#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3o n TYR 3 N 0.00 -2.31 -0.15 7.33 4.01 -1.26 -4.71 117.16 120.07 2k3o n TYR 3 Ca 0.00 -1.69 0.11 0.00 -0.16 0.00 0.00 57.90 56.16 2k3o n TYR 3 Cb 0.00 1.50 0.44 0.00 -0.31 0.00 0.00 39.34 40.97 2k3o n TYR 3 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2k3o h SER 4 N 3.00 0.49 -0.37 7.72 4.64 -1.96 0.32 113.55 127.39 2k3o h SER 4 Ca -0.16 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 2k3o h SER 4 Cb 1.12 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2k3o h SER 4 CO 0.12 0.29 0.13 0.28 -0.87 0.00 0.00 176.83 176.77 2k3o h SER 5 N 0.55 0.54 -0.20 4.97 0.02 -1.95 0.47 113.55 117.94 2k3o h SER 5 Ca 0.33 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.90 2k3o h SER 5 Cb 0.55 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.96 2k3o h SER 5 CO -0.11 0.59 -0.60 0.00 -1.14 0.00 0.00 176.83 175.57 2k3o h ALA 6 N 0.97 0.34 -0.20 3.77 0.00 -1.75 0.87 119.26 123.26 2k3o h ALA 6 Ca 0.12 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2k3o h ALA 6 Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k3o h ALA 6 CO -0.01 0.59 -0.00 0.35 0.00 0.00 0.00 179.25 180.18 2k3o h PHE 7 N 0.49 -0.02 0.00 0.00 3.04 -0.97 -1.55 116.94 117.94 2k3o h PHE 7 Ca -0.02 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2k3o h PHE 7 Cb 1.22 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 2k3o h PHE 7 CO 0.09 -0.03 -0.17 0.00 -2.02 0.00 0.00 178.31 176.17 2k3o h ALA 8 N 1.17 1.27 0.15 2.41 0.00 -0.82 0.46 119.26 123.90 2k3o h ALA 8 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k3o h ALA 8 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k3o h ALA 8 CO -0.16 0.22 -0.07 1.96 0.00 0.00 0.00 179.25 181.19 2k3o h GLN 9 N 0.00 -0.19 -0.43 0.00 4.20 -0.02 0.17 115.11 118.84 2k3o h GLN 9 Ca -0.00 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 2k3o h GLN 9 Cb 0.45 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2k3o h GLN 9 CO 0.02 0.17 -0.17 0.00 -0.67 0.00 0.00 178.83 178.18 2k3o h ALA 10 N 0.18 0.60 0.15 3.87 0.00 -1.24 0.45 119.26 123.27 2k3o h ALA 10 Ca -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2k3o h ALA 10 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k3o h ALA 10 CO 0.03 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 2k3o h ALA 11 N 0.84 -0.21 -0.95 0.00 0.00 -0.97 -1.44 119.26 116.52 2k3o h ALA 11 Ca 0.10 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2k3o h ALA 11 Cb 0.73 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2k3o h ALA 11 CO 0.06 -0.60 0.61 1.03 0.00 0.00 0.00 179.25 180.35 2k3o h SER 12 N -0.24 0.99 -0.29 0.00 0.87 -0.63 0.27 113.55 114.52 2k3o h SER 12 Ca -0.02 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2k3o h SER 12 Cb 0.18 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 2k3o h SER 12 CO 0.03 0.64 0.06 -1.28 -0.53 0.00 0.00 176.83 175.75 2k3o h SER 13 N 1.13 0.01 -0.12 6.23 0.87 -0.55 0.14 113.55 121.26 2k3o h SER 13 Ca 0.41 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.91 2k3o h SER 13 Cb 0.13 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2k3o h SER 13 CO -0.16 0.04 -0.31 0.28 -0.53 0.00 0.00 176.83 176.15 2k3o h SER 14 N 0.17 0.48 -0.84 6.23 0.02 -0.92 -2.87 113.55 115.83 2k3o h SER 14 Ca 0.13 -0.58 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 2k3o h SER 14 Cb 0.14 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2k3o h SER 14 CO -0.18 0.98 0.38 -0.07 -1.14 0.00 0.00 176.83 176.81 2k3o h LEU 15 N 0.01 1.11 -1.05 5.07 3.38 -0.33 0.23 115.31 123.74 2k3o h LEU 15 Ca -0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2k3o h LEU 15 Cb 0.92 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2k3o h LEU 15 CO 0.07 0.95 -0.37 0.00 0.09 0.00 0.00 178.44 179.18 2k3o h ALA 16 N 1.21 1.20 0.00 1.53 0.00 -0.83 -2.71 119.26 119.67 2k3o h ALA 16 Ca 0.29 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2k3o h ALA 16 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k3o h ALA 16 CO -0.03 0.54 -0.69 1.15 0.00 0.00 0.00 179.25 180.22 2k3o h THR 17 N 0.17 1.38 -1.52 0.00 2.02 -1.20 -3.41 112.91 110.37 2k3o h THR 17 Ca 0.02 -2.47 -0.72 0.00 0.77 0.00 0.00 66.41 64.01 2k3o h THR 17 Cb 0.73 2.37 -0.14 0.00 -1.74 0.00 0.00 68.15 69.38 2k3o h THR 17 CO 0.06 0.68 1.84 -0.24 0.37 0.00 0.00 175.52 178.22 2k3o n SER 18 N -3.55 5.02 0.09 4.18 2.88 0.78 -4.84 113.62 118.19 2k3o n SER 18 Ca -0.00 -2.97 0.20 0.00 -1.33 0.00 0.00 58.87 54.77 2k3o n SER 18 Cb 0.72 -1.61 0.75 0.00 -0.75 0.00 0.00 64.21 63.31 2k3o n SER 18 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k3o h SER 19 N 6.96 0.00 -0.09 -3.46 0.02 -1.81 0.21 113.55 115.38 2k3o h SER 19 Ca 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2k3o h SER 19 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 2k3o h SER 19 CO 1.41 0.00 0.06 0.00 -1.14 0.00 0.00 176.83 177.16 2k3o h ALA 20 N 1.53 1.92 0.04 3.77 0.00 -1.93 0.96 119.26 125.55 2k3o h ALA 20 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k3o h ALA 20 Cb 1.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2k3o h ALA 20 CO -0.00 0.07 -0.02 0.82 0.00 0.00 0.00 179.25 180.12 2k3o h ILE 21 N 0.13 1.32 -0.73 0.00 1.08 -1.27 -2.44 117.51 115.60 2k3o h ILE 21 Ca 0.03 -1.72 0.06 0.00 -0.39 0.00 0.00 64.86 62.85 2k3o h ILE 21 Cb -0.01 2.38 -0.06 0.00 -3.07 0.00 0.00 36.82 36.06 2k3o h ILE 21 CO -0.01 0.40 0.42 0.28 -0.69 0.00 0.00 178.15 178.56 2k3o h SER 22 N -0.88 0.64 0.02 1.72 0.02 -1.38 -1.21 113.55 112.49 2k3o h SER 22 Ca -0.00 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 2k3o h SER 22 Cb 0.70 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2k3o h SER 22 CO 0.01 0.41 -0.53 0.08 -1.14 0.00 0.00 176.83 175.65 2k3o h ARG 23 N 0.77 0.55 -0.65 3.45 -0.00 -0.95 -0.79 114.38 116.76 2k3o h ARG 23 Ca 0.32 -0.34 -0.03 0.00 -0.00 0.00 0.00 59.98 59.93 2k3o h ARG 23 Cb 0.19 0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 30.16 2k3o h ARG 23 CO -0.18 0.95 0.27 0.00 -0.00 0.00 0.00 179.97 181.00 2k3o h ALA 24 N 0.99 1.24 -0.01 0.08 0.00 -0.85 0.17 119.26 120.88 2k3o h ALA 24 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k3o h ALA 24 Cb 1.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k3o h ALA 24 CO 0.10 0.56 -0.01 0.74 0.00 0.00 0.00 179.25 180.64 2k3o h PHE 25 N 0.94 0.03 0.00 0.00 0.04 -1.20 -3.21 116.94 113.55 2k3o h PHE 25 Ca 0.22 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.98 2k3o h PHE 25 Cb 0.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2k3o h PHE 25 CO 0.01 0.42 0.00 0.00 -0.60 0.00 0.00 178.31 178.15 2k3o h ALA 26 N 0.61 1.00 0.00 2.45 0.00 -0.81 -1.53 119.26 120.97 2k3o h ALA 26 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k3o h ALA 26 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k3o h ALA 26 CO 0.00 0.00 -0.06 1.03 0.00 0.00 0.00 179.25 180.23 2k3o h SER 27 N 0.00 0.00 -3.28 0.00 0.87 -0.66 -3.44 113.55 107.04 2k3o h SER 27 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 2k3o h SER 27 Cb 0.14 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2k3o h SER 27 CO 0.00 0.06 0.03 0.68 -0.53 0.00 0.00 176.83 177.07 2k3o s VAL 28 N -4.23 4.44 0.00 2.23 -7.23 -0.58 -4.88 120.40 110.16 2k3o s VAL 28 Ca -0.03 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2k3o s VAL 28 Cb 0.13 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.39 2k3o s VAL 28 CO 0.54 -0.60 0.61 -1.20 -0.31 0.00 0.00 175.10 174.13 2k3o n SER 29 N -2.22 1.13 -3.79 4.85 7.64 -1.26 -4.91 113.62 115.06 2k3o n SER 29 Ca 0.01 -1.33 -0.13 0.00 1.01 0.00 0.00 58.87 58.43 2k3o n SER 29 Cb 0.56 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.33 -0.14 0.45 6.43 0.15 -1.26 -4.91 113.70 114.08 2k3o s SER 30 Ca 0.00 0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.89 2k3o s SER 30 Cb 0.00 0.31 1.05 0.00 -1.71 0.00 0.00 66.02 65.67 2k3o s SER 30 CO 0.00 -0.39 1.96 0.00 1.20 0.00 0.00 173.24 176.02 2k3o h ALA 31 N 4.17 1.47 -0.00 5.45 0.00 -1.94 -1.31 119.26 127.10 2k3o h ALA 31 Ca -0.30 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2k3o h ALA 31 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k3o h ALA 31 CO 0.39 0.27 -0.26 0.77 0.00 0.00 0.00 179.25 180.43 2k3o h SER 32 N 0.00 0.01 0.20 0.00 0.02 -1.96 0.12 113.55 111.93 2k3o h SER 32 Ca -0.00 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2k3o h SER 32 Cb 0.43 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.99 2k3o h SER 32 CO 0.03 0.26 -1.38 0.00 -1.14 0.00 0.00 176.83 174.60 2k3o h ALA 33 N 1.74 -0.03 -0.64 3.77 0.00 -1.68 -2.48 119.26 119.94 2k3o h ALA 33 Ca -0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 54.91 53.92 2k3o h ALA 33 Cb 0.46 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2k3o h ALA 33 CO 0.03 0.71 0.12 0.00 0.00 0.00 0.00 179.25 180.12 2k3o h ALA 34 N 0.10 1.01 -0.54 0.00 0.00 -1.37 -0.88 119.26 117.58 2k3o h ALA 34 Ca -0.26 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2k3o h ALA 34 Cb 1.98 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 2k3o h ALA 34 CO 0.20 0.63 0.09 0.66 0.00 0.00 0.00 179.25 180.83 2k3o h SER 35 N 0.97 0.85 -0.77 0.00 4.64 -0.84 0.18 113.55 118.58 2k3o h SER 35 Ca 0.20 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2k3o h SER 35 Cb 0.39 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 2k3o h SER 35 CO 0.01 0.89 0.43 -1.28 -0.87 0.00 0.00 176.83 176.01 2k3o h SER 36 N 0.78 0.95 0.24 4.97 0.87 -1.38 0.25 113.55 120.24 2k3o h SER 36 Ca 0.16 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2k3o h SER 36 Cb 0.40 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2k3o h SER 36 CO 0.01 0.77 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.89 2k3o h LEU 37 N 1.06 -0.28 -1.60 2.23 3.38 -0.77 0.34 115.31 119.68 2k3o h LEU 37 Ca 0.27 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2k3o h LEU 37 Cb 0.02 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2k3o h LEU 37 CO -0.05 -0.06 0.36 0.00 0.09 0.00 0.00 178.44 178.78 2k3o h ALA 38 N 0.22 1.86 0.26 1.53 0.00 -0.57 0.10 119.26 122.66 2k3o h ALA 38 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k3o h ALA 38 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k3o h ALA 38 CO 0.05 0.05 -0.12 -0.92 0.00 0.00 0.00 179.25 178.31 2k3o h TYR 39 N 0.50 -0.32 -0.25 0.00 5.03 -0.83 -0.28 116.97 120.81 2k3o h TYR 39 Ca 0.23 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.55 2k3o h TYR 39 Cb 0.27 0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 2k3o h TYR 39 CO -0.00 0.01 0.13 -0.97 -1.32 0.00 0.00 178.16 176.01 2k3o h ASN 40 N -0.69 0.19 0.85 -2.11 -1.24 0.02 -0.15 115.58 112.46 2k3o h ASN 40 Ca -0.04 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 2k3o h ASN 40 Cb 0.48 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2k3o h ASN 40 CO 0.06 0.14 -0.35 0.16 -1.29 0.00 0.00 177.43 176.16 2k3o h ILE 41 N 0.27 0.83 -0.78 2.57 3.07 -0.98 -3.11 117.51 119.38 2k3o h ILE 41 Ca 0.10 -1.44 -0.01 0.00 1.55 0.00 0.00 64.86 65.06 2k3o h ILE 41 Cb 0.02 1.89 -0.04 0.00 -0.27 0.00 0.00 36.82 38.43 2k3o h ILE 41 CO -0.07 0.34 0.46 1.23 -1.05 0.00 0.00 178.15 179.06 2k3o h GLY 42 N 2.05 1.13 0.79 0.16 0.00 0.25 -0.09 103.07 107.37 2k3o h GLY 42 Ca -0.00 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.87 2k3o h GLY 42 CO 0.05 0.47 0.09 1.41 0.00 0.00 0.00 176.54 178.55 2k3o h LEU 43 N 1.06 0.10 -0.71 3.11 -0.00 -1.01 0.10 115.31 117.96 2k3o h LEU 43 Ca 0.28 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.15 2k3o h LEU 43 Cb -0.02 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.62 2k3o h LEU 43 CO -0.05 0.09 0.32 0.28 -0.00 0.00 0.00 178.44 179.08 2k3o h SER 44 N 0.20 0.95 -0.19 -0.43 0.02 -1.50 0.14 113.55 112.74 2k3o h SER 44 Ca 0.11 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2k3o h SER 44 Cb 0.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2k3o h SER 44 CO -0.12 0.84 -0.01 0.00 -1.14 0.00 0.00 176.83 176.39 2k3o h ALA 45 N 1.16 0.26 -0.92 3.77 0.00 -0.89 -1.50 119.26 121.14 2k3o h ALA 45 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k3o h ALA 45 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2k3o h ALA 45 CO -0.03 -0.00 0.53 0.00 0.00 0.00 0.00 179.25 179.75 2k3o h ALA 46 N 0.77 1.19 -0.26 0.00 0.00 -0.65 -1.32 119.26 118.98 2k3o h ALA 46 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k3o h ALA 46 Cb 0.42 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k3o h ALA 46 CO 0.01 0.67 0.12 0.00 0.00 0.00 0.00 179.25 180.05 2k3o h ARG 47 N 1.29 0.37 -0.03 0.00 2.47 -0.68 -0.66 114.38 117.14 2k3o h ARG 47 Ca 0.33 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2k3o h ARG 47 Cb -0.01 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2k3o h ARG 47 CO -0.06 0.38 -0.04 0.77 0.56 0.00 0.00 179.97 181.58 2k3o h SER 48 N 0.28 0.03 -0.41 7.04 0.02 -0.96 -2.31 113.55 117.25 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 0.13 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k3o h SER 48 CO -0.01 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 2k3o n LEU 49 N -4.47 2.93 -3.02 5.07 4.77 -0.53 -4.98 117.00 116.78 2k3o n LEU 49 Ca -0.02 -1.33 -0.21 0.00 -0.03 0.00 0.00 56.01 54.41 2k3o n LEU 49 Cb 0.14 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2k3o n LEU 49 CO 0.35 0.67 -0.06 0.61 -1.33 0.00 0.00 177.39 177.63 2k3o n GLY 50 N 1.39 -0.50 3.76 -0.72 0.00 -0.41 -4.94 105.19 103.78 2k3o n GLY 50 Ca 0.19 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.98 2.00 -1.45 -0.61 -1.09 -0.39 -4.92 121.20 111.76 2k3o s ILE 51 Ca 0.27 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 2k3o s ILE 51 Cb -0.13 -3.00 0.12 0.00 -1.58 0.00 0.00 42.46 37.87 2k3o s ILE 51 CO 0.33 0.00 0.90 0.00 -1.23 0.00 0.00 174.94 174.95 2k3o n ALA 52 N 1.60 2.60 -2.68 9.38 0.00 -1.26 -4.06 120.51 126.09 2k3o n ALA 52 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 2k3o n ALA 52 Cb 0.38 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 18.92 2k3o n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k3o n SER 53 N -0.02 -1.59 -0.24 0.00 2.88 -1.26 -5.04 113.62 108.35 2k3o n SER 53 Ca 0.04 -2.44 0.16 0.00 -1.33 0.00 0.00 58.87 55.31 2k3o n SER 53 Cb 0.25 1.38 0.47 0.00 -0.75 0.00 0.00 64.21 65.56 2k3o n SER 53 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2k3o h ASP 54 N 2.34 0.49 -0.61 -3.46 3.32 -1.94 -0.89 116.42 115.67 2k3o h ASP 54 Ca -0.27 0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.89 2k3o h ASP 54 Cb 1.19 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 2k3o h ASP 54 CO 0.02 0.22 0.30 0.00 -1.72 0.00 0.00 179.24 178.05 2k3o h THR 55 N 0.50 0.89 -0.12 0.35 1.03 -1.96 0.83 112.91 114.43 2k3o h THR 55 Ca 0.46 -0.19 -0.22 0.00 -0.01 0.00 0.00 66.41 66.45 2k3o h THR 55 Cb 1.00 0.30 0.01 0.00 -1.07 0.00 0.00 68.15 68.39 2k3o h THR 55 CO -0.19 0.10 -0.78 0.00 -0.01 0.00 0.00 175.52 174.64 2k3o h ALA 56 N 1.36 0.26 -0.21 0.00 0.00 -1.61 -1.88 119.26 117.17 2k3o h ALA 56 Ca 0.29 -0.60 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2k3o h ALA 56 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k3o h ALA 56 CO -0.22 0.64 -0.44 1.25 0.00 0.00 0.00 179.25 180.48 2k3o h LEU 57 N 0.46 0.76 -0.92 0.00 6.46 -1.28 -0.58 115.31 120.20 2k3o h LEU 57 Ca -0.06 -0.55 0.12 0.00 -0.12 0.00 0.00 57.88 57.27 2k3o h LEU 57 Cb 1.42 -0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 41.05 2k3o h LEU 57 CO 0.16 1.16 0.55 0.00 -0.62 0.00 0.00 178.44 179.69 2k3o h ALA 58 N 0.61 1.38 -0.31 1.25 0.00 -0.91 -1.17 119.26 120.12 2k3o h ALA 58 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2k3o h ALA 58 Cb 1.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2k3o h ALA 58 CO 0.10 0.10 -0.02 0.78 0.00 0.00 0.00 179.25 180.21 2k3o h GLY 59 N 0.84 0.51 0.92 0.00 0.00 -1.06 -2.19 103.07 102.10 2k3o h GLY 59 Ca 0.47 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 2k3o h GLY 59 CO -0.29 0.28 0.11 0.00 0.00 0.00 0.00 176.54 176.65 2k3o h ALA 60 N 1.53 0.45 -0.33 3.60 0.00 0.15 0.53 119.26 125.19 2k3o h ALA 60 Ca 0.10 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2k3o h ALA 60 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k3o h ALA 60 CO 0.01 0.07 -0.36 -0.07 0.00 0.00 0.00 179.25 178.91 2k3o h LEU 61 N 0.40 0.80 -0.64 0.00 -0.00 -1.40 -1.38 115.31 113.09 2k3o h LEU 61 Ca 0.11 -0.34 -0.01 0.00 -0.00 0.00 0.00 57.88 57.63 2k3o h LEU 61 Cb 0.23 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 2k3o h LEU 61 CO -0.01 1.07 0.35 0.00 -0.00 0.00 0.00 178.44 179.86 2k3o h ALA 62 N 0.97 0.82 -0.51 1.53 0.00 -1.28 -1.06 119.26 119.72 2k3o h ALA 62 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2k3o h ALA 62 Cb 0.90 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k3o h ALA 62 CO 0.08 0.33 0.07 1.96 0.00 0.00 0.00 179.25 181.70 2k3o h GLN 63 N 0.87 0.81 0.17 0.00 1.08 -0.76 0.27 115.11 117.56 2k3o h GLN 63 Ca 0.22 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2k3o h GLN 63 Cb 0.04 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2k3o h GLN 63 CO -0.04 0.77 -0.08 0.00 -0.95 0.00 0.00 178.83 178.53 2k3o h ALA 64 N 1.31 -0.23 -0.18 3.87 0.00 -0.98 -0.97 119.26 122.07 2k3o h ALA 64 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k3o h ALA 64 Cb 0.36 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k3o h ALA 64 CO 0.01 -0.47 0.08 0.28 0.00 0.00 0.00 179.25 179.15 2k3o h VAL 65 N -0.56 0.98 0.00 0.00 2.07 -1.22 -1.47 116.25 116.06 2k3o h VAL 65 Ca -0.02 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k3o h VAL 65 Cb 0.42 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2k3o h VAL 65 CO 0.04 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.27 2k3o n GLY 66 N -1.15 -0.72 0.13 2.17 0.00 0.08 -2.01 105.19 103.69 2k3o n GLY 66 Ca -0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2k3o n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3o n GLY 67 N -0.15 -0.55 0.07 -0.02 0.00 -0.37 -4.46 105.19 99.71 2k3o n GLY 67 Ca 0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2k3o n GLY 67 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k3o h VAL 68 N -0.21 1.48 0.00 1.61 2.07 -1.37 -3.51 116.25 116.31 2k3o h VAL 68 Ca -0.48 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2k3o h VAL 68 Cb 1.85 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 2k3o h VAL 68 CO -0.05 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.53 2k3o n GLY 69 N 0.55 1.64 3.83 2.17 0.00 -0.85 -4.97 105.19 107.56 2k3o n GLY 69 Ca -0.09 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.30 2.86 0.00 4.61 0.00 -1.26 -3.71 121.76 121.96 2k3o s ALA 70 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2k3o s ALA 70 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2k3o s ALA 70 CO 0.00 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2k3o n GLY 71 N -1.86 0.86 3.70 0.00 0.00 -1.26 -4.99 105.19 101.64 2k3o n GLY 71 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2k3o n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3o s ALA 72 N -2.80 1.42 0.55 4.61 0.00 -1.24 -5.03 121.76 119.27 2k3o s ALA 72 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.79 2k3o s ALA 72 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2k3o s ALA 72 CO 0.00 -2.48 1.20 0.45 0.00 0.00 0.00 175.76 174.93 2k3o s SER 73 N -3.25 5.51 0.53 0.00 0.15 -1.26 -4.92 113.70 110.46 2k3o s SER 73 Ca 0.64 2.37 0.20 0.00 0.70 0.00 0.00 55.95 59.86 2k3o s SER 73 Cb -0.19 -2.60 1.40 0.00 -1.71 0.00 0.00 66.02 62.92 2k3o s SER 73 CO 0.58 -1.37 2.16 0.00 1.20 0.00 0.00 173.24 175.80 2k3o h ALA 74 N 1.25 1.80 -0.40 5.45 0.00 -1.96 -1.62 119.26 123.78 2k3o h ALA 74 Ca -0.50 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2k3o h ALA 74 Cb 1.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2k3o h ALA 74 CO 0.57 0.04 -0.10 0.77 0.00 0.00 0.00 179.25 180.52 2k3o h SER 75 N 0.00 0.68 -0.34 0.00 0.02 -1.95 0.15 113.55 112.11 2k3o h SER 75 Ca -0.00 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 2k3o h SER 75 Cb 0.06 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2k3o h SER 75 CO 0.00 0.82 -0.18 0.00 -1.14 0.00 0.00 176.83 176.34 2k3o h ALA 76 N 1.25 0.48 -0.20 3.77 0.00 -1.69 0.00 119.26 122.87 2k3o h ALA 76 Ca 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2k3o h ALA 76 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k3o h ALA 76 CO 0.03 0.41 0.08 1.88 0.00 0.00 0.00 179.25 181.65 2k3o h TYR 77 N 0.50 0.32 -0.36 0.00 0.05 -1.31 0.29 116.97 116.45 2k3o h TYR 77 Ca 0.07 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.86 2k3o h TYR 77 Cb 0.72 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 2k3o h TYR 77 CO 0.06 0.37 0.18 0.00 -1.05 0.00 0.00 178.16 177.71 2k3o h ALA 78 N 0.91 0.44 -0.28 3.88 0.00 -0.68 0.50 119.26 124.04 2k3o h ALA 78 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k3o h ALA 78 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k3o h ALA 78 CO -0.00 -0.19 0.12 -0.91 0.00 0.00 0.00 179.25 178.27 2k3o h ASN 79 N 0.36 0.37 -0.02 0.00 2.35 -0.97 0.76 115.58 118.43 2k3o h ASN 79 Ca 0.15 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2k3o h ASN 79 Cb 0.07 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2k3o h ASN 79 CO -0.11 0.41 -0.06 0.00 -1.65 0.00 0.00 177.43 176.02 2k3o h ALA 80 N 0.98 -0.04 -0.26 -0.83 0.00 -0.53 0.28 119.26 118.86 2k3o h ALA 80 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k3o h ALA 80 Cb 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k3o h ALA 80 CO -0.01 -0.55 0.03 0.82 0.00 0.00 0.00 179.25 179.54 2k3o h ILE 81 N -0.09 1.24 0.00 0.00 2.04 -0.91 0.63 117.51 120.41 2k3o h ILE 81 Ca 0.03 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 2k3o h ILE 81 Cb 0.14 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2k3o h ILE 81 CO -0.08 0.26 -0.26 0.00 0.00 0.00 0.00 178.15 178.07 2k3o h ALA 82 N 0.85 1.28 0.01 1.87 0.00 -0.69 0.20 119.26 122.77 2k3o h ALA 82 Ca 0.08 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 2k3o h ALA 82 Cb 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k3o h ALA 82 CO 0.01 0.32 -1.04 0.00 0.00 0.00 0.00 179.25 178.54 2k3o h ARG 83 N 0.00 0.63 0.02 0.00 3.08 -0.26 0.75 114.38 118.61 2k3o h ARG 83 Ca -0.00 -0.69 -0.00 0.00 0.07 0.00 0.00 59.98 59.35 2k3o h ARG 83 Cb 0.56 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2k3o h ARG 83 CO 0.03 1.28 -0.01 0.00 -1.07 0.00 0.00 179.97 180.21 2k3o h ALA 84 N 0.47 -0.03 -0.64 0.04 0.00 -0.43 0.16 119.26 118.83 2k3o h ALA 84 Ca -0.12 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k3o h ALA 84 Cb 1.69 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2k3o h ALA 84 CO 0.20 -0.25 0.41 0.00 0.00 0.00 0.00 179.25 179.61 2k3o h ALA 85 N 0.39 0.83 -0.35 0.00 0.00 -0.77 0.10 119.26 119.45 2k3o h ALA 85 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k3o h ALA 85 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k3o h ALA 85 CO 0.00 0.18 0.01 0.78 0.00 0.00 0.00 179.25 180.23 2k3o h GLY 86 N 0.81 0.65 1.05 0.00 0.00 -0.86 0.51 103.07 105.24 2k3o h GLY 86 Ca 0.25 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2k3o h GLY 86 CO -0.08 0.44 0.40 1.46 0.00 0.00 0.00 176.54 178.75 2k3o h GLN 87 N 0.42 1.22 0.07 4.80 4.20 -0.60 0.71 115.11 125.94 2k3o h GLN 87 Ca 0.10 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2k3o h GLN 87 Cb 0.44 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2k3o h GLN 87 CO 0.02 0.94 -0.04 0.35 -0.67 0.00 0.00 178.83 179.43 2k3o h PHE 88 N 1.21 -0.09 0.00 2.96 3.04 -0.72 -0.55 116.94 122.78 2k3o h PHE 88 Ca 0.29 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.17 2k3o h PHE 88 Cb 0.13 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 2k3o h PHE 88 CO 0.02 0.13 -0.34 -0.07 -2.02 0.00 0.00 178.31 176.02 2k3o h LEU 89 N -0.30 0.00 -0.14 0.59 3.38 -0.86 -0.62 115.31 117.36 2k3o h LEU 89 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k3o h LEU 89 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2k3o h LEU 89 CO 0.02 0.34 0.05 0.00 0.09 0.00 0.00 178.44 178.94 2k3o h ALA 90 N 1.66 0.18 0.00 1.53 0.00 -0.72 -1.05 119.26 120.86 2k3o h ALA 90 Ca -0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2k3o h ALA 90 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k3o h ALA 90 CO 0.04 -0.23 -0.44 1.79 0.00 0.00 0.00 179.25 180.42 2k3o h THR 91 N 0.06 1.23 0.00 0.00 1.35 -0.78 -1.88 112.91 112.89 2k3o h THR 91 Ca 0.05 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 2k3o h THR 91 Cb 0.18 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2k3o h THR 91 CO -0.00 0.43 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 2k3o n GLN 92 N -3.89 0.11 -1.35 4.72 1.13 -0.27 -4.91 117.38 112.92 2k3o n GLN 92 Ca -0.01 0.16 -0.12 0.00 -1.94 0.00 0.00 57.00 55.08 2k3o n GLN 92 Cb 0.48 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.28 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 0.31 1.23 0.21 1.08 0.00 -0.71 -4.88 105.19 102.43 2k3o n GLY 93 Ca 0.06 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.98 -3.25 1.61 2.07 -1.45 -3.43 116.25 112.78 2k3o h VAL 94 Ca -0.25 -1.13 -0.58 0.00 0.82 0.00 0.00 66.70 65.56 2k3o h VAL 94 Cb 1.03 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.39 2k3o h VAL 94 CO 0.36 0.30 -0.15 -0.76 0.02 0.00 0.00 177.57 177.34 2k3o s LEU 95 N -7.66 4.34 0.03 2.57 1.43 -1.12 -4.96 118.68 113.30 2k3o s LEU 95 Ca -0.02 0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 2k3o s LEU 95 Cb 0.13 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2k3o s LEU 95 CO 0.68 0.10 0.03 0.20 0.23 0.00 0.00 176.35 177.59 2k3o s ASN 96 N 0.09 0.23 0.27 2.29 0.01 -1.26 -3.43 114.94 113.13 2k3o s ASN 96 Ca 0.25 -0.55 0.17 0.00 -0.71 0.00 0.00 52.86 52.02 2k3o s ASN 96 Cb -0.16 0.17 0.92 0.00 0.41 0.00 0.00 41.25 42.59 2k3o s ASN 96 CO 0.11 -0.42 1.49 0.00 -1.51 0.00 0.00 177.10 176.77 2k3o n ALA 97 N 1.08 0.96 -0.14 0.60 0.00 -1.26 -0.81 120.51 120.94 2k3o n ALA 97 Ca -0.21 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2k3o n ALA 97 Cb 0.57 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 0.31 0.00 0.00 2.07 -2.00 -3.42 116.25 113.21 2k3o h VAL 98 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2k3o h VAL 98 Cb 0.11 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 2k3o h VAL 98 CO 0.00 0.00 -0.11 -0.46 0.02 0.00 0.00 177.57 177.02 2k3o n ASN 99 N -5.41 -0.37 -0.28 0.57 2.04 -1.02 -5.01 115.26 105.78 2k3o n ASN 99 Ca 0.03 -0.73 0.21 0.00 -0.44 0.00 0.00 54.58 53.64 2k3o n ASN 99 Cb 0.32 0.11 0.52 0.00 -2.53 0.00 0.00 39.78 38.20 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 2.25 0.30 -2.53 0.00 -1.23 0.01 119.26 118.06 2k3o h ALA 100 Ca -0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k3o h ALA 100 Cb 0.83 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k3o h ALA 100 CO -0.11 -0.59 -0.31 1.03 0.00 0.00 0.00 179.25 179.28 2k3o h SER 101 N 0.39 -0.85 -0.18 0.00 0.87 -1.84 -2.62 113.55 109.32 2k3o h SER 101 Ca 0.52 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 61.15 2k3o h SER 101 Cb 1.35 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 2k3o h SER 101 CO -0.22 -0.41 0.11 0.28 -0.53 0.00 0.00 176.83 176.07 2k3o h SER 102 N -0.61 0.23 0.21 6.23 0.02 -1.66 -0.67 113.55 117.31 2k3o h SER 102 Ca -0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2k3o h SER 102 Cb 0.53 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2k3o h SER 102 CO -0.04 0.18 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.68 2k3o h LEU 103 N 0.27 0.00 -0.64 5.07 3.38 -0.97 -2.13 115.31 120.28 2k3o h LEU 103 Ca 0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2k3o h LEU 103 Cb -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2k3o h LEU 103 CO -0.01 0.08 0.38 1.23 0.09 0.00 0.00 178.44 180.22 2k3o h GLY 104 N 0.51 0.93 1.39 0.83 0.00 -0.72 -2.23 103.07 103.78 2k3o h GLY 104 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2k3o h GLY 104 CO 0.01 0.22 0.20 1.76 0.00 0.00 0.00 176.54 178.73 2k3o h SER 105 N 0.74 0.71 -0.71 0.19 0.02 -1.46 -1.36 113.55 111.68 2k3o h SER 105 Ca 0.27 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2k3o h SER 105 Cb 0.07 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2k3o h SER 105 CO -0.13 0.66 0.35 0.00 -1.14 0.00 0.00 176.83 176.57 2k3o h ALA 106 N 1.45 0.91 -0.19 3.77 0.00 -1.21 0.07 119.26 124.07 2k3o h ALA 106 Ca 0.18 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2k3o h ALA 106 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k3o h ALA 106 CO -0.01 0.47 -0.51 1.25 0.00 0.00 0.00 179.25 180.44 2k3o h LEU 107 N 0.99 0.58 -0.99 0.00 6.46 -1.25 -1.89 115.31 119.19 2k3o h LEU 107 Ca 0.24 -0.30 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 2k3o h LEU 107 Cb 0.10 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2k3o h LEU 107 CO -0.03 0.99 -0.01 0.00 -0.62 0.00 0.00 178.44 178.76 2k3o h ALA 108 N 1.03 1.17 -0.47 1.25 0.00 -0.97 -0.22 119.26 121.05 2k3o h ALA 108 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2k3o h ALA 108 Cb 1.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2k3o h ALA 108 CO 0.10 0.54 0.03 -0.91 0.00 0.00 0.00 179.25 179.01 2k3o h ASN 109 N 0.67 0.70 0.28 0.00 2.35 -0.91 0.51 115.58 119.18 2k3o h ASN 109 Ca 0.13 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2k3o h ASN 109 Cb 0.43 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2k3o h ASN 109 CO 0.02 0.75 -0.14 0.00 -1.65 0.00 0.00 177.43 176.41 2k3o h ALA 110 N 1.33 -0.38 -0.61 -0.83 0.00 -0.65 -0.93 119.26 117.19 2k3o h ALA 110 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k3o h ALA 110 Cb 0.38 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2k3o h ALA 110 CO 0.01 -0.69 0.40 -0.07 0.00 0.00 0.00 179.25 178.90 2k3o h LEU 111 N -0.42 0.63 -0.06 0.00 3.38 -0.94 -0.10 115.31 117.80 2k3o h LEU 111 Ca -0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2k3o h LEU 111 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2k3o h LEU 111 CO 0.06 0.44 0.01 -1.28 0.09 0.00 0.00 178.44 177.77 2k3o h SER 112 N 0.74 -0.00 -0.80 -0.43 0.87 -0.66 0.55 113.55 113.82 2k3o h SER 112 Ca 0.24 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2k3o h SER 112 Cb 0.04 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 2k3o h SER 112 CO -0.06 0.01 0.53 0.44 -0.53 0.00 0.00 176.83 177.21 2k3o h ASP 113 N 0.04 0.91 -0.48 6.23 3.32 -0.70 -1.01 116.42 124.73 2k3o h ASP 113 Ca 0.03 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 2k3o h ASP 113 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2k3o h ASP 113 CO -0.04 0.66 0.04 0.28 -1.72 0.00 0.00 179.24 178.46 2k3o h SER 114 N 1.08 0.79 0.38 6.45 0.02 -0.68 0.98 113.55 122.58 2k3o h SER 114 Ca 0.29 -0.29 -0.21 0.00 -0.84 0.00 0.00 61.79 60.75 2k3o h SER 114 Cb -0.12 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 2k3o h SER 114 CO -0.06 0.88 -0.86 0.00 -1.14 0.00 0.00 176.83 175.64 2k3o h ALA 115 N 0.94 0.47 -0.62 3.77 0.00 -0.86 -1.86 119.26 121.10 2k3o h ALA 115 Ca 0.14 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 2k3o h ALA 115 Cb 0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2k3o h ALA 115 CO 0.02 0.83 0.17 0.00 0.00 0.00 0.00 179.25 180.27 2k3o h ALA 116 N 0.86 1.14 0.00 0.00 0.00 -1.13 -2.55 119.26 117.57 2k3o h ALA 116 Ca -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k3o h ALA 116 Cb 1.48 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k3o h ALA 116 CO 0.14 0.59 -0.15 -0.97 0.00 0.00 0.00 179.25 178.87 2k3o h ASN 117 N 0.92 0.00 -0.52 0.00 -1.24 -0.65 -2.77 115.58 111.31 2k3o h ASN 117 Ca 0.20 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.32 2k3o h ASN 117 Cb 0.30 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 2k3o h ASN 117 CO -0.00 0.15 0.36 0.28 -1.29 0.00 0.00 177.43 176.92 2k3o h SER 118 N 0.00 0.21 0.25 1.15 0.02 -0.89 -0.29 113.55 113.99 2k3o h SER 118 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3o h SER 118 Cb 0.32 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k3o h SER 118 CO 0.02 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 2k3o n ALA 119 N -2.56 1.29 -0.19 3.77 0.00 -1.04 -2.48 120.51 119.29 2k3o n ALA 119 Ca 0.09 0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 2k3o n ALA 119 Cb 0.43 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 1.18 0.00 0.00 2.07 -1.22 -2.45 116.25 115.83 2k3o h VAL 120 Ca 0.00 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2k3o h VAL 120 Cb 0.13 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2k3o h VAL 120 CO 0.00 0.19 -0.16 0.28 0.02 0.00 0.00 177.57 177.89 2k3o h SER 121 N 0.74 0.00 -6.78 0.57 0.02 -1.66 -3.47 113.55 102.97 2k3o h SER 121 Ca 0.20 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.59 2k3o h SER 121 Cb 0.02 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.36 2k3o h SER 121 CO -0.03 0.16 -0.86 0.61 -1.14 0.00 0.00 176.83 175.57 2k3o n GLY 122 N -0.46 -0.38 0.53 -3.77 0.00 -0.92 -4.72 105.19 95.47 2k3o n GLY 122 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.71 0.00 -0.03 1.61 3.02 -1.26 -4.62 115.26 111.28 2k3o n ASN 123 Ca -0.01 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.76 2k3o n ASN 123 Cb 0.53 0.04 0.71 0.00 -0.61 0.00 0.00 39.78 40.45 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 0.00 -0.03 3.10 -0.00 -1.84 -1.60 116.97 116.60 2k3o h TYR 124 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2k3o h TYR 124 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2k3o h TYR 124 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 178.16 179.63 2k3o n LEU 125 N -4.28 0.65 -3.32 0.10 -0.00 -1.26 -4.87 117.00 104.01 2k3o n LEU 125 Ca 0.11 -0.32 -0.16 0.00 -0.00 0.00 0.00 56.01 55.64 2k3o n LEU 125 Cb 0.68 -0.24 0.08 0.00 -0.00 0.00 0.00 43.42 43.95 2k3o n LEU 125 CO 0.36 0.14 0.08 0.61 -0.00 0.00 0.00 177.39 178.59 2k3o n GLY 126 N 0.33 -0.60 3.36 1.47 0.00 -0.60 -4.82 105.19 104.33 2k3o n GLY 126 Ca 0.01 0.25 -0.54 0.00 0.00 0.00 0.00 46.02 45.74 2k3o n GLY 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k3o n VAL 127 N -3.78 0.08 -3.73 1.61 3.14 -1.22 -4.92 118.33 109.51 2k3o n VAL 127 Ca -0.21 -0.14 -0.14 0.00 -2.96 0.00 0.00 64.34 60.89 2k3o n VAL 127 Cb 0.65 -1.09 -0.08 0.00 -1.06 0.00 0.00 33.84 32.26 2k3o n VAL 127 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2k3o s SER 128 N 6.96 -0.24 -0.06 6.55 0.01 -1.26 -5.05 113.70 120.61 2k3o s SER 128 Ca 1.16 0.16 -0.30 0.00 1.31 0.00 0.00 55.95 58.28 2k3o s SER 128 Cb -1.15 0.34 -0.06 0.00 0.21 0.00 0.00 66.02 65.36 2k3o s SER 128 CO 0.56 -0.47 1.72 0.00 0.41 0.00 0.00 173.24 175.47 2k3o s GLN 129 N -1.31 4.10 0.00 12.44 -2.07 -1.26 -5.25 119.66 126.30 2k3o s GLN 129 Ca -0.13 2.20 0.07 0.00 -1.82 0.00 0.00 55.36 55.68 2k3o s GLN 129 Cb -0.05 -4.03 0.05 0.00 -1.09 0.00 0.00 33.01 27.89 2k3o s GLN 129 CO 0.05 -0.96 0.72 0.09 -1.32 0.00 0.00 175.29 173.87