#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 -1.65 -0.28 7.33 4.02 -1.26 -4.51 117.16 120.81 2k3o n TYR 3 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 2k3o n TYR 3 Cb 0.00 -1.97 0.31 0.00 -0.02 0.00 0.00 39.34 37.66 2k3o n TYR 3 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2k3o h SER 4 N 0.00 0.78 -0.48 7.72 0.02 -1.96 0.05 113.55 119.68 2k3o h SER 4 Ca -0.16 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2k3o h SER 4 Cb 1.10 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2k3o h SER 4 CO 0.19 0.45 0.02 -1.28 -1.14 0.00 0.00 176.83 175.07 2k3o h SER 5 N 0.85 0.86 -0.23 3.07 0.87 -1.97 0.54 113.55 117.54 2k3o h SER 5 Ca 0.42 -0.21 -0.17 0.00 -1.23 0.00 0.00 61.79 60.60 2k3o h SER 5 Cb 0.46 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2k3o h SER 5 CO -0.18 0.90 -0.53 0.00 -0.53 0.00 0.00 176.83 176.50 2k3o h ALA 6 N 1.19 0.37 0.02 6.23 0.00 -1.59 0.10 119.26 125.57 2k3o h ALA 6 Ca 0.16 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k3o h ALA 6 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k3o h ALA 6 CO 0.02 0.57 -0.07 0.35 0.00 0.00 0.00 179.25 180.11 2k3o h PHE 7 N 0.49 -0.19 0.00 0.00 3.57 -0.97 -1.91 116.94 117.93 2k3o h PHE 7 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k3o h PHE 7 Cb 1.14 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 2k3o h PHE 7 CO 0.08 -0.12 -0.05 0.00 -2.23 0.00 0.00 178.31 176.00 2k3o h ALA 8 N 0.83 1.12 0.02 2.41 0.00 -0.86 -0.94 119.26 121.84 2k3o h ALA 8 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k3o h ALA 8 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k3o h ALA 8 CO -0.07 0.06 -0.01 1.96 0.00 0.00 0.00 179.25 181.20 2k3o h GLN 9 N 0.00 -0.02 -0.52 0.00 1.08 -0.14 0.20 115.11 115.71 2k3o h GLN 9 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2k3o h GLN 9 Cb 0.28 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 2k3o h GLN 9 CO 0.01 0.66 -0.14 0.00 -0.95 0.00 0.00 178.83 178.40 2k3o h ALA 10 N 0.19 0.72 -0.30 3.87 0.00 -1.32 0.27 119.26 122.69 2k3o h ALA 10 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2k3o h ALA 10 Cb 0.69 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k3o h ALA 10 CO 0.00 0.65 0.18 0.00 0.00 0.00 0.00 179.25 180.09 2k3o h ALA 11 N 0.90 0.37 -0.26 0.00 0.00 -1.24 -1.40 119.26 117.63 2k3o h ALA 11 Ca 0.13 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2k3o h ALA 11 Cb 0.71 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2k3o h ALA 11 CO 0.05 -0.18 0.07 1.03 0.00 0.00 0.00 179.25 180.22 2k3o h SER 12 N 0.37 0.06 -0.96 0.00 0.87 -0.36 0.26 113.55 113.79 2k3o h SER 12 Ca 0.11 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2k3o h SER 12 Cb -0.02 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 2k3o h SER 12 CO -0.04 0.07 0.60 -1.28 -0.53 0.00 0.00 176.83 175.65 2k3o h SER 13 N 0.18 1.13 0.35 6.23 0.87 -0.78 0.22 113.55 121.75 2k3o h SER 13 Ca 0.12 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2k3o h SER 13 Cb 0.10 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2k3o h SER 13 CO -0.14 0.84 -0.17 -1.28 -0.53 0.00 0.00 176.83 175.55 2k3o h SER 14 N 1.31 -0.40 0.06 6.23 0.87 -0.99 -3.11 113.55 117.52 2k3o h SER 14 Ca 0.35 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2k3o h SER 14 Cb -0.10 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k3o h SER 14 CO -0.07 -0.02 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.09 2k3o h LEU 15 N -0.85 0.00 -1.17 2.23 3.38 -0.24 0.19 115.31 118.84 2k3o h LEU 15 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2k3o h LEU 15 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2k3o h LEU 15 CO 0.08 0.06 -0.13 0.00 0.09 0.00 0.00 178.44 178.53 2k3o h ALA 16 N 1.94 1.01 0.00 1.53 0.00 -0.65 -3.23 119.26 119.87 2k3o h ALA 16 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k3o h ALA 16 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k3o h ALA 16 CO 0.01 0.17 -1.83 -2.37 0.00 0.00 0.00 179.25 175.22 2k3o n THR 17 N -3.27 0.00 -1.84 0.00 5.66 -0.20 -4.83 114.28 109.79 2k3o n THR 17 Ca 0.00 -0.42 -0.24 0.00 -3.05 0.00 0.00 64.05 60.35 2k3o n THR 17 Cb 0.39 0.09 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 2k3o n THR 17 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2k3o n SER 18 N -2.13 2.43 -0.24 1.09 7.64 0.49 -4.80 113.62 118.10 2k3o n SER 18 Ca -0.03 -2.62 0.16 0.00 1.01 0.00 0.00 58.87 57.38 2k3o n SER 18 Cb 0.48 -1.70 0.46 0.00 -1.01 0.00 0.00 64.21 62.44 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 10.30 0.50 -0.91 6.43 0.87 -1.88 -0.97 113.55 127.90 2k3o h SER 19 Ca 0.15 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 2k3o h SER 19 Cb 0.94 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.79 2k3o h SER 19 CO 1.19 0.23 0.59 0.00 -0.53 0.00 0.00 176.83 178.30 2k3o h ALA 20 N 1.62 1.58 -0.15 6.23 0.00 -1.95 0.21 119.26 126.80 2k3o h ALA 20 Ca 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2k3o h ALA 20 Cb 0.96 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k3o h ALA 20 CO -0.19 0.25 -0.11 0.82 0.00 0.00 0.00 179.25 180.03 2k3o h ILE 21 N 0.95 1.33 -0.48 0.00 1.08 -1.53 -0.95 117.51 117.90 2k3o h ILE 21 Ca 0.41 -1.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.68 2k3o h ILE 21 Cb 0.33 1.81 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 2k3o h ILE 21 CO -0.17 0.36 0.31 -1.28 -0.69 0.00 0.00 178.15 176.67 2k3o h SER 22 N -0.02 0.52 -0.53 1.72 0.87 -0.87 -0.52 113.55 114.73 2k3o h SER 22 Ca 0.03 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 2k3o h SER 22 Cb 0.61 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2k3o h SER 22 CO 0.03 0.37 -0.05 0.03 -0.53 0.00 0.00 176.83 176.68 2k3o h ARG 23 N 0.62 0.97 -0.35 2.24 3.08 -0.64 0.62 114.38 120.92 2k3o h ARG 23 Ca 0.18 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2k3o h ARG 23 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2k3o h ARG 23 CO -0.06 1.00 0.22 0.00 -1.07 0.00 0.00 179.97 180.06 2k3o h ALA 24 N 0.93 0.44 0.00 0.04 0.00 -0.94 0.11 119.26 119.84 2k3o h ALA 24 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2k3o h ALA 24 Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k3o h ALA 24 CO 0.04 -0.07 -0.51 0.74 0.00 0.00 0.00 179.25 179.44 2k3o h PHE 25 N 0.46 0.00 0.00 0.00 0.04 -0.99 -2.91 116.94 113.53 2k3o h PHE 25 Ca 0.13 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 2k3o h PHE 25 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2k3o h PHE 25 CO -0.04 0.51 -0.31 0.00 -0.60 0.00 0.00 178.31 177.87 2k3o h ALA 26 N 1.49 0.82 -0.68 2.45 0.00 -0.72 -3.30 119.26 119.32 2k3o h ALA 26 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k3o h ALA 26 Cb 0.91 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2k3o h ALA 26 CO 0.07 0.32 0.36 0.77 0.00 0.00 0.00 179.25 180.77 2k3o h SER 27 N 0.00 0.85 -3.63 0.00 0.02 -0.58 -3.43 113.55 106.78 2k3o h SER 27 Ca -0.01 -0.07 -0.51 0.00 -0.84 0.00 0.00 61.79 60.36 2k3o h SER 27 Cb 1.20 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 2k3o h SER 27 CO 0.03 0.70 0.12 0.68 -1.14 0.00 0.00 176.83 177.22 2k3o s VAL 28 N -5.60 4.58 0.00 2.27 -7.23 -1.20 -5.01 120.40 108.21 2k3o s VAL 28 Ca -0.11 1.23 0.00 0.00 -1.81 0.00 0.00 61.98 61.29 2k3o s VAL 28 Cb 0.17 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.31 2k3o s VAL 28 CO 0.79 0.10 0.00 -1.20 -0.31 0.00 0.00 175.10 174.48 2k3o n SER 29 N 0.42 0.07 -4.77 4.85 7.64 -1.26 -4.94 113.62 115.63 2k3o n SER 29 Ca -0.01 -0.47 -0.34 0.00 1.01 0.00 0.00 58.87 59.07 2k3o n SER 29 Cb 0.52 0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 64.59 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 -0.96 5.68 0.24 6.43 0.01 -1.26 -4.83 113.70 119.01 2k3o s SER 30 Ca 0.00 0.19 -0.07 0.00 1.31 0.00 0.00 55.95 57.38 2k3o s SER 30 Cb 0.00 -1.66 0.23 0.00 0.21 0.00 0.00 66.02 64.81 2k3o s SER 30 CO 0.00 0.31 1.91 0.00 0.41 0.00 0.00 173.24 175.87 2k3o h ALA 31 N 4.45 1.16 -0.01 1.44 0.00 -1.93 -1.37 119.26 123.00 2k3o h ALA 31 Ca -0.50 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2k3o h ALA 31 Cb 1.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k3o h ALA 31 CO 0.60 0.53 -0.34 0.77 0.00 0.00 0.00 179.25 180.81 2k3o h SER 32 N 1.21 0.02 -0.11 0.00 0.02 -1.96 -1.92 113.55 110.81 2k3o h SER 32 Ca 0.34 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.14 2k3o h SER 32 Cb -0.11 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k3o h SER 32 CO -0.08 0.37 -0.44 0.00 -1.14 0.00 0.00 176.83 175.54 2k3o h ALA 33 N 1.64 0.74 -0.66 3.77 0.00 -1.69 0.14 119.26 123.19 2k3o h ALA 33 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2k3o h ALA 33 Cb 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2k3o h ALA 33 CO 0.05 0.66 0.42 0.00 0.00 0.00 0.00 179.25 180.38 2k3o h ALA 34 N 0.98 0.85 -0.73 0.00 0.00 -1.19 -1.26 119.26 117.90 2k3o h ALA 34 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k3o h ALA 34 Cb 0.97 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2k3o h ALA 34 CO 0.09 0.21 0.38 0.66 0.00 0.00 0.00 179.25 180.59 2k3o h SER 35 N 0.84 0.93 -0.57 0.00 4.64 -0.90 0.10 113.55 118.59 2k3o h SER 35 Ca 0.25 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2k3o h SER 35 Cb -0.04 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.79 2k3o h SER 35 CO -0.08 0.78 0.28 0.28 -0.87 0.00 0.00 176.83 177.22 2k3o h SER 36 N 1.02 0.74 0.04 4.97 0.02 -0.53 0.15 113.55 119.96 2k3o h SER 36 Ca 0.26 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2k3o h SER 36 Cb 0.07 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2k3o h SER 36 CO -0.04 0.66 -0.02 0.17 -1.14 0.00 0.00 176.83 176.46 2k3o h LEU 37 N 0.77 -0.05 -0.87 5.07 8.10 -1.07 -1.90 115.31 125.36 2k3o h LEU 37 Ca 0.20 -0.32 -0.06 0.00 0.11 0.00 0.00 57.88 57.81 2k3o h LEU 37 Cb 0.11 0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.32 2k3o h LEU 37 CO -0.03 0.29 0.13 0.00 -4.11 0.00 0.00 178.44 174.73 2k3o h ALA 38 N 0.54 1.08 0.51 0.17 0.00 -0.87 0.04 119.26 120.74 2k3o h ALA 38 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k3o h ALA 38 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2k3o h ALA 38 CO 0.01 0.61 -0.33 -0.92 0.00 0.00 0.00 179.25 178.62 2k3o h TYR 39 N 0.92 -0.87 -0.99 0.00 5.03 -0.76 0.32 116.97 120.63 2k3o h TYR 39 Ca 0.19 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.56 2k3o h TYR 39 Cb 0.35 0.31 -0.07 0.00 1.55 0.00 0.00 36.73 38.88 2k3o h TYR 39 CO 0.02 -0.50 0.64 -0.91 -1.32 0.00 0.00 178.16 176.10 2k3o h ASN 40 N -0.80 1.03 -0.47 -2.11 2.35 -0.88 -0.46 115.58 114.23 2k3o h ASN 40 Ca -0.06 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 2k3o h ASN 40 Cb 0.66 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2k3o h ASN 40 CO 0.05 0.66 -0.21 0.40 -1.65 0.00 0.00 177.43 176.68 2k3o h ILE 41 N 1.17 1.27 -0.81 2.81 2.04 -0.98 -3.16 117.51 119.85 2k3o h ILE 41 Ca 0.42 -1.37 0.08 0.00 1.00 0.00 0.00 64.86 64.99 2k3o h ILE 41 Cb 0.14 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2k3o h ILE 41 CO -0.17 0.47 0.53 1.23 0.00 0.00 0.00 178.15 180.22 2k3o h GLY 42 N 0.89 1.12 1.07 5.37 0.00 1.00 -1.26 103.07 111.25 2k3o h GLY 42 Ca 0.11 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.16 2k3o h GLY 42 CO 0.06 0.23 0.48 1.41 0.00 0.00 0.00 176.54 178.73 2k3o h LEU 43 N 0.84 0.71 -0.09 3.11 -0.00 -1.10 0.18 115.31 118.96 2k3o h LEU 43 Ca 0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.20 2k3o h LEU 43 Cb 0.32 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2k3o h LEU 43 CO -0.14 0.47 -0.12 -1.28 -0.00 0.00 0.00 178.44 177.37 2k3o h SER 44 N 0.81 0.26 -0.24 -0.43 0.87 -1.34 0.03 113.55 113.52 2k3o h SER 44 Ca 0.31 -0.52 0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2k3o h SER 44 Cb 0.20 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2k3o h SER 44 CO -0.10 0.73 0.05 0.00 -0.53 0.00 0.00 176.83 176.98 2k3o h ALA 45 N 0.53 0.25 -0.51 6.23 0.00 -1.27 -0.78 119.26 123.71 2k3o h ALA 45 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2k3o h ALA 45 Cb 0.68 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2k3o h ALA 45 CO 0.03 -0.37 0.28 0.00 0.00 0.00 0.00 179.25 179.19 2k3o h ALA 46 N 1.17 0.65 -0.24 0.00 0.00 -0.65 -0.51 119.26 119.69 2k3o h ALA 46 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k3o h ALA 46 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k3o h ALA 46 CO -0.14 -0.05 0.16 0.00 0.00 0.00 0.00 179.25 179.22 2k3o h ARG 47 N 0.55 0.32 0.00 0.00 3.08 -0.78 -0.66 114.38 116.89 2k3o h ARG 47 Ca 0.22 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2k3o h ARG 47 Cb 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2k3o h ARG 47 CO -0.13 0.23 -0.12 0.77 -1.07 0.00 0.00 179.97 179.64 2k3o h SER 48 N 0.32 0.00 -0.17 7.04 0.02 -0.80 -2.29 113.55 117.67 2k3o h SER 48 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2k3o h SER 48 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2k3o h SER 48 CO -0.02 0.12 0.00 0.18 -1.14 0.00 0.00 176.83 175.97 2k3o n LEU 49 N -3.71 2.65 -2.69 5.07 4.77 -0.23 -4.98 117.00 117.88 2k3o n LEU 49 Ca -0.02 -1.02 -0.20 0.00 -0.03 0.00 0.00 56.01 54.74 2k3o n LEU 49 Cb 0.24 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2k3o n LEU 49 CO 0.31 0.51 -0.15 0.61 -1.33 0.00 0.00 177.39 177.34 2k3o n GLY 50 N 1.33 -0.51 3.71 -0.72 0.00 -0.46 -4.93 105.19 103.62 2k3o n GLY 50 Ca 0.17 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2k3o n GLY 50 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k3o n ILE 51 N -4.06 0.04 1.78 -0.61 2.08 -0.38 -4.90 119.36 113.31 2k3o n ILE 51 Ca -0.17 -0.01 0.02 0.00 0.56 0.00 0.00 62.75 63.16 2k3o n ILE 51 Cb 0.64 -1.98 0.13 0.00 -0.75 0.00 0.00 39.64 37.68 2k3o n ILE 51 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k3o n ALA 52 N 4.15 2.42 -2.70 -1.39 0.00 -1.26 -3.84 120.51 117.88 2k3o n ALA 52 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 2k3o n ALA 52 Cb 0.35 -1.07 0.09 0.00 0.00 0.00 0.00 19.45 18.82 2k3o n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k3o n SER 53 N -0.58 -1.87 -0.26 0.00 3.41 -1.26 -5.02 113.62 108.04 2k3o n SER 53 Ca 0.03 -2.61 0.18 0.00 -0.26 0.00 0.00 58.87 56.21 2k3o n SER 53 Cb 0.02 1.25 0.48 0.00 -0.26 0.00 0.00 64.21 65.70 2k3o n SER 53 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2k3o h ASP 54 N 2.13 0.46 -0.49 4.04 3.32 -1.94 0.89 116.42 124.83 2k3o h ASP 54 Ca -0.28 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 2k3o h ASP 54 Cb 1.24 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2k3o h ASP 54 CO -0.04 0.18 0.17 0.71 -1.72 0.00 0.00 179.24 178.54 2k3o h THR 55 N 0.46 1.21 0.11 0.35 1.35 -1.95 0.27 112.91 114.71 2k3o h THR 55 Ca 0.48 -0.72 -0.30 0.00 -0.55 0.00 0.00 66.41 65.32 2k3o h THR 55 Cb 1.12 0.62 0.03 0.00 -1.73 0.00 0.00 68.15 68.19 2k3o h THR 55 CO -0.20 0.28 -1.23 0.00 -0.25 0.00 0.00 175.52 174.11 2k3o h ALA 56 N 1.40 0.02 -0.06 6.62 0.00 -1.29 -0.69 119.26 125.26 2k3o h ALA 56 Ca 0.18 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2k3o h ALA 56 Cb 0.23 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k3o h ALA 56 CO -0.01 0.71 -0.03 1.25 0.00 0.00 0.00 179.25 181.17 2k3o h LEU 57 N 0.27 0.12 -1.06 0.00 7.12 -1.23 0.84 115.31 121.37 2k3o h LEU 57 Ca -0.18 -0.42 0.01 0.00 0.13 0.00 0.00 57.88 57.42 2k3o h LEU 57 Cb 1.91 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 41.96 2k3o h LEU 57 CO 0.23 0.51 0.60 0.00 -0.13 0.00 0.00 178.44 179.66 2k3o h ALA 58 N 0.62 1.31 -0.20 1.25 0.00 -1.06 -0.03 119.26 121.14 2k3o h ALA 58 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k3o h ALA 58 Cb 0.46 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k3o h ALA 58 CO 0.01 0.63 0.06 0.78 0.00 0.00 0.00 179.25 180.72 2k3o h GLY 59 N 1.27 0.35 1.02 0.00 0.00 -1.05 -0.16 103.07 104.50 2k3o h GLY 59 Ca 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2k3o h GLY 59 CO -0.07 0.20 0.20 0.00 0.00 0.00 0.00 176.54 176.87 2k3o h ALA 60 N 0.87 0.85 -0.21 3.60 0.00 -0.60 -1.98 119.26 121.78 2k3o h ALA 60 Ca 0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2k3o h ALA 60 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k3o h ALA 60 CO -0.00 0.52 -0.40 1.37 0.00 0.00 0.00 179.25 180.74 2k3o h LEU 61 N 0.94 0.52 -0.81 0.00 8.10 -1.00 -2.42 115.31 120.63 2k3o h LEU 61 Ca 0.21 -0.22 0.02 0.00 0.11 0.00 0.00 57.88 57.99 2k3o h LEU 61 Cb 0.29 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.33 2k3o h LEU 61 CO -0.01 0.86 0.53 0.00 -4.11 0.00 0.00 178.44 175.72 2k3o h ALA 62 N 1.17 1.04 -0.14 0.17 0.00 -0.72 -1.10 119.26 119.67 2k3o h ALA 62 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k3o h ALA 62 Cb 0.88 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k3o h ALA 62 CO 0.07 0.41 -0.12 1.96 0.00 0.00 0.00 179.25 181.57 2k3o h GLN 63 N 1.07 0.22 -0.10 0.00 4.20 -1.24 -0.87 115.11 118.39 2k3o h GLN 63 Ca 0.30 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2k3o h GLN 63 Cb -0.09 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 2k3o h GLN 63 CO -0.08 0.35 0.02 0.00 -0.67 0.00 0.00 178.83 178.45 2k3o h ALA 64 N 1.67 0.13 -0.76 3.87 0.00 -0.74 -1.10 119.26 122.33 2k3o h ALA 64 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2k3o h ALA 64 Cb 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k3o h ALA 64 CO 0.02 -0.23 0.25 -0.24 0.00 0.00 0.00 179.25 179.05 2k3o h VAL 65 N -0.07 1.26 0.00 0.00 3.04 -1.17 -2.17 116.25 117.14 2k3o h VAL 65 Ca 0.03 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 2k3o h VAL 65 Cb 0.28 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 2k3o h VAL 65 CO 0.00 0.36 0.00 1.23 -1.01 0.00 0.00 177.57 178.15 2k3o h GLY 66 N 1.13 0.00 1.00 3.17 0.00 -1.10 -2.67 103.07 104.60 2k3o h GLY 66 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.49 2k3o h GLY 66 CO -0.01 0.00 -0.08 -1.33 0.00 0.00 0.00 176.54 175.12 2k3o h GLY 67 N 1.06 0.89 0.38 4.60 0.00 -0.51 -3.29 103.07 106.21 2k3o h GLY 67 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 2k3o h GLY 67 CO 0.00 0.65 -0.39 -2.08 0.00 0.00 0.00 176.54 174.72 2k3o h VAL 68 N 0.66 1.63 0.00 4.60 2.07 -1.59 -3.51 116.25 120.10 2k3o h VAL 68 Ca 0.11 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2k3o h VAL 68 Cb 0.60 3.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2k3o h VAL 68 CO 0.04 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.88 2k3o n GLY 69 N 1.52 -2.59 3.77 2.17 0.00 -1.02 -4.94 105.19 104.11 2k3o n GLY 69 Ca -0.12 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.46 3.50 0.00 4.61 0.00 -1.26 -3.99 121.76 121.16 2k3o s ALA 70 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2k3o s ALA 70 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2k3o s ALA 70 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2k3o n GLY 71 N 0.59 2.54 3.41 0.00 0.00 -1.26 -4.90 105.19 105.58 2k3o n GLY 71 Ca 0.01 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.23 -0.33 0.51 4.61 0.00 -1.26 -5.02 121.76 120.04 2k3o s ALA 72 Ca 0.00 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 2k3o s ALA 72 Cb 0.00 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 2k3o s ALA 72 CO 0.00 -4.20 1.20 0.45 0.00 0.00 0.00 175.76 173.21 2k3o s SER 73 N -3.25 5.81 0.38 0.00 0.15 -1.26 -4.95 113.70 110.58 2k3o s SER 73 Ca 0.69 2.37 0.09 0.00 0.70 0.00 0.00 55.95 59.80 2k3o s SER 73 Cb -0.14 -2.60 0.85 0.00 -1.71 0.00 0.00 66.02 62.42 2k3o s SER 73 CO 0.58 -1.17 1.93 0.00 1.20 0.00 0.00 173.24 175.79 2k3o h ALA 74 N 1.64 1.84 0.00 5.45 0.00 -1.94 -1.49 119.26 124.77 2k3o h ALA 74 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2k3o h ALA 74 Cb 1.27 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k3o h ALA 74 CO 0.58 -0.00 -0.07 0.77 0.00 0.00 0.00 179.25 180.53 2k3o h SER 75 N 0.64 0.00 -0.12 0.00 0.02 -1.92 0.40 113.55 112.57 2k3o h SER 75 Ca 0.35 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.08 2k3o h SER 75 Cb 0.50 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.05 2k3o h SER 75 CO -0.13 0.07 -0.78 0.00 -1.14 0.00 0.00 176.83 174.85 2k3o h ALA 76 N 1.93 0.33 -0.05 3.77 0.00 -1.65 -0.88 119.26 122.72 2k3o h ALA 76 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2k3o h ALA 76 Cb 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k3o h ALA 76 CO 0.01 0.69 -0.03 1.88 0.00 0.00 0.00 179.25 181.80 2k3o h TYR 77 N 0.53 0.12 -0.39 0.00 0.05 -1.42 -2.19 116.97 113.65 2k3o h TYR 77 Ca -0.05 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2k3o h TYR 77 Cb 1.41 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 39.10 2k3o h TYR 77 CO 0.08 0.51 0.18 0.00 -1.05 0.00 0.00 178.16 177.88 2k3o h ALA 78 N 0.59 1.59 -0.33 3.88 0.00 -1.02 -0.54 119.26 123.42 2k3o h ALA 78 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k3o h ALA 78 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k3o h ALA 78 CO 0.01 0.33 0.22 -0.91 0.00 0.00 0.00 179.25 178.90 2k3o h ASN 79 N 0.54 0.39 -0.44 0.00 2.35 -1.11 0.79 115.58 118.09 2k3o h ASN 79 Ca 0.14 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2k3o h ASN 79 Cb 0.07 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2k3o h ASN 79 CO -0.02 0.29 0.21 0.00 -1.65 0.00 0.00 177.43 176.27 2k3o h ALA 80 N 1.11 1.47 -0.09 -0.83 0.00 -0.54 0.15 119.26 120.54 2k3o h ALA 80 Ca 0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2k3o h ALA 80 Cb -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2k3o h ALA 80 CO -0.03 0.41 -0.54 0.82 0.00 0.00 0.00 179.25 179.92 2k3o h ILE 81 N 0.68 1.37 -0.24 0.00 1.08 -0.95 0.43 117.51 119.88 2k3o h ILE 81 Ca 0.17 -1.88 -0.03 0.00 -0.39 0.00 0.00 64.86 62.73 2k3o h ILE 81 Cb 0.10 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2k3o h ILE 81 CO -0.02 0.56 0.03 0.00 -0.69 0.00 0.00 178.15 178.03 2k3o h ALA 82 N 0.45 1.61 -0.10 1.87 0.00 -0.61 0.12 119.26 122.60 2k3o h ALA 82 Ca -0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k3o h ALA 82 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k3o h ALA 82 CO 0.11 0.29 -0.37 0.00 0.00 0.00 0.00 179.25 179.28 2k3o h ARG 83 N 0.34 0.43 -0.38 0.00 3.08 -0.70 0.19 114.38 117.33 2k3o h ARG 83 Ca 0.08 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 2k3o h ARG 83 Cb 0.19 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2k3o h ARG 83 CO 0.00 0.95 -0.07 0.00 -1.07 0.00 0.00 179.97 179.78 2k3o h ALA 84 N 0.48 0.52 -0.25 0.04 0.00 -0.48 0.19 119.26 119.76 2k3o h ALA 84 Ca -0.02 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2k3o h ALA 84 Cb 1.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k3o h ALA 84 CO 0.08 0.37 -0.33 0.00 0.00 0.00 0.00 179.25 179.37 2k3o h ALA 85 N 0.84 0.37 -0.03 0.00 0.00 -0.92 -2.79 119.26 116.72 2k3o h ALA 85 Ca 0.10 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2k3o h ALA 85 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k3o h ALA 85 CO 0.03 0.42 -0.04 0.78 0.00 0.00 0.00 179.25 180.44 2k3o h GLY 86 N 0.37 -0.00 1.42 0.00 0.00 -0.87 -1.71 103.07 102.28 2k3o h GLY 86 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.42 2k3o h GLY 86 CO 0.08 -0.04 0.37 0.06 0.00 0.00 0.00 176.54 177.00 2k3o h GLN 87 N -0.05 0.69 -0.13 4.80 -0.00 -0.71 0.83 115.11 120.54 2k3o h GLN 87 Ca 0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 2k3o h GLN 87 Cb 0.09 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 2k3o h GLN 87 CO -0.06 0.46 0.04 0.35 -0.00 0.00 0.00 178.83 179.61 2k3o h PHE 88 N 0.71 0.22 -0.01 0.06 3.57 -1.14 0.21 116.94 120.56 2k3o h PHE 88 Ca 0.21 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 2k3o h PHE 88 Cb -0.03 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2k3o h PHE 88 CO -0.00 0.34 -0.77 -0.07 -2.23 0.00 0.00 178.31 175.58 2k3o h LEU 89 N 0.03 0.12 -0.06 0.59 3.38 -1.04 -2.22 115.31 116.11 2k3o h LEU 89 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2k3o h LEU 89 Cb 0.23 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k3o h LEU 89 CO -0.00 0.84 0.01 0.00 0.09 0.00 0.00 178.44 179.38 2k3o h ALA 90 N 1.15 0.08 -0.18 1.53 0.00 -0.76 0.23 119.26 121.31 2k3o h ALA 90 Ca -0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2k3o h ALA 90 Cb 1.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2k3o h ALA 90 CO 0.11 -0.29 -0.17 0.00 0.00 0.00 0.00 179.25 178.90 2k3o h THR 91 N -0.13 1.21 0.00 0.00 1.03 -0.96 -1.47 112.91 112.59 2k3o h THR 91 Ca 0.02 -0.97 0.00 0.00 -0.01 0.00 0.00 66.41 65.45 2k3o h THR 91 Cb 0.26 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 2k3o h THR 91 CO 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 175.52 175.81 2k3o n GLN 92 N -4.21 0.20 -1.53 0.00 6.02 -0.84 -4.92 117.38 112.10 2k3o n GLN 92 Ca -0.00 0.10 -0.18 0.00 -0.01 0.00 0.00 57.00 56.90 2k3o n GLN 92 Cb 0.32 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.00 2k3o n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k3o n GLY 93 N 0.60 1.77 0.24 1.08 0.00 -0.56 -4.87 105.19 103.45 2k3o n GLY 93 Ca 0.09 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 0.63 -3.51 1.61 2.07 -1.23 -3.43 116.25 112.40 2k3o h VAL 94 Ca -0.38 -0.79 -0.60 0.00 0.82 0.00 0.00 66.70 65.75 2k3o h VAL 94 Cb 1.27 1.51 -0.12 0.00 -1.52 0.00 0.00 31.29 32.43 2k3o h VAL 94 CO 0.55 0.17 -0.19 -0.76 0.02 0.00 0.00 177.57 177.37 2k3o s LEU 95 N -7.19 4.14 0.07 2.57 1.43 -1.17 -4.98 118.68 113.55 2k3o s LEU 95 Ca -0.02 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2k3o s LEU 95 Cb 0.12 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 2k3o s LEU 95 CO 0.61 -0.10 -0.10 0.20 0.23 0.00 0.00 176.35 177.19 2k3o s ASN 96 N 1.13 1.32 0.53 2.29 0.01 -1.26 -4.08 114.94 114.87 2k3o s ASN 96 Ca 0.19 -0.68 0.27 0.00 -0.71 0.00 0.00 52.86 51.93 2k3o s ASN 96 Cb -0.15 0.00 1.48 0.00 0.41 0.00 0.00 41.25 42.99 2k3o s ASN 96 CO 0.08 -0.20 1.81 0.00 -1.51 0.00 0.00 177.10 177.28 2k3o h ALA 97 N 4.04 1.19 -0.66 0.60 0.00 -1.98 1.00 119.26 123.45 2k3o h ALA 97 Ca -0.38 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.66 2k3o h ALA 97 Cb 1.19 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 2k3o h ALA 97 CO 0.46 -0.19 -0.27 0.28 0.00 0.00 0.00 179.25 179.53 2k3o h VAL 98 N 0.00 0.21 0.00 0.00 2.07 -2.01 -3.41 116.25 113.11 2k3o h VAL 98 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k3o h VAL 98 Cb 0.43 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2k3o h VAL 98 CO 0.00 0.00 -0.10 -0.46 0.02 0.00 0.00 177.57 177.03 2k3o n ASN 99 N -5.46 -0.35 -0.31 0.57 2.04 -0.95 -5.01 115.26 105.80 2k3o n ASN 99 Ca 0.07 -0.81 0.18 0.00 -0.44 0.00 0.00 54.58 53.57 2k3o n ASN 99 Cb 0.36 0.10 0.44 0.00 -2.53 0.00 0.00 39.78 38.15 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 2.01 0.25 -2.53 0.00 -1.06 0.10 119.26 118.03 2k3o h ALA 100 Ca -0.20 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k3o h ALA 100 Cb 0.81 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2k3o h ALA 100 CO -0.10 -0.36 -0.29 0.77 0.00 0.00 0.00 179.25 179.27 2k3o h SER 101 N 0.54 -0.81 0.10 0.00 0.02 -1.84 -2.69 113.55 108.87 2k3o h SER 101 Ca 0.55 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.53 2k3o h SER 101 Cb 1.16 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2k3o h SER 101 CO -0.29 -0.37 -0.13 0.28 -1.14 0.00 0.00 176.83 175.18 2k3o h SER 102 N -0.55 0.07 0.22 3.07 0.02 -1.63 -0.82 113.55 113.92 2k3o h SER 102 Ca -0.03 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2k3o h SER 102 Cb 0.48 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2k3o h SER 102 CO -0.06 0.21 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.69 2k3o h LEU 103 N 0.07 0.00 -1.13 5.07 3.38 -0.80 -1.77 115.31 120.13 2k3o h LEU 103 Ca 0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2k3o h LEU 103 Cb 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2k3o h LEU 103 CO 0.02 0.08 0.59 1.23 0.09 0.00 0.00 178.44 180.46 2k3o h GLY 104 N 0.51 1.31 1.24 0.83 0.00 -0.79 -1.83 103.07 104.34 2k3o h GLY 104 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2k3o h GLY 104 CO 0.01 0.36 0.48 0.23 0.00 0.00 0.00 176.54 177.61 2k3o h SER 105 N 1.10 0.89 -0.86 0.19 0.87 -1.41 -2.02 113.55 112.31 2k3o h SER 105 Ca 0.37 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2k3o h SER 105 Cb 0.08 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 2k3o h SER 105 CO -0.12 0.67 0.55 0.00 -0.53 0.00 0.00 176.83 177.39 2k3o h ALA 106 N 1.49 1.34 -0.09 6.23 0.00 -1.32 0.21 119.26 127.12 2k3o h ALA 106 Ca 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2k3o h ALA 106 Cb -0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.36 2k3o h ALA 106 CO -0.06 0.59 -0.05 1.25 0.00 0.00 0.00 179.25 180.98 2k3o h LEU 107 N 1.18 0.21 -1.34 0.00 7.12 -1.33 -0.85 115.31 120.29 2k3o h LEU 107 Ca 0.31 -0.43 -0.02 0.00 0.13 0.00 0.00 57.88 57.88 2k3o h LEU 107 Cb -0.10 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 39.95 2k3o h LEU 107 CO -0.06 0.59 0.19 0.00 -0.13 0.00 0.00 178.44 179.03 2k3o h ALA 108 N 0.63 1.49 -0.51 1.25 0.00 -1.08 0.50 119.26 121.54 2k3o h ALA 108 Ca 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2k3o h ALA 108 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2k3o h ALA 108 CO 0.02 0.40 -0.08 -0.91 0.00 0.00 0.00 179.25 178.68 2k3o h ASN 109 N 0.64 0.92 -0.19 0.00 2.35 -0.56 0.11 115.58 118.86 2k3o h ASN 109 Ca 0.16 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2k3o h ASN 109 Cb 0.11 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2k3o h ASN 109 CO -0.02 1.02 0.09 0.00 -1.65 0.00 0.00 177.43 176.88 2k3o h ALA 110 N 1.06 0.24 -0.79 -0.83 0.00 -0.28 0.62 119.26 119.28 2k3o h ALA 110 Ca 0.14 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2k3o h ALA 110 Cb 0.60 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2k3o h ALA 110 CO 0.04 -0.21 0.51 -0.07 0.00 0.00 0.00 179.25 179.52 2k3o h LEU 111 N 0.18 0.85 -0.48 0.00 3.38 -0.84 -1.96 115.31 116.43 2k3o h LEU 111 Ca 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2k3o h LEU 111 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2k3o h LEU 111 CO -0.01 0.59 0.18 -1.28 0.09 0.00 0.00 178.44 178.01 2k3o h SER 112 N 1.00 0.68 -0.15 -0.43 0.87 -0.50 0.21 113.55 115.23 2k3o h SER 112 Ca 0.31 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 2k3o h SER 112 Cb -0.02 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.71 2k3o h SER 112 CO -0.10 0.68 -0.13 0.44 -0.53 0.00 0.00 176.83 177.19 2k3o h ASP 113 N 0.64 -0.42 0.02 6.23 3.32 -0.72 -0.19 116.42 125.31 2k3o h ASP 113 Ca 0.16 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 2k3o h ASP 113 Cb 0.23 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2k3o h ASP 113 CO -0.01 -0.17 -0.32 0.28 -1.72 0.00 0.00 179.24 177.30 2k3o h SER 114 N -0.15 0.44 -0.06 6.45 0.02 -1.06 -0.66 113.55 118.53 2k3o h SER 114 Ca 0.10 -0.17 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 2k3o h SER 114 Cb 0.29 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 62.73 2k3o h SER 114 CO -0.24 0.74 -0.91 0.00 -1.14 0.00 0.00 176.83 175.28 2k3o h ALA 115 N 1.29 0.19 -0.78 3.77 0.00 -0.40 0.28 119.26 123.61 2k3o h ALA 115 Ca 0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2k3o h ALA 115 Cb 0.75 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2k3o h ALA 115 CO 0.06 0.66 0.47 0.00 0.00 0.00 0.00 179.25 180.44 2k3o h ALA 116 N 0.45 1.00 -0.09 0.00 0.00 -1.02 -2.24 119.26 117.36 2k3o h ALA 116 Ca -0.10 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2k3o h ALA 116 Cb 1.56 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k3o h ALA 116 CO 0.18 0.47 -0.44 -0.97 0.00 0.00 0.00 179.25 178.49 2k3o h ASN 117 N 1.07 0.22 -0.30 0.00 -0.73 -1.00 -2.78 115.58 112.07 2k3o h ASN 117 Ca 0.28 -0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 2k3o h ASN 117 Cb -0.03 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 2k3o h ASN 117 CO -0.05 0.64 0.09 0.28 -0.37 0.00 0.00 177.43 178.02 2k3o h SER 118 N 0.17 0.50 1.07 1.15 0.02 -0.14 -1.50 113.55 114.82 2k3o h SER 118 Ca 0.01 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k3o h SER 118 Cb 0.85 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2k3o h SER 118 CO 0.07 0.50 0.00 0.00 -1.14 0.00 0.00 176.83 176.26 2k3o n ALA 119 N -2.47 2.06 0.20 3.77 0.00 -0.87 -2.51 120.51 120.68 2k3o n ALA 119 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2k3o n ALA 119 Cb 0.18 -1.42 0.43 0.00 0.00 0.00 0.00 19.45 18.64 2k3o n ALA 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2k3o h VAL 120 N 0.00 1.12 0.00 0.00 3.04 -1.00 -3.43 116.25 115.98 2k3o h VAL 120 Ca 0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2k3o h VAL 120 Cb 0.53 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2k3o h VAL 120 CO 0.00 0.30 0.00 -1.20 -1.01 0.00 0.00 177.57 175.66 2k3o n SER 121 N -4.03 -0.13 0.00 3.17 7.64 -1.24 -4.60 113.62 114.42 2k3o n SER 121 Ca -0.02 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2k3o n SER 121 Cb 0.36 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 1.42 0.00 3.37 0.23 0.00 -1.05 -1.09 105.19 108.07 2k3o n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.11 0.00 0.00 1.61 2.85 -1.26 -4.88 115.26 113.47 2k3o n ASN 123 Ca 0.00 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.27 2k3o n ASN 123 Cb 0.38 -0.62 -0.14 0.00 1.24 0.00 0.00 39.78 40.64 2k3o n ASN 123 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2k3o n TYR 124 N -2.00 1.22 -1.18 1.20 4.01 -0.25 -4.56 117.16 115.61 2k3o n TYR 124 Ca 0.00 0.27 0.03 0.00 -0.16 0.00 0.00 57.90 58.04 2k3o n TYR 124 Cb 0.00 -1.16 0.05 0.00 -0.31 0.00 0.00 39.34 37.91 2k3o n TYR 124 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2k3o n LEU 125 N -3.44 1.11 0.25 7.72 4.32 -0.50 -4.87 117.00 121.60 2k3o n LEU 125 Ca -0.31 -1.68 0.17 0.00 -0.02 0.00 0.00 56.01 54.18 2k3o n LEU 125 Cb 1.05 -0.14 0.88 0.00 -1.62 0.00 0.00 43.42 43.59 2k3o n LEU 125 CO 0.43 0.40 1.02 1.23 -1.22 0.00 0.00 177.39 179.25 2k3o h GLY 126 N 0.00 0.00 -4.69 -0.72 0.00 -1.80 -2.86 103.07 93.00 2k3o h GLY 126 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2k3o h GLY 126 CO 0.00 0.00 -0.72 -0.62 0.00 0.00 0.00 176.54 175.20 2k3o n VAL 127 N -2.74 2.50 -3.67 4.60 0.31 -1.26 -5.03 118.33 113.04 2k3o n VAL 127 Ca -0.01 -5.06 -0.12 0.00 -0.01 0.00 0.00 64.34 59.14 2k3o n VAL 127 Cb 0.11 -1.27 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 2k3o n VAL 127 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2k3o s SER 128 N -3.52 -0.26 -0.48 4.52 0.15 -1.08 -5.14 113.70 107.89 2k3o s SER 128 Ca 0.48 -0.08 0.07 0.00 0.70 0.00 0.00 55.95 57.12 2k3o s SER 128 Cb 0.38 0.43 0.19 0.00 -1.71 0.00 0.00 66.02 65.30 2k3o s SER 128 CO -0.18 -0.69 0.72 -1.58 1.20 0.00 0.00 173.24 172.71 2k3o s GLN 129 N -2.72 0.97 0.00 5.44 0.74 -1.26 -5.07 119.66 117.76 2k3o s GLN 129 Ca -0.04 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 54.55 2k3o s GLN 129 Cb -0.00 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.10 2k3o s GLN 129 CO -0.04 -1.24 0.00 0.27 -0.55 0.00 0.00 175.29 173.72