0.00 178.15 178.42 2k3o h ALA 82 N 0.61 1.08 -0.51 1.87 0.00 -0.49 0.13 119.26 121.95 2k3o h ALA 82 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2k3o h ALA 82 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k3o h ALA 82 CO 0.01 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 2k3o h ARG 83 N 0.79 1.00 -0.09 0.00 2.47 -0.75 0.00 114.38 117.81 2k3o h ARG 83 Ca 0.16 -0.40 -0.04 0.00 -1.26 0.00 0.00 59.98 58.44 2k3o h ARG 83 Cb 0.44 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2k3o h ARG 83 CO 0.02 1.08 -0.09 0.00 0.56 0.00 0.00 179.97 181.54 2k3o h ALA 84 N 0.89 0.13 -0.84 0.04 0.00 -0.52 0.22 119.26 119.18 2k3o h ALA 84 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k3o h ALA 84 Cb 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2k3o h ALA 84 CO 0.06 -0.05 0.56 0.00 0.00 0.00 0.00 179.25 179.81 2k3o h ALA 85 N 0.57 1.07 0.18 0.00 0.00 -0.83 -0.62 119.26 119.63 2k3o h ALA 85 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k3o h ALA 85 Cb 0.60 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k3o h ALA 85 CO 0.02 0.47 -0.09 0.78 0.00 0.00 0.00 179.25 180.43 2k3o h GLY 86 N 1.13 -0.25 1.37 0.00 0.00 -0.95 -1.85 103.07 102.53 2k3o h GLY 86 Ca 0.31 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 2k3o h GLY 86 CO -0.07 -0.09 0.28 0.06 0.00 0.00 0.00 176.54 176.72 2k3o h GLN 87 N -0.35 0.82 -0.20 4.80 3.07 -0.41 0.96 115.11 123.79 2k3o h GLN 87 Ca -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2k3o h GLN 87 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 2k3o h GLN 87 CO 0.04 0.63 0.05 0.35 0.09 0.00 0.00 178.83 180.00 2k3o h PHE 88 N 0.82 0.34 0.00 0.06 3.57 -1.06 -0.95 116.94 119.71 2k3o h PHE 88 Ca 0.20 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2k3o h PHE 88 Cb 0.09 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2k3o h PHE 88 CO 0.01 0.43 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.30 2k3o h LEU 89 N 0.14 0.00 -0.09 0.59 3.38 -0.96 -1.27 115.31 117.10 2k3o h LEU 89 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2k3o h LEU 89 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k3o h LEU 89 CO 0.00 0.15 -0.07 0.00 0.09 0.00 0.00 178.44 178.61 2k3o h ALA 90 N 1.85 0.13 0.00 1.53 0.00 -0.49 0.02 119.26 122.29 2k3o h ALA 90 Ca -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2k3o h ALA 90 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k3o h ALA 90 CO 0.02 -0.06 -0.50 1.79 0.00 0.00 0.00 179.25 180.50 2k3o h THR 91 N -0.19 1.35 0.00 0.00 1.35 -1.05 -2.12 112.91 112.26 2k3o h THR 91 Ca 0.02 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 2k3o h THR 91 Cb 0.57 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2k3o h THR 91 CO 0.02 0.49 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 2k3o n GLN 92 N -3.93 0.33 -1.93 4.72 1.13 -0.49 -4.93 117.38 112.28 2k3o n GLN 92 Ca -0.01 0.05 -0.18 0.00 -1.94 0.00 0.00 57.00 54.92 2k3o n GLN 92 Cb 0.52 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 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 0.83 0.73 0.11 1.08 0.00 -0.80 -4.90 105.19 102.23 2k3o n GLY 93 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 1.29 -3.51 1.61 2.07 -1.26 -3.43 116.25 113.02 2k3o h VAL 94 Ca -0.41 -2.72 -0.56 0.00 0.82 0.00 0.00 66.70 63.84 2k3o h VAL 94 Cb 1.26 2.57 -0.06 0.00 -1.52 0.00 0.00 31.29 33.53 2k3o h VAL 94 CO 0.53 0.71 0.98 -0.76 0.02 0.00 0.00 177.57 179.06 2k3o s LEU 95 N -6.68 3.64 0.18 2.57 1.43 -1.08 -4.85 118.68 113.90 2k3o s LEU 95 Ca 0.02 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2k3o s LEU 95 Cb 0.09 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 2k3o s LEU 95 CO 0.78 -1.30 -0.01 0.20 0.23 0.00 0.00 176.35 176.24 2k3o s ASN 96 N 3.00 1.44 0.28 2.29 0.01 -1.26 -4.91 114.94 115.80 2k3o s ASN 96 Ca 0.53 -1.16 0.17 0.00 -0.71 0.00 0.00 52.86 51.69 2k3o s ASN 96 Cb -0.10 0.07 0.93 0.00 0.41 0.00 0.00 41.25 42.56 2k3o s ASN 96 CO 0.31 -0.52 1.50 0.00 -1.51 0.00 0.00 177.10 176.87 2k3o n ALA 97 N -0.28 0.94 -0.12 0.60 0.00 -1.26 -1.29 120.51 119.10 2k3o n ALA 97 Ca -0.07 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 2k3o n ALA 97 Cb 0.63 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 0.62 0.00 0.00 2.07 -1.96 -3.44 116.25 113.54 2k3o h VAL 98 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k3o h VAL 98 Cb 0.13 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2k3o h VAL 98 CO 0.00 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.13 2k3o n ASN 99 N -5.28 0.00 -0.05 0.57 2.04 -1.05 -5.04 115.26 106.45 2k3o n ASN 99 Ca 0.02 0.00 0.11 0.00 -0.44 0.00 0.00 54.58 54.27 2k3o n ASN 99 Cb 0.22 0.00 0.50 0.00 -2.53 0.00 0.00 39.78 37.97 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 0.00 1.99 0.57 -2.53 0.00 -1.46 0.15 119.26 117.98 2k3o h ALA 100 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 100 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k3o h ALA 100 CO 0.00 -0.11 -0.27 1.03 0.00 0.00 0.00 179.25 179.90 2k3o h SER 101 N 0.39 -0.65 -0.57 0.00 0.87 -1.86 -2.96 113.55 108.78 2k3o h SER 101 Ca 0.25 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2k3o h SER 101 Cb 0.46 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2k3o h SER 101 CO -0.06 -0.25 0.38 0.28 -0.53 0.00 0.00 176.83 176.64 2k3o h SER 102 N -1.18 0.61 0.52 6.23 0.02 -1.78 0.93 113.55 118.89 2k3o h SER 102 Ca -0.08 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 2k3o h SER 102 Cb 0.59 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2k3o h SER 102 CO 0.13 0.43 -0.41 0.17 -1.14 0.00 0.00 176.83 176.01 2k3o h LEU 103 N 0.71 0.00 -1.38 5.07 8.10 -0.86 -2.86 115.31 124.09 2k3o h LEU 103 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.19 2k3o h LEU 103 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2k3o h LEU 103 CO -0.05 0.41 0.22 1.23 -4.11 0.00 0.00 178.44 176.14 2k3o h GLY 104 N 1.45 0.69 1.08 0.17 0.00 -0.65 -1.19 103.07 104.61 2k3o h GLY 104 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2k3o h GLY 104 CO 0.05 0.30 0.47 0.23 0.00 0.00 0.00 176.54 177.59 2k3o h SER 105 N 0.65 1.08 -0.51 0.19 0.87 -1.25 -0.26 113.55 114.32 2k3o h SER 105 Ca 0.16 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2k3o h SER 105 Cb 0.07 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2k3o h SER 105 CO -0.02 0.87 0.19 0.00 -0.53 0.00 0.00 176.83 177.33 2k3o h ALA 106 N 1.31 0.66 -0.35 6.23 0.00 -1.19 0.79 119.26 126.70 2k3o h ALA 106 Ca 0.30 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2k3o h ALA 106 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k3o h ALA 106 CO -0.05 0.28 -0.41 1.25 0.00 0.00 0.00 179.25 180.33 2k3o h LEU 107 N 0.68 0.96 -1.37 0.00 6.46 -1.35 -2.00 115.31 118.68 2k3o h LEU 107 Ca 0.17 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 2k3o h LEU 107 Cb 0.22 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 2k3o h LEU 107 CO -0.01 1.25 0.39 0.00 -0.62 0.00 0.00 178.44 179.45 2k3o h ALA 108 N 0.74 1.54 -0.11 1.25 0.00 -0.88 -0.17 119.26 121.63 2k3o h ALA 108 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2k3o h ALA 108 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k3o h ALA 108 CO 0.10 0.42 -0.32 -0.91 0.00 0.00 0.00 179.25 178.54 2k3o h ASN 109 N 0.83 0.21 -0.42 0.00 2.35 -0.75 0.82 115.58 118.62 2k3o h ASN 109 Ca 0.22 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2k3o h ASN 109 Cb -0.07 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2k3o h ASN 109 CO -0.05 0.53 0.03 0.00 -1.65 0.00 0.00 177.43 176.29 2k3o h ALA 110 N 1.49 0.57 -0.58 -0.83 0.00 -0.35 0.13 119.26 119.69 2k3o h ALA 110 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2k3o h ALA 110 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2k3o h ALA 110 CO 0.05 0.33 -0.06 -0.07 0.00 0.00 0.00 179.25 179.50 2k3o h LEU 111 N 0.57 1.06 -0.62 0.00 3.38 -0.96 -1.43 115.31 117.30 2k3o h LEU 111 Ca 0.12 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2k3o h LEU 111 Cb 0.44 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2k3o h LEU 111 CO 0.02 1.13 0.28 -1.28 0.09 0.00 0.00 178.44 178.68 2k3o h SER 112 N 0.96 0.83 0.02 -0.43 0.87 -0.78 0.88 113.55 115.89 2k3o h SER 112 Ca 0.16 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2k3o h SER 112 Cb 0.63 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2k3o h SER 112 CO 0.04 0.74 -0.15 0.44 -0.53 0.00 0.00 176.83 177.37 2k3o h ASP 113 N 0.85 -0.45 -0.73 6.23 3.32 -0.60 0.31 116.42 125.36 2k3o h ASP 113 Ca 0.21 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 2k3o h ASP 113 Cb 0.15 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2k3o h ASP 113 CO -0.02 -0.22 0.31 0.28 -1.72 0.00 0.00 179.24 177.87 2k3o h SER 114 N -0.27 1.00 -0.12 6.45 0.02 -1.04 0.90 113.55 120.50 2k3o h SER 114 Ca 0.05 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 2k3o h SER 114 Cb 0.32 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2k3o h SER 114 CO -0.14 0.88 -0.27 0.00 -1.14 0.00 0.00 176.83 176.16 2k3o h ALA 115 N 1.27 0.20 -0.54 3.77 0.00 -0.66 0.06 119.26 123.36 2k3o h ALA 115 Ca 0.25 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2k3o h ALA 115 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k3o h ALA 115 CO -0.02 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.36 2k3o h ALA 116 N 0.52 0.86 0.00 0.00 0.00 -0.92 -2.30 119.26 117.42 2k3o h ALA 116 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2k3o h ALA 116 Cb 0.87 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k3o h ALA 116 CO 0.06 0.65 -0.11 -0.97 0.00 0.00 0.00 179.25 178.89 2k3o h ASN 117 N 0.89 0.00 -0.12 0.00 -1.24 -0.82 -2.88 115.58 111.41 2k3o h ASN 117 Ca 0.15 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.19 2k3o h ASN 117 Cb 0.61 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 2k3o h ASN 117 CO 0.04 0.11 0.09 -1.28 -1.29 0.00 0.00 177.43 175.09 2k3o h SER 118 N 0.00 0.04 0.20 1.15 0.87 -0.37 0.22 113.55 115.65 2k3o h SER 118 Ca -0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k3o h SER 118 Cb 0.22 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2k3o h SER 118 CO 0.01 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.34 2k3o n ALA 119 N -2.55 1.21 -0.18 6.23 0.00 -1.09 -2.56 120.51 121.58 2k3o n ALA 119 Ca -0.00 0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 2k3o n ALA 119 Cb 0.18 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 0.00 1.10 0.00 0.00 2.07 -1.12 -2.56 116.25 115.73 2k3o h VAL 120 Ca 0.00 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2k3o h VAL 120 Cb 0.10 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2k3o h VAL 120 CO 0.00 0.12 -0.18 0.28 0.02 0.00 0.00 177.57 177.81 2k3o h SER 121 N 0.67 0.00 -6.44 0.57 0.02 -1.67 -3.47 113.55 103.23 2k3o h SER 121 Ca 0.20 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.66 2k3o h SER 121 Cb -0.04 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.43 2k3o h SER 121 CO -0.06 0.18 -0.82 0.61 -1.14 0.00 0.00 176.83 175.59 2k3o n GLY 122 N -0.54 -0.38 0.00 -3.77 0.00 -0.97 -4.77 105.19 94.77 2k3o n GLY 122 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2k3o n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k3o n ASN 123 N -2.86 0.00 0.07 1.61 3.02 -1.26 -1.31 115.26 114.52 2k3o n ASN 123 Ca -0.10 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.59 2k3o n ASN 123 Cb 0.58 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 40.37 2k3o n ASN 123 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2k3o h TYR 124 N 0.00 0.12 -0.04 3.10 -0.00 -1.86 -2.19 116.97 116.11 2k3o h TYR 124 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.72 2k3o h TYR 124 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 36.68 2k3o h TYR 124 CO 0.00 0.06 0.02 1.47 -0.00 0.00 0.00 178.16 179.71 2k3o n LEU 125 N -4.46 2.42 0.00 0.10 -0.00 -1.26 -4.80 117.00 109.01 2k3o n LEU 125 Ca 0.05 -1.22 0.00 0.00 -0.00 0.00 0.00 56.01 54.84 2k3o n LEU 125 Cb 0.36 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2k3o n LEU 125 CO 0.35 0.43 0.00 0.61 -0.00 0.00 0.00 177.39 178.78 2k3o n GLY 126 N 0.27 2.19 3.62 1.47 0.00 -0.82 -4.90 105.19 107.01 2k3o n GLY 126 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 2k3o n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3o s VAL 127 N -0.06 0.00 -0.28 1.61 0.11 -1.24 -4.90 120.40 115.64 2k3o s VAL 127 Ca 0.00 -0.38 -0.28 0.00 -2.93 0.00 0.00 61.98 58.39 2k3o s VAL 127 Cb 0.00 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 2k3o s VAL 127 CO 0.00 0.00 1.95 -0.55 -3.33 0.00 0.00 175.10 173.17 2k3o s SER 128 N -2.76 5.74 -0.44 3.54 0.15 -0.43 -4.44 113.70 115.06 2k3o s SER 128 Ca 0.07 1.54 0.07 0.00 0.70 0.00 0.00 55.95 58.34 2k3o s SER 128 Cb -0.02 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.10 2k3o s SER 128 CO -0.04 -1.79 1.09 1.67 1.20 0.00 0.00 173.24 175.38 2k3o n GLN 129 N 8.53 1.03 0.00 5.44 7.27 -1.26 -5.07 117.38 133.32 2k3o n GLN 129 Ca 0.25 -2.10 0.00 0.00 0.07 0.00 0.00 57.00 55.22 2k3o n GLN 129 Cb 0.46 -1.02 0.00 0.00 2.41 0.00 0.00 30.24 32.09 2k3o n GLN 129 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22