#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 0.00 -0.25 1.43 4.01 -1.26 -3.66 117.16 117.43 2k3o n TYR 3 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2k3o n TYR 3 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.08 2k3o n TYR 3 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k3o h SER 4 N 0.00 0.90 -0.03 7.72 0.87 -1.95 -0.27 113.55 120.79 2k3o h SER 4 Ca 0.00 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.30 2k3o h SER 4 Cb 0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2k3o h SER 4 CO 0.00 0.77 -0.42 -1.28 -0.53 0.00 0.00 176.83 175.37 2k3o h SER 5 N 0.97 0.59 -0.11 6.23 0.87 -1.93 0.85 113.55 121.02 2k3o h SER 5 Ca 0.24 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2k3o h SER 5 Cb 0.10 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2k3o h SER 5 CO -0.03 0.94 0.03 0.00 -0.53 0.00 0.00 176.83 177.23 2k3o h ALA 6 N 1.09 0.15 -0.24 6.23 0.00 -1.81 -0.08 119.26 124.61 2k3o h ALA 6 Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2k3o h ALA 6 Cb 0.92 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2k3o h ALA 6 CO 0.08 -0.23 -0.01 0.35 0.00 0.00 0.00 179.25 179.44 2k3o h PHE 7 N -0.01 -0.02 0.00 0.00 3.57 -1.00 -1.30 116.94 118.18 2k3o h PHE 7 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2k3o h PHE 7 Cb 0.23 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2k3o h PHE 7 CO 0.00 -0.04 0.00 0.00 -2.23 0.00 0.00 178.31 176.04 2k3o h ALA 8 N 1.20 1.00 0.14 2.41 0.00 -0.72 -0.23 119.26 123.07 2k3o h ALA 8 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k3o h ALA 8 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k3o h ALA 8 CO -0.19 0.00 -0.07 1.96 0.00 0.00 0.00 179.25 180.95 2k3o h GLN 9 N 0.00 -0.18 -0.37 0.00 1.08 0.19 0.84 115.11 116.67 2k3o h GLN 9 Ca 0.00 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 2k3o h GLN 9 Cb 0.13 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2k3o h GLN 9 CO 0.00 0.25 -0.26 0.00 -0.95 0.00 0.00 178.83 177.86 2k3o h ALA 10 N -0.38 0.84 0.17 3.87 0.00 -1.42 0.61 119.26 122.96 2k3o h ALA 10 Ca -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k3o h ALA 10 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k3o h ALA 10 CO 0.03 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.84 2k3o h ALA 11 N 1.05 -0.23 -0.79 0.00 0.00 -1.10 -1.12 119.26 117.07 2k3o h ALA 11 Ca 0.08 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2k3o h ALA 11 Cb 0.78 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2k3o h ALA 11 CO 0.06 -0.62 0.44 1.03 0.00 0.00 0.00 179.25 180.17 2k3o h SER 12 N -0.24 0.64 -0.68 0.00 0.87 -0.66 0.31 113.55 113.79 2k3o h SER 12 Ca -0.02 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2k3o h SER 12 Cb 0.19 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2k3o h SER 12 CO 0.04 0.37 0.41 -1.28 -0.53 0.00 0.00 176.83 175.85 2k3o h SER 13 N 0.76 0.66 -0.00 6.23 0.87 -0.61 0.12 113.55 121.58 2k3o h SER 13 Ca 0.37 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.89 2k3o h SER 13 Cb 0.32 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2k3o h SER 13 CO -0.24 0.45 -0.20 -1.28 -0.53 0.00 0.00 176.83 175.04 2k3o h SER 14 N 0.80 0.18 -0.69 6.23 0.87 -0.71 -3.22 113.55 117.00 2k3o h SER 14 Ca 0.28 -0.78 0.03 0.00 -1.23 0.00 0.00 61.79 60.09 2k3o h SER 14 Cb 0.06 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 2k3o h SER 14 CO -0.13 0.93 0.46 -0.07 -0.53 0.00 0.00 176.83 177.49 2k3o h LEU 15 N -0.56 0.72 -0.91 2.23 3.38 -0.30 0.01 115.31 119.88 2k3o h LEU 15 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k3o h LEU 15 Cb 0.96 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2k3o h LEU 15 CO 0.04 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.07 2k3o h ALA 16 N 1.59 1.00 -0.06 1.53 0.00 -0.88 -2.89 119.26 119.56 2k3o h ALA 16 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k3o h ALA 16 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k3o h ALA 16 CO -0.08 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.42 2k3o n THR 17 N -2.59 0.09 -2.59 0.00 -2.24 -0.33 -4.80 114.28 101.83 2k3o n THR 17 Ca 0.02 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 2k3o n THR 17 Cb 0.28 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 2k3o n THR 17 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k3o n SER 18 N 0.84 5.12 -0.07 3.42 7.64 -0.16 -4.86 113.62 125.55 2k3o n SER 18 Ca 0.09 -3.04 0.24 0.00 1.01 0.00 0.00 58.87 57.17 2k3o n SER 18 Cb 0.38 -1.53 0.71 0.00 -1.01 0.00 0.00 64.21 62.76 2k3o n SER 18 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3o h SER 19 N 6.38 0.00 -0.74 6.43 0.02 -1.87 -0.20 113.55 123.57 2k3o h SER 19 Ca 0.37 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2k3o h SER 19 Cb 0.74 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 2k3o h SER 19 CO 1.47 0.00 0.49 0.00 -1.14 0.00 0.00 176.83 177.65 2k3o h ALA 20 N 1.65 0.94 -0.13 3.77 0.00 -1.93 0.11 119.26 123.67 2k3o h ALA 20 Ca 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2k3o h ALA 20 Cb 1.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k3o h ALA 20 CO -0.00 0.36 -0.13 0.82 0.00 0.00 0.00 179.25 180.30 2k3o h ILE 21 N 1.00 1.35 -0.89 0.00 2.04 -1.38 -0.61 117.51 119.03 2k3o h ILE 21 Ca 0.27 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.86 2k3o h ILE 21 Cb -0.11 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2k3o h ILE 21 CO -0.06 0.37 0.58 0.28 0.00 0.00 0.00 178.15 179.33 2k3o h SER 22 N -0.06 1.02 -0.37 1.72 0.02 -1.19 -0.19 113.55 114.50 2k3o h SER 22 Ca 0.02 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 2k3o h SER 22 Cb 0.65 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2k3o h SER 22 CO 0.03 0.74 -0.39 0.03 -1.14 0.00 0.00 176.83 176.10 2k3o h ARG 23 N 1.20 0.92 -0.59 3.45 3.08 -0.81 -0.14 114.38 121.49 2k3o h ARG 23 Ca 0.32 -0.50 0.01 0.00 0.07 0.00 0.00 59.98 59.89 2k3o h ARG 23 Cb -0.13 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2k3o h ARG 23 CO -0.07 1.15 0.39 0.00 -1.07 0.00 0.00 179.97 180.37 2k3o h ALA 24 N 0.76 0.75 -0.01 0.04 0.00 -0.72 0.13 119.26 120.20 2k3o h ALA 24 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2k3o h ALA 24 Cb 0.99 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k3o h ALA 24 CO 0.10 0.18 -0.65 0.74 0.00 0.00 0.00 179.25 179.61 2k3o h PHE 25 N 0.80 0.08 0.00 0.00 0.04 -1.02 -2.88 116.94 113.96 2k3o h PHE 25 Ca 0.22 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.83 2k3o h PHE 25 Cb -0.08 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2k3o h PHE 25 CO -0.03 0.69 -0.60 0.00 -0.60 0.00 0.00 178.31 177.77 2k3o h ALA 26 N 1.30 0.64 -0.50 2.45 0.00 -0.85 -3.31 119.26 118.99 2k3o h ALA 26 Ca -0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 2k3o h ALA 26 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k3o h ALA 26 CO 0.09 0.75 0.04 1.03 0.00 0.00 0.00 179.25 181.15 2k3o h SER 27 N 0.00 0.83 -3.79 0.00 0.87 -0.68 -3.43 113.55 107.35 2k3o h SER 27 Ca -0.01 -0.29 -0.50 0.00 -1.23 0.00 0.00 61.79 59.77 2k3o h SER 27 Cb 1.41 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2k3o h SER 27 CO 0.08 0.91 0.44 0.68 -0.53 0.00 0.00 176.83 178.41 2k3o s VAL 28 N -5.10 3.65 -0.08 2.23 -7.23 -1.09 -4.69 120.40 108.09 2k3o s VAL 28 Ca -0.12 1.66 0.12 0.00 -1.81 0.00 0.00 61.98 61.82 2k3o s VAL 28 Cb 0.12 -4.06 0.18 0.00 0.56 0.00 0.00 36.38 33.18 2k3o s VAL 28 CO 0.82 0.39 1.08 -1.20 -0.31 0.00 0.00 175.10 175.88 2k3o n SER 29 N 1.26 1.55 -3.91 4.85 7.64 -1.26 -4.87 113.62 118.88 2k3o n SER 29 Ca -0.01 -2.63 -0.16 0.00 1.01 0.00 0.00 58.87 57.07 2k3o n SER 29 Cb 0.45 -0.32 -0.15 0.00 -1.01 0.00 0.00 64.21 63.18 2k3o n SER 29 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k3o s SER 30 N -2.12 0.53 0.42 6.43 0.15 -1.26 -4.89 113.70 112.96 2k3o s SER 30 Ca 0.20 -0.07 0.10 0.00 0.70 0.00 0.00 55.95 56.87 2k3o s SER 30 Cb 0.17 -0.12 0.92 0.00 -1.71 0.00 0.00 66.02 65.28 2k3o s SER 30 CO 0.02 0.01 2.03 0.00 1.20 0.00 0.00 173.24 176.50 2k3o h ALA 31 N 6.37 1.83 -0.46 5.45 0.00 -1.90 -0.90 119.26 129.65 2k3o h ALA 31 Ca -0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2k3o h ALA 31 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2k3o h ALA 31 CO 0.50 0.11 -0.27 1.03 0.00 0.00 0.00 179.25 180.62 2k3o h SER 32 N 0.50 1.02 -0.34 0.00 0.87 -1.97 0.04 113.55 113.68 2k3o h SER 32 Ca 0.20 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2k3o h SER 32 Cb 0.18 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2k3o h SER 32 CO -0.05 1.22 0.07 0.00 -0.53 0.00 0.00 176.83 177.53 2k3o h ALA 33 N 0.84 0.44 -0.54 6.23 0.00 -1.78 0.47 119.26 124.93 2k3o h ALA 33 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2k3o h ALA 33 Cb 0.85 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2k3o h ALA 33 CO 0.08 0.13 0.22 0.00 0.00 0.00 0.00 179.25 179.67 2k3o h ALA 34 N 0.91 0.70 -0.16 0.00 0.00 -1.19 -0.62 119.26 118.88 2k3o h ALA 34 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k3o h ALA 34 Cb 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k3o h ALA 34 CO 0.00 0.31 -0.02 1.03 0.00 0.00 0.00 179.25 180.57 2k3o h SER 35 N 0.73 -0.12 -0.78 0.00 0.87 -0.84 0.94 113.55 114.36 2k3o h SER 35 Ca 0.18 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2k3o h SER 35 Cb 0.19 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2k3o h SER 35 CO -0.02 -0.04 0.31 0.28 -0.53 0.00 0.00 176.83 176.84 2k3o h SER 36 N 0.02 1.07 0.02 6.23 0.02 -0.80 0.37 113.55 120.49 2k3o h SER 36 Ca 0.08 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2k3o h SER 36 Cb 0.11 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2k3o h SER 36 CO -0.15 0.95 -0.01 0.17 -1.14 0.00 0.00 176.83 176.65 2k3o h LEU 37 N 1.14 -0.02 -1.48 5.07 8.10 -0.90 -0.72 115.31 126.50 2k3o h LEU 37 Ca 0.26 -0.27 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2k3o h LEU 37 Cb 0.21 0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.42 2k3o h LEU 37 CO -0.02 0.25 -0.07 0.00 -4.11 0.00 0.00 178.44 174.49 2k3o h ALA 38 N 0.67 1.58 0.72 0.17 0.00 -0.63 0.19 119.26 121.96 2k3o h ALA 38 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k3o h ALA 38 Cb 0.29 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k3o h ALA 38 CO 0.00 0.31 -0.35 -0.92 0.00 0.00 0.00 179.25 178.30 2k3o h TYR 39 N 0.24 -0.90 -0.88 0.00 5.03 -0.92 -0.14 116.97 119.40 2k3o h TYR 39 Ca 0.05 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.37 2k3o h TYR 39 Cb 0.29 0.30 -0.05 0.00 1.55 0.00 0.00 36.73 38.82 2k3o h TYR 39 CO 0.00 -0.54 0.58 -0.97 -1.32 0.00 0.00 178.16 175.91 2k3o h ASN 40 N -1.05 0.97 -0.26 -2.11 -0.73 -0.24 -0.07 115.58 112.09 2k3o h ASN 40 Ca -0.10 -0.01 -0.15 0.00 1.87 0.00 0.00 56.30 57.91 2k3o h ASN 40 Cb 0.76 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 2k3o h ASN 40 CO 0.16 0.68 -0.38 0.40 -0.37 0.00 0.00 177.43 177.93 2k3o h ILE 41 N 1.14 1.28 -0.72 2.57 1.08 -0.76 -3.01 117.51 119.10 2k3o h ILE 41 Ca 0.34 -1.55 0.09 0.00 -0.39 0.00 0.00 64.86 63.36 2k3o h ILE 41 Cb -0.05 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 2k3o h ILE 41 CO -0.10 0.51 0.47 1.23 -0.69 0.00 0.00 178.15 179.57 2k3o h GLY 42 N 0.89 0.88 0.95 5.37 0.00 -0.03 -1.49 103.07 109.64 2k3o h GLY 42 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.14 2k3o h GLY 42 CO 0.09 0.16 0.07 1.41 0.00 0.00 0.00 176.54 178.26 2k3o h LEU 43 N 0.63 0.10 -0.44 3.11 -0.00 -0.90 0.10 115.31 117.91 2k3o h LEU 43 Ca 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.10 2k3o h LEU 43 Cb 0.45 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2k3o h LEU 43 CO -0.11 0.08 -0.18 0.28 -0.00 0.00 0.00 178.44 178.50 2k3o h SER 44 N 0.14 0.93 -0.55 -0.43 0.02 -1.54 0.01 113.55 112.14 2k3o h SER 44 Ca 0.05 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2k3o h SER 44 Cb 0.01 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 2k3o h SER 44 CO -0.03 1.11 0.34 0.00 -1.14 0.00 0.00 176.83 177.10 2k3o h ALA 45 N 0.85 0.71 -0.83 3.77 0.00 -1.20 0.02 119.26 122.58 2k3o h ALA 45 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2k3o h ALA 45 Cb 0.75 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2k3o h ALA 45 CO 0.06 0.06 0.37 0.00 0.00 0.00 0.00 179.25 179.74 2k3o h ALA 46 N 1.24 1.07 -0.32 0.00 0.00 -0.61 -1.50 119.26 119.15 2k3o h ALA 46 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k3o h ALA 46 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2k3o h ALA 46 CO -0.09 0.67 0.08 0.00 0.00 0.00 0.00 179.25 179.91 2k3o h ARG 47 N 1.20 0.51 0.00 0.00 3.08 -0.69 -0.10 114.38 118.38 2k3o h ARG 47 Ca 0.28 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2k3o h ARG 47 Cb 0.17 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2k3o h ARG 47 CO -0.03 0.57 -0.04 0.77 -1.07 0.00 0.00 179.97 180.18 2k3o h SER 48 N 0.36 0.00 -0.34 7.04 0.02 -0.79 -2.04 113.55 117.79 2k3o h SER 48 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k3o h SER 48 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2k3o h SER 48 CO 0.00 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 175.91 2k3o n LEU 49 N -3.53 3.09 -2.68 5.07 4.77 -0.58 -5.01 117.00 118.13 2k3o n LEU 49 Ca -0.02 -1.59 -0.20 0.00 -0.03 0.00 0.00 56.01 54.16 2k3o n LEU 49 Cb 0.14 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2k3o n LEU 49 CO 0.26 0.70 -0.15 0.61 -1.33 0.00 0.00 177.39 177.48 2k3o n GLY 50 N 1.08 -0.51 3.72 -0.72 0.00 -0.38 -4.94 105.19 103.45 2k3o n GLY 50 Ca 0.15 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.99 2.32 -1.55 -0.61 -1.09 -0.19 -4.91 121.20 112.18 2k3o s ILE 51 Ca 0.13 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2k3o s ILE 51 Cb -0.06 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2k3o s ILE 51 CO 0.16 0.02 0.71 0.00 -1.23 0.00 0.00 174.94 174.60 2k3o n ALA 52 N 3.90 2.40 -2.69 9.38 0.00 -1.26 -3.77 120.51 128.47 2k3o n ALA 52 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 2k3o n ALA 52 Cb 0.37 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.26 -1.69 -0.09 0.00 7.64 -1.26 -5.04 113.62 112.92 2k3o n SER 53 Ca 0.00 -2.47 0.23 0.00 1.01 0.00 0.00 58.87 57.64 2k3o n SER 53 Cb 0.10 1.35 0.69 0.00 -1.01 0.00 0.00 64.21 65.34 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 2.73 0.04 -0.88 6.43 3.04 -1.93 -0.71 116.42 125.13 2k3o h ASP 54 Ca -0.23 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.58 2k3o h ASP 54 Cb 1.17 -0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.41 2k3o h ASP 54 CO 0.03 0.02 0.58 0.00 -2.04 0.00 0.00 179.24 177.82 2k3o h THR 55 N 0.04 1.19 0.02 1.15 1.03 -1.96 0.03 112.91 114.41 2k3o h THR 55 Ca 0.34 -0.40 -0.26 0.00 -0.01 0.00 0.00 66.41 66.08 2k3o h THR 55 Cb 1.28 -0.06 0.02 0.00 -1.07 0.00 0.00 68.15 68.32 2k3o h THR 55 CO -0.02 0.21 -1.06 0.00 -0.01 0.00 0.00 175.52 174.65 2k3o h ALA 56 N 1.34 0.16 0.14 0.00 0.00 -1.57 -0.63 119.26 118.70 2k3o h ALA 56 Ca 0.33 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2k3o h ALA 56 Cb -0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k3o h ALA 56 CO -0.09 0.72 -0.07 1.25 0.00 0.00 0.00 179.25 181.06 2k3o h LEU 57 N 0.34 -0.16 -1.20 0.00 7.12 -1.35 -0.33 115.31 119.75 2k3o h LEU 57 Ca -0.13 -0.21 0.02 0.00 0.13 0.00 0.00 57.88 57.70 2k3o h LEU 57 Cb 1.71 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.84 2k3o h LEU 57 CO 0.20 0.12 0.55 0.00 -0.13 0.00 0.00 178.44 179.18 2k3o h ALA 58 N 0.38 1.45 -0.26 1.25 0.00 -1.07 -0.23 119.26 120.78 2k3o h ALA 58 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k3o h ALA 58 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k3o h ALA 58 CO 0.03 0.49 0.11 0.78 0.00 0.00 0.00 179.25 180.66 2k3o h GLY 59 N 1.08 0.41 1.15 0.00 0.00 -1.00 0.86 103.07 105.58 2k3o h GLY 59 Ca 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2k3o h GLY 59 CO -0.08 0.21 0.23 0.00 0.00 0.00 0.00 176.54 176.90 2k3o h ALA 60 N 0.96 1.09 -0.56 3.60 0.00 -0.70 -0.89 119.26 122.75 2k3o h ALA 60 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2k3o h ALA 60 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k3o h ALA 60 CO -0.01 0.63 0.10 -0.07 0.00 0.00 0.00 179.25 179.90 2k3o h LEU 61 N 1.03 0.84 -0.40 0.00 3.38 -0.93 -0.75 115.31 118.49 2k3o h LEU 61 Ca 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2k3o h LEU 61 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2k3o h LEU 61 CO -0.01 0.85 0.13 0.00 0.09 0.00 0.00 178.44 179.50 2k3o h ALA 62 N 1.26 0.52 -0.34 1.53 0.00 -0.46 -2.32 119.26 119.45 2k3o h ALA 62 Ca 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 62 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k3o h ALA 62 CO 0.01 0.16 -0.00 1.96 0.00 0.00 0.00 179.25 181.37 2k3o h GLN 63 N 0.49 0.53 0.32 0.00 4.20 -1.00 0.54 115.11 120.19 2k3o h GLN 63 Ca 0.13 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2k3o h GLN 63 Cb 0.25 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2k3o h GLN 63 CO -0.01 0.55 -0.15 0.00 -0.67 0.00 0.00 178.83 178.56 2k3o h ALA 64 N 1.50 -0.42 -0.35 3.87 0.00 -0.93 -0.52 119.26 122.42 2k3o h ALA 64 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2k3o h ALA 64 Cb 0.33 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k3o h ALA 64 CO 0.01 -0.71 -0.04 0.28 0.00 0.00 0.00 179.25 178.78 2k3o h VAL 65 N -0.47 1.27 0.00 0.00 2.07 -1.34 -2.83 116.25 114.95 2k3o h VAL 65 Ca -0.04 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2k3o h VAL 65 Cb 0.36 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k3o h VAL 65 CO 0.07 0.35 -0.03 1.23 0.02 0.00 0.00 177.57 179.21 2k3o h GLY 66 N 0.44 0.00 1.02 2.17 0.00 -0.90 0.04 103.07 105.84 2k3o h GLY 66 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2k3o h GLY 66 CO 0.03 0.00 0.40 -1.33 0.00 0.00 0.00 176.54 175.63 2k3o h GLY 67 N 0.19 1.19 0.20 4.60 0.00 -0.82 -3.27 103.07 105.16 2k3o h GLY 67 Ca -0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 47.33 46.54 2k3o h GLY 67 CO 0.00 0.54 -1.15 -2.08 0.00 0.00 0.00 176.54 173.86 2k3o h VAL 68 N 1.10 1.07 -1.15 4.60 2.07 -1.53 -3.52 116.25 118.89 2k3o h VAL 68 Ca 0.27 -2.28 0.12 0.00 0.82 0.00 0.00 66.70 65.63 2k3o h VAL 68 Cb 0.09 2.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 2k3o h VAL 68 CO -0.04 0.51 -0.38 0.61 0.02 0.00 0.00 177.57 178.29 2k3o n GLY 69 N 1.59 -2.62 3.72 2.17 0.00 -0.03 -4.90 105.19 105.12 2k3o n GLY 69 Ca -0.26 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2k3o n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3o n ALA 70 N -2.78 2.51 0.00 4.61 0.00 -1.26 -3.98 120.51 119.61 2k3o n ALA 70 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2k3o n ALA 70 Cb 0.23 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.20 2k3o n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3o n GLY 71 N 3.19 4.34 3.57 0.00 0.00 -1.26 -4.82 105.19 110.21 2k3o n GLY 71 Ca 0.13 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.01 0.12 0.76 4.61 0.00 -1.26 -5.04 121.76 120.94 2k3o s ALA 72 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 2k3o s ALA 72 Cb 0.00 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.99 2k3o s ALA 72 CO 0.00 -3.43 1.11 -1.54 0.00 0.00 0.00 175.76 171.90 2k3o s SER 73 N -2.97 4.46 0.53 0.00 1.04 -1.26 -4.95 113.70 110.55 2k3o s SER 73 Ca 0.67 1.94 0.21 0.00 0.48 0.00 0.00 55.95 59.25 2k3o s SER 73 Cb -0.22 -2.54 1.34 0.00 0.10 0.00 0.00 66.02 64.70 2k3o s SER 73 CO 0.61 -2.07 2.08 0.00 0.98 0.00 0.00 173.24 174.84 2k3o h ALA 74 N -0.87 2.23 -0.85 5.32 0.00 -1.93 -1.61 119.26 121.56 2k3o h ALA 74 Ca -0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2k3o h ALA 74 Cb 1.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2k3o h ALA 74 CO 0.51 -0.31 0.56 1.03 0.00 0.00 0.00 179.25 181.04 2k3o h SER 75 N 0.00 0.96 -0.50 0.00 0.87 -1.93 0.90 113.55 113.85 2k3o h SER 75 Ca 0.12 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2k3o h SER 75 Cb 0.48 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2k3o h SER 75 CO -0.00 0.68 0.11 0.00 -0.53 0.00 0.00 176.83 177.09 2k3o h ALA 76 N 1.48 0.66 -0.30 6.23 0.00 -1.66 0.11 119.26 125.78 2k3o h ALA 76 Ca 0.32 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2k3o h ALA 76 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2k3o h ALA 76 CO -0.08 0.37 -0.18 1.88 0.00 0.00 0.00 179.25 181.24 2k3o h TYR 77 N 0.69 0.76 -1.00 0.00 0.05 -1.46 -0.98 116.97 115.03 2k3o h TYR 77 Ca 0.16 -0.20 0.07 0.00 0.05 0.00 0.00 58.73 58.81 2k3o h TYR 77 Cb 0.35 -0.17 -0.07 0.00 1.01 0.00 0.00 36.73 37.85 2k3o h TYR 77 CO 0.02 0.89 0.64 0.00 -1.05 0.00 0.00 178.16 178.67 2k3o h ALA 78 N 0.75 1.43 -0.03 3.88 0.00 -0.75 0.18 119.26 124.70 2k3o h ALA 78 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k3o h ALA 78 Cb 0.71 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k3o h ALA 78 CO 0.05 0.41 0.01 -0.97 0.00 0.00 0.00 179.25 178.75 2k3o h ASN 79 N 1.15 0.05 -0.49 0.00 -0.73 -0.57 0.99 115.58 115.98 2k3o h ASN 79 Ca 0.44 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 2k3o h ASN 79 Cb 0.21 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 2k3o h ASN 79 CO -0.18 0.28 0.20 0.00 -0.37 0.00 0.00 177.43 177.36 2k3o h ALA 80 N 0.78 0.63 0.37 1.57 0.00 -0.80 0.10 119.26 121.91 2k3o h ALA 80 Ca 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2k3o h ALA 80 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k3o h ALA 80 CO 0.00 0.23 -0.18 0.82 0.00 0.00 0.00 179.25 180.12 2k3o h ILE 81 N 0.64 0.64 0.00 0.00 2.04 -0.67 0.20 117.51 120.35 2k3o h ILE 81 Ca 0.16 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 2k3o h ILE 81 Cb 0.18 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2k3o h ILE 81 CO -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.01 2k3o h ALA 82 N 0.13 1.08 0.10 1.87 0.00 -0.69 0.19 119.26 121.94 2k3o h ALA 82 Ca -0.05 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 2k3o h ALA 82 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k3o h ALA 82 CO 0.08 0.16 -1.27 0.00 0.00 0.00 0.00 179.25 178.23 2k3o h ARG 83 N 0.00 0.21 0.06 0.00 3.08 -0.69 0.34 114.38 117.37 2k3o h ARG 83 Ca -0.00 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 2k3o h ARG 83 Cb 0.54 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2k3o h ARG 83 CO 0.02 1.13 -0.03 0.00 -1.07 0.00 0.00 179.97 180.02 2k3o h ALA 84 N 0.66 -0.08 -0.55 0.04 0.00 -0.03 0.93 119.26 120.23 2k3o h ALA 84 Ca -0.14 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k3o h ALA 84 Cb 1.94 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 2k3o h ALA 84 CO 0.18 -0.21 0.35 0.00 0.00 0.00 0.00 179.25 179.57 2k3o h ALA 85 N 0.06 0.70 -0.12 0.00 0.00 -0.82 -0.64 119.26 118.45 2k3o h ALA 85 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k3o h ALA 85 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k3o h ALA 85 CO 0.01 0.10 0.06 0.78 0.00 0.00 0.00 179.25 180.21 2k3o h GLY 86 N 0.71 0.18 0.96 0.00 0.00 -0.95 0.17 103.07 104.14 2k3o h GLY 86 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2k3o h GLY 86 CO -0.07 0.08 0.20 1.46 0.00 0.00 0.00 176.54 178.21 2k3o h GLN 87 N 0.09 0.62 -0.10 4.80 4.20 -0.79 0.30 115.11 124.24 2k3o h GLN 87 Ca 0.04 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2k3o h GLN 87 Cb 0.08 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2k3o h GLN 87 CO -0.01 0.55 0.02 0.35 -0.67 0.00 0.00 178.83 179.07 2k3o h PHE 88 N 0.55 0.17 0.00 2.96 3.04 -0.93 -0.42 116.94 122.31 2k3o h PHE 88 Ca 0.15 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 2k3o h PHE 88 Cb 0.13 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 2k3o h PHE 88 CO -0.01 0.34 -0.32 -0.07 -2.02 0.00 0.00 178.31 176.23 2k3o h LEU 89 N -0.06 0.00 -0.15 0.59 3.38 -0.68 -0.39 115.31 118.01 2k3o h LEU 89 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 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 0.32 -0.03 0.00 0.09 0.00 0.00 178.44 178.82 2k3o h ALA 90 N 1.68 0.21 -0.03 1.53 0.00 -0.75 -0.15 119.26 121.75 2k3o h ALA 90 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2k3o h ALA 90 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k3o h ALA 90 CO 0.04 -0.04 -0.44 1.79 0.00 0.00 0.00 179.25 180.60 2k3o h THR 91 N -0.00 1.32 0.00 0.00 1.35 -0.82 -1.77 112.91 113.00 2k3o h THR 91 Ca 0.04 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2k3o h THR 91 Cb 0.46 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2k3o h THR 91 CO 0.01 0.45 0.00 0.00 -0.25 0.00 0.00 175.52 175.73 2k3o n GLN 92 N -4.01 0.10 -1.66 4.72 1.13 -0.18 -4.93 117.38 112.56 2k3o n GLN 92 Ca -0.02 0.11 -0.19 0.00 -1.94 0.00 0.00 57.00 54.96 2k3o n GLN 92 Cb 0.48 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.25 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 0.70 1.57 0.27 1.08 0.00 -0.66 -4.89 105.19 103.25 2k3o n GLY 93 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 1.22 -3.07 1.61 2.07 -1.30 -3.43 116.25 113.35 2k3o h VAL 94 Ca -0.40 -0.92 -0.62 0.00 0.82 0.00 0.00 66.70 65.58 2k3o h VAL 94 Cb 1.26 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 31.94 2k3o h VAL 94 CO 0.57 0.31 -0.60 -1.48 0.02 0.00 0.00 177.57 176.40 2k3o s LEU 95 N -9.02 3.78 0.02 2.57 0.05 -1.14 -5.04 118.68 109.89 2k3o s LEU 95 Ca -0.08 -0.05 -0.16 0.00 0.05 0.00 0.00 54.13 53.89 2k3o s LEU 95 Cb 0.15 -2.45 0.03 0.00 -2.05 0.00 0.00 46.19 41.87 2k3o s LEU 95 CO 0.78 0.15 0.34 0.20 -0.55 0.00 0.00 176.35 177.27 2k3o s ASN 96 N -2.57 -0.20 0.62 1.48 0.01 -1.26 -4.79 114.94 108.23 2k3o s ASN 96 Ca 0.30 -0.01 0.27 0.00 -0.71 0.00 0.00 52.86 52.70 2k3o s ASN 96 Cb -0.12 0.36 1.48 0.00 0.41 0.00 0.00 41.25 43.39 2k3o s ASN 96 CO 0.22 -0.56 1.82 0.00 -1.51 0.00 0.00 177.10 177.07 2k3o h ALA 97 N 3.40 1.33 -0.80 0.60 0.00 -1.98 0.24 119.26 122.06 2k3o h ALA 97 Ca -0.31 0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.78 2k3o h ALA 97 Cb 1.19 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2k3o h ALA 97 CO 0.43 -0.33 -0.05 0.28 0.00 0.00 0.00 179.25 179.58 2k3o h VAL 98 N 0.00 0.26 0.00 0.00 2.07 -2.03 -3.38 116.25 113.16 2k3o h VAL 98 Ca 0.00 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 2k3o h VAL 98 Cb 0.68 0.19 -0.12 0.00 -1.52 0.00 0.00 31.29 30.53 2k3o h VAL 98 CO 0.00 0.01 -0.26 -0.46 0.02 0.00 0.00 177.57 176.88 2k3o n ASN 99 N -5.42 -0.89 -0.33 0.57 2.04 -0.46 -5.01 115.26 105.77 2k3o n ASN 99 Ca 0.14 -1.82 0.06 0.00 -0.44 0.00 0.00 54.58 52.52 2k3o n ASN 99 Cb 0.49 0.27 0.22 0.00 -2.53 0.00 0.00 39.78 38.22 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 1.37 0.92 -2.53 0.00 -0.77 0.28 119.26 118.54 2k3o h ALA 100 Ca -0.50 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2k3o h ALA 100 Cb 1.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k3o h ALA 100 CO -0.26 0.13 -0.49 0.66 0.00 0.00 0.00 179.25 179.29 2k3o h SER 101 N 0.87 -1.19 -0.82 0.00 4.64 -1.83 -3.00 113.55 112.22 2k3o h SER 101 Ca 0.46 0.05 0.14 0.00 -0.47 0.00 0.00 61.79 61.97 2k3o h SER 101 Cb 0.48 0.32 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 2k3o h SER 101 CO -0.28 -0.80 0.54 -1.28 -0.87 0.00 0.00 176.83 174.15 2k3o h SER 102 N -1.30 0.56 0.45 4.97 0.87 -1.62 0.13 113.55 117.62 2k3o h SER 102 Ca -0.13 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2k3o h SER 102 Cb 1.01 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2k3o h SER 102 CO 0.18 0.30 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.52 2k3o h LEU 103 N 0.60 0.00 -0.80 2.23 3.38 -1.03 -2.19 115.31 117.51 2k3o h LEU 103 Ca 0.41 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.42 2k3o h LEU 103 Cb 0.71 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2k3o h LEU 103 CO -0.16 0.18 0.50 1.23 0.09 0.00 0.00 178.44 180.28 2k3o h GLY 104 N 1.08 1.18 1.70 0.83 0.00 -0.58 -0.97 103.07 106.32 2k3o h GLY 104 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2k3o h GLY 104 CO 0.02 0.28 -0.24 0.23 0.00 0.00 0.00 176.54 176.83 2k3o h SER 105 N 0.93 0.35 -0.15 0.19 0.87 -1.40 -0.02 113.55 114.33 2k3o h SER 105 Ca 0.34 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2k3o h SER 105 Cb 0.10 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2k3o h SER 105 CO -0.15 0.59 -0.00 0.00 -0.53 0.00 0.00 176.83 176.74 2k3o h ALA 106 N 1.44 0.20 -0.47 6.23 0.00 -1.06 0.62 119.26 126.22 2k3o h ALA 106 Ca 0.05 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2k3o h ALA 106 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k3o h ALA 106 CO 0.04 -0.09 -0.21 1.25 0.00 0.00 0.00 179.25 180.24 2k3o h LEU 107 N -0.00 0.97 -1.05 0.00 6.46 -1.20 -1.43 115.31 119.06 2k3o h LEU 107 Ca 0.04 -0.36 -0.04 0.00 -0.12 0.00 0.00 57.88 57.39 2k3o h LEU 107 Cb 0.38 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2k3o h LEU 107 CO 0.01 1.14 0.17 0.00 -0.62 0.00 0.00 178.44 179.14 2k3o h ALA 108 N 0.93 1.24 -0.34 1.25 0.00 -0.96 0.20 119.26 121.58 2k3o h ALA 108 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2k3o h ALA 108 Cb 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k3o h ALA 108 CO 0.06 0.54 -0.04 -0.97 0.00 0.00 0.00 179.25 178.84 2k3o h ASN 109 N 0.83 0.51 -0.15 0.00 -0.73 -0.77 0.14 115.58 115.41 2k3o h ASN 109 Ca 0.19 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2k3o h ASN 109 Cb 0.25 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.70 2k3o h ASN 109 CO -0.01 0.60 -0.02 0.00 -0.37 0.00 0.00 177.43 177.63 2k3o h ALA 110 N 1.46 0.20 -0.65 1.57 0.00 -0.12 0.16 119.26 121.88 2k3o h ALA 110 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2k3o h ALA 110 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2k3o h ALA 110 CO 0.02 -0.06 0.07 -0.07 0.00 0.00 0.00 179.25 179.20 2k3o h LEU 111 N -0.01 1.06 -0.28 0.00 3.38 -1.00 -2.79 115.31 115.67 2k3o h LEU 111 Ca 0.04 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 2k3o h LEU 111 Cb 0.44 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k3o h LEU 111 CO 0.01 1.07 -0.26 -1.28 0.09 0.00 0.00 178.44 178.08 2k3o h SER 112 N 1.01 0.71 -0.61 -0.43 0.87 -0.66 0.64 113.55 115.09 2k3o h SER 112 Ca 0.19 -0.46 0.07 0.00 -1.23 0.00 0.00 61.79 60.35 2k3o h SER 112 Cb 0.49 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 2k3o h SER 112 CO 0.02 1.03 0.30 0.44 -0.53 0.00 0.00 176.83 178.09 2k3o h ASP 113 N 0.41 0.41 -0.14 6.23 5.19 -0.72 0.15 116.42 127.95 2k3o h ASP 113 Ca 0.05 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2k3o h ASP 113 Cb 0.82 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.29 2k3o h ASP 113 CO 0.07 0.26 -0.01 -1.28 -3.12 0.00 0.00 179.24 175.15 2k3o h SER 114 N 0.55 0.25 -0.09 6.45 0.87 -1.41 -1.92 113.55 118.25 2k3o h SER 114 Ca 0.28 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 2k3o h SER 114 Cb 0.23 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2k3o h SER 114 CO -0.21 0.53 -0.27 0.00 -0.53 0.00 0.00 176.83 176.35 2k3o h ALA 115 N 0.73 1.03 -0.49 6.23 0.00 -0.58 0.25 119.26 126.44 2k3o h ALA 115 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2k3o h ALA 115 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k3o h ALA 115 CO 0.01 0.58 0.17 0.00 0.00 0.00 0.00 179.25 180.02 2k3o h ALA 116 N 1.24 0.64 -0.23 0.00 0.00 -0.76 -1.61 119.26 118.54 2k3o h ALA 116 Ca 0.07 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2k3o h ALA 116 Cb 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k3o h ALA 116 CO 0.05 0.27 -0.18 -0.97 0.00 0.00 0.00 179.25 178.42 2k3o h ASN 117 N 0.65 0.40 -0.84 0.00 -1.24 -1.00 -2.95 115.58 110.60 2k3o h ASN 117 Ca 0.16 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 2k3o h ASN 117 Cb 0.23 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 2k3o h ASN 117 CO -0.01 0.60 0.45 -1.28 -1.29 0.00 0.00 177.43 175.90 2k3o h SER 118 N 0.38 1.05 0.15 1.15 0.87 -0.19 -0.78 113.55 116.17 2k3o h SER 118 Ca 0.07 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2k3o h SER 118 Cb 0.54 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2k3o h SER 118 CO 0.04 0.85 -0.01 0.00 -0.53 0.00 0.00 176.83 177.18 2k3o h ALA 119 N 1.24 1.06 0.04 6.23 0.00 -1.13 -2.10 119.26 124.61 2k3o h ALA 119 Ca 0.29 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 2k3o h ALA 119 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k3o h ALA 119 CO -0.05 0.01 -1.04 -0.24 0.00 0.00 0.00 179.25 177.93 2k3o h VAL 120 N 0.00 1.58 0.00 0.00 3.04 -1.04 -3.33 116.25 116.49 2k3o h VAL 120 Ca -0.00 -3.05 0.00 0.00 -1.01 0.00 0.00 66.70 62.64 2k3o h VAL 120 Cb 0.08 2.76 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 2k3o h VAL 120 CO 0.00 0.88 0.00 -1.20 -1.01 0.00 0.00 177.57 176.24 2k3o n SER 121 N -3.51 0.00 0.00 3.17 7.64 -0.79 -4.90 113.62 115.23 2k3o n SER 121 Ca -0.04 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2k3o n SER 121 Cb 0.93 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.05 1.36 0.18 0.23 0.00 -1.24 -4.71 105.19 100.95 2k3o n GLY 122 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2k3o n GLY 122 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k3o h ASN 123 N 0.00 0.00 -0.24 1.61 -0.00 -1.81 -2.49 115.58 112.65 2k3o h ASN 123 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.30 56.37 2k3o h ASN 123 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 2k3o h ASN 123 CO 0.00 0.00 0.19 0.10 -0.00 0.00 0.00 177.43 177.72 2k3o h TYR 124 N 0.00 0.00 0.00 4.14 -0.00 -1.85 -0.01 116.97 119.25 2k3o h TYR 124 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 2k3o h TYR 124 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.06 2k3o h TYR 124 CO 0.00 0.00 -0.01 1.28 -0.00 0.00 0.00 178.16 179.43 2k3o n LEU 125 N -4.25 3.56 -1.83 0.10 4.77 -0.94 -4.65 117.00 113.75 2k3o n LEU 125 Ca 0.03 -1.69 -0.13 0.00 -0.03 0.00 0.00 56.01 54.19 2k3o n LEU 125 Cb 0.34 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 2k3o n LEU 125 CO 0.33 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2k3o n GLY 126 N 1.79 -0.00 3.46 -0.72 0.00 -1.16 -3.59 105.19 104.97 2k3o n GLY 126 Ca 0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 2k3o n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k3o n VAL 127 N -3.97 -6.67 -3.88 1.61 0.31 -0.03 -5.05 118.33 100.66 2k3o n VAL 127 Ca -0.06 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 63.93 2k3o n VAL 127 Cb 0.57 -4.87 -0.07 0.00 -0.91 0.00 0.00 33.84 28.56 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 -3.06 0.05 0.00 4.52 0.15 -1.24 -5.02 113.70 109.11 2k3o s SER 128 Ca 0.06 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2k3o s SER 128 Cb -0.02 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2k3o s SER 128 CO 0.83 -0.82 0.00 1.67 1.20 0.00 0.00 173.24 176.12 2k3o n GLN 129 N -0.15 0.00 0.00 5.44 7.27 -1.26 -4.66 117.38 124.02 2k3o n GLN 129 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 2k3o n GLN 129 Cb 0.63 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.28 2k3o n GLN 129 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40