#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2p n THR 61 N 0.00 0.00 -2.73 4.28 -1.04 -1.26 -5.13 114.28 108.40 2w2p n THR 61 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 2w2p n THR 61 Cb 0.00 -0.15 -0.06 0.00 -1.82 0.00 0.00 70.33 68.31 2w2p n THR 61 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2w2p s ALA 62 N -2.00 3.33 0.19 2.41 0.00 -1.26 -4.97 121.76 119.46 2w2p s ALA 62 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.68 2w2p s ALA 62 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2w2p s ALA 62 CO 0.00 0.15 -0.11 0.95 0.00 0.00 0.00 175.76 176.75 2w2p s THR 63 N -0.98 3.06 -0.11 0.00 -4.23 -1.24 -4.97 115.64 107.17 2w2p s THR 63 Ca 0.42 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.06 2w2p s THR 63 Cb -0.26 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 2w2p s THR 63 CO 0.32 -0.15 0.21 0.12 -0.54 0.00 0.00 174.62 174.58 2w2p s PHE 64 N -1.80 3.58 -0.03 3.99 5.36 -1.26 -1.23 117.98 126.59 2w2p s PHE 64 Ca 0.25 0.60 0.03 0.00 -0.96 0.00 0.00 56.93 56.85 2w2p s PHE 64 Cb -0.08 -2.09 -0.00 0.00 -0.34 0.00 0.00 43.02 40.51 2w2p s PHE 64 CO 0.15 0.59 -0.13 -1.01 -1.46 0.00 0.00 175.22 173.36 2w2p s HIS 65 N -0.65 1.30 0.05 10.12 3.76 0.11 -4.96 115.29 125.03 2w2p s HIS 65 Ca 0.16 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2w2p s HIS 65 Cb -0.13 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 2w2p s HIS 65 CO 0.05 -0.12 -0.04 -0.98 -0.85 0.00 0.00 174.74 172.80 2w2p s ARG 66 N 0.09 0.60 0.25 1.40 1.70 -1.26 -0.24 118.95 121.50 2w2p s ARG 66 Ca -0.03 -1.16 -0.31 0.00 -0.47 0.00 0.00 55.73 53.76 2w2p s ARG 66 Cb -0.10 0.13 -0.12 0.00 -0.57 0.00 0.00 34.95 34.29 2w2p s ARG 66 CO 0.01 -0.09 1.58 0.00 -1.08 0.00 0.00 175.30 175.72 2w2p h ALA 68 N 5.14 1.00 -2.75 0.00 0.00 -2.00 -3.41 119.26 117.24 2w2p h ALA 68 Ca -0.46 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.74 2w2p h ALA 68 Cb 1.23 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.77 2w2p h ALA 68 CO 0.82 0.00 -0.49 0.21 0.00 0.00 0.00 179.25 179.80 2w2p s LYS 69 N -3.46 2.78 0.22 0.00 2.20 -1.26 -5.01 119.74 115.20 2w2p s LYS 69 Ca 0.03 -1.20 -0.17 0.00 -0.36 0.00 0.00 55.97 54.27 2w2p s LYS 69 Cb 0.09 -3.78 0.22 0.00 -1.51 0.00 0.00 37.83 32.85 2w2p s LYS 69 CO 0.50 -0.80 1.58 0.22 -0.36 0.00 0.00 175.35 176.49 2w2p h ASP 70 N 8.46 -1.09 0.26 1.43 3.58 -1.99 -0.27 116.42 126.80 2w2p h ASP 70 Ca -0.25 0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2w2p h ASP 70 Cb 1.10 0.59 0.00 0.00 1.72 0.00 0.00 39.33 42.74 2w2p h ASP 70 CO 0.71 -0.29 0.00 -0.65 -2.88 0.00 0.00 179.24 176.13 2w2p h PRO 71 N -0.07 0.00 -0.01 0.28 0.11 -1.96 -2.72 132.00 127.63 2w2p h PRO 71 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2w2p h PRO 71 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2w2p h PRO 71 CO -0.80 0.00 -0.49 0.91 -0.21 0.00 0.00 178.00 177.41 2w2p n TRP 72 N -2.69 0.00 -2.18 0.65 8.01 -0.12 -4.93 117.44 116.18 2w2p n TRP 72 Ca -0.01 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.79 2w2p n TRP 72 Cb 0.12 -0.10 -0.02 0.00 -2.01 0.00 0.00 31.31 29.30 2w2p n TRP 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2w2p s ARG 73 N -2.70 4.11 -0.62 -0.99 0.52 -1.03 -0.35 118.95 117.90 2w2p s ARG 73 Ca 0.17 2.02 0.05 0.00 -0.52 0.00 0.00 55.73 57.45 2w2p s ARG 73 Cb 0.18 -2.81 0.16 0.00 0.52 0.00 0.00 34.95 33.00 2w2p s ARG 73 CO 0.63 -0.33 0.43 -0.51 0.02 0.00 0.00 175.30 175.55 2w2p s LEU 74 N -2.27 4.03 0.61 2.53 1.43 -0.35 -4.84 118.68 119.81 2w2p s LEU 74 Ca 0.55 -3.58 -0.18 0.00 -1.03 0.00 0.00 54.13 49.89 2w2p s LEU 74 Cb -0.35 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2w2p s LEU 74 CO 0.45 -0.12 1.22 -2.84 0.23 0.00 0.00 176.35 175.29 2w2p s PRO 75 N -0.99 2.83 0.00 1.29 0.02 -1.26 -3.47 135.00 133.43 2w2p s PRO 75 Ca 0.25 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2w2p s PRO 75 Cb -0.06 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2w2p s PRO 75 CO -0.15 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 175.61 2w2p n GLY 76 N 0.53 0.85 3.14 0.52 0.00 -1.26 -5.03 105.19 103.94 2w2p n GLY 76 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2w2p n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w2p s THR 77 N -2.49 1.61 0.01 2.61 2.01 -1.23 -1.34 115.64 116.83 2w2p s THR 77 Ca 0.00 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.25 2w2p s THR 77 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 2w2p s THR 77 CO 0.00 0.46 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.00 2w2p s TYR 78 N 0.36 0.68 -0.30 4.92 2.02 0.76 -0.89 117.35 124.90 2w2p s TYR 78 Ca -0.13 -0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.20 2w2p s TYR 78 Cb -0.16 -0.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.95 2w2p s TYR 78 CO 0.05 -0.02 0.31 0.08 -1.57 0.00 0.00 175.55 174.40 2w2p s VAL 79 N -0.51 5.22 -0.44 0.71 1.01 0.45 -0.96 120.40 125.89 2w2p s VAL 79 Ca -0.00 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2w2p s VAL 79 Cb -0.05 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2w2p s VAL 79 CO 0.00 0.11 0.36 -0.69 0.00 0.00 0.00 175.10 174.88 2w2p s VAL 80 N 1.95 5.22 -0.27 2.92 1.01 -0.29 -1.15 120.40 129.80 2w2p s VAL 80 Ca 0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 2w2p s VAL 80 Cb -0.16 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2w2p s VAL 80 CO 0.11 -0.43 0.21 -0.69 0.00 0.00 0.00 175.10 174.30 2w2p s VAL 81 N 1.75 5.30 0.38 2.92 1.01 -0.20 -2.08 120.40 129.48 2w2p s VAL 81 Ca 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2w2p s VAL 81 Cb -0.21 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2w2p s VAL 81 CO 0.09 0.25 0.61 -0.76 0.00 0.00 0.00 175.10 175.30 2w2p s LEU 82 N 1.68 3.92 0.63 3.92 1.43 -0.47 -0.02 118.68 129.77 2w2p s LEU 82 Ca 0.08 0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 2w2p s LEU 82 Cb -0.16 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2w2p s LEU 82 CO 0.10 -0.36 1.23 0.29 0.23 0.00 0.00 176.35 177.84 2w2p n LYS 83 N -1.83 1.11 -0.32 1.70 5.02 0.14 -4.58 118.16 119.40 2w2p n LYS 83 Ca -0.03 0.43 -0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2w2p n LYS 83 Cb 0.56 -2.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.14 2w2p n LYS 83 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2w2p n GLU 84 N -1.66 -0.19 -0.78 1.97 2.13 -1.26 -1.95 120.64 118.90 2w2p n GLU 84 Ca 0.15 1.29 -0.01 0.00 0.66 0.00 0.00 57.16 59.25 2w2p n GLU 84 Cb 0.48 -1.91 0.27 0.00 0.27 0.00 0.00 31.44 30.55 2w2p n GLU 84 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2w2p n GLU 85 N -5.24 3.54 -2.34 5.31 1.02 -1.26 -4.73 120.64 116.93 2w2p n GLU 85 Ca 0.09 -2.45 -0.43 0.00 -0.02 0.00 0.00 57.16 54.35 2w2p n GLU 85 Cb 0.34 -2.06 -0.02 0.00 -0.02 0.00 0.00 31.44 29.68 2w2p n GLU 85 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2w2p s THR 86 N -2.44 4.07 0.74 2.62 2.01 -0.82 -5.01 115.64 116.81 2w2p s THR 86 Ca 0.43 1.24 -0.14 0.00 0.31 0.00 0.00 61.69 63.54 2w2p s THR 86 Cb 0.34 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.92 2w2p s THR 86 CO 0.11 -0.30 1.17 -2.28 -0.69 0.00 0.00 174.62 172.63 2w2p s HIS 87 N 4.21 2.15 0.26 4.92 2.46 -1.26 -4.77 115.29 123.25 2w2p s HIS 87 Ca 0.60 1.61 -0.03 0.00 0.47 0.00 0.00 55.06 57.71 2w2p s HIS 87 Cb -0.21 -3.36 0.44 0.00 -0.13 0.00 0.00 32.58 29.32 2w2p s HIS 87 CO 0.22 -2.38 1.82 1.25 -2.47 0.00 0.00 174.74 173.17 2w2p h LEU 88 N -0.49 0.74 -1.59 8.88 5.85 -1.95 -1.99 115.31 124.76 2w2p h LEU 88 Ca -0.47 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2w2p h LEU 88 Cb 1.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2w2p h LEU 88 CO 0.50 0.41 0.02 0.77 -0.34 0.00 0.00 178.44 179.80 2w2p h SER 89 N 0.85 0.25 0.32 1.25 4.64 -2.00 -0.19 113.55 118.67 2w2p h SER 89 Ca 0.43 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.58 2w2p h SER 89 Cb 0.40 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2w2p h SER 89 CO -0.25 0.28 -0.56 1.56 -0.87 0.00 0.00 176.83 177.00 2w2p h GLN 90 N 0.27 0.25 -0.29 4.77 4.20 -1.74 -2.62 115.11 119.95 2w2p h GLN 90 Ca 0.07 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2w2p h GLN 90 Cb 0.16 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2w2p h GLN 90 CO 0.00 0.74 -0.14 1.03 -0.67 0.00 0.00 178.83 179.79 2w2p h SER 91 N 0.19 0.63 -0.58 1.46 0.87 -0.51 -2.13 113.55 113.49 2w2p h SER 91 Ca 0.00 -0.41 -0.09 0.00 -1.23 0.00 0.00 61.79 60.06 2w2p h SER 91 Cb 1.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 2w2p h SER 91 CO 0.09 0.90 0.02 -0.33 -0.53 0.00 0.00 176.83 176.98 2w2p h GLU 92 N 0.36 1.02 -0.70 2.24 5.08 -1.19 -1.17 114.58 120.22 2w2p h GLU 92 Ca 0.07 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 2w2p h GLU 92 Cb 0.66 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2w2p h GLU 92 CO 0.04 0.99 0.29 -0.09 -1.00 0.00 0.00 179.01 179.24 2w2p h ARG 93 N 0.94 1.04 -0.45 2.33 2.43 -1.47 0.13 114.38 119.34 2w2p h ARG 93 Ca 0.17 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2w2p h ARG 93 Cb 0.51 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2w2p h ARG 93 CO 0.02 0.86 0.08 1.15 -1.51 0.00 0.00 179.97 180.57 2w2p h THR 94 N 1.00 1.24 -0.61 0.20 2.02 -1.12 0.45 112.91 116.09 2w2p h THR 94 Ca 0.24 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2w2p h THR 94 Cb 0.20 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2w2p h THR 94 CO -0.02 0.31 0.13 0.00 0.37 0.00 0.00 175.52 176.31 2w2p h ALA 95 N 0.95 0.80 0.00 6.16 0.00 -1.05 -0.67 119.26 125.46 2w2p h ALA 95 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2w2p h ALA 95 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2w2p h ALA 95 CO 0.01 0.53 -0.28 0.00 0.00 0.00 0.00 179.25 179.51 2w2p h ARG 96 N 0.89 0.00 -0.17 0.00 3.08 -0.50 -1.64 114.38 116.04 2w2p h ARG 96 Ca 0.19 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.07 2w2p h ARG 96 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.43 2w2p h ARG 96 CO 0.01 0.28 -0.57 -0.09 -1.07 0.00 0.00 179.97 178.53 2w2p h ARG 97 N 0.00 0.69 -0.13 0.04 2.43 -0.55 -1.86 114.38 115.00 2w2p h ARG 97 Ca -0.00 -0.51 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 2w2p h ARG 97 Cb 0.52 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2w2p h ARG 97 CO 0.04 1.13 0.01 1.25 -1.51 0.00 0.00 179.97 180.89 2w2p h LEU 98 N 0.38 -0.03 -0.94 3.80 5.85 -0.86 0.18 115.31 123.69 2w2p h LEU 98 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2w2p h LEU 98 Cb 1.19 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2w2p h LEU 98 CO 0.12 0.01 0.60 1.56 -0.34 0.00 0.00 178.44 180.39 2w2p h GLN 99 N 0.06 1.26 -0.04 1.25 4.20 -1.33 -1.80 115.11 118.70 2w2p h GLN 99 Ca 0.06 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2w2p h GLN 99 Cb 0.06 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 2w2p h GLN 99 CO -0.09 0.85 -0.05 0.00 -0.67 0.00 0.00 178.83 178.87 2w2p h ALA 100 N 1.33 0.06 -0.42 3.87 0.00 -0.98 -1.36 119.26 121.76 2w2p h ALA 100 Ca 0.34 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2w2p h ALA 100 Cb -0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2w2p h ALA 100 CO -0.07 -0.13 0.24 1.96 0.00 0.00 0.00 179.25 181.24 2w2p h GLN 101 N -0.39 0.46 -0.21 0.00 4.20 -0.62 -2.60 115.11 115.96 2w2p h GLN 101 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2w2p h GLN 101 Cb 0.59 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2w2p h GLN 101 CO 0.01 0.31 -0.00 0.00 -0.67 0.00 0.00 178.83 178.48 2w2p h ALA 102 N 1.20 0.28 -0.94 3.87 0.00 -1.38 -2.87 119.26 119.41 2w2p h ALA 102 Ca 0.17 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2w2p h ALA 102 Cb 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2w2p h ALA 102 CO -0.09 0.00 0.61 0.00 0.00 0.00 0.00 179.25 179.77 2w2p h ALA 103 N 0.79 1.51 0.00 0.00 0.00 -1.08 0.23 119.26 120.70 2w2p h ALA 103 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2w2p h ALA 103 Cb 0.41 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2w2p h ALA 103 CO 0.01 0.33 -0.14 0.00 0.00 0.00 0.00 179.25 179.45 2w2p h ARG 104 N 1.03 0.00 -0.09 0.00 3.08 -1.39 -1.98 114.38 115.04 2w2p h ARG 104 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2w2p h ARG 104 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2w2p h ARG 104 CO -0.17 0.14 0.00 0.54 -1.07 0.00 0.00 179.97 179.40 2w2p n ARG 105 N -3.29 1.83 -0.20 0.04 1.74 -0.11 -4.94 116.66 111.73 2w2p n ARG 105 Ca 0.00 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 2w2p n ARG 105 Cb 0.38 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2w2p n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w2p n GLY 106 N 1.21 0.89 3.46 -0.13 0.00 -0.74 -5.07 105.19 104.80 2w2p n GLY 106 Ca 0.18 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2w2p n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w2p s TYR 107 N -2.00 2.76 0.00 1.61 2.02 -0.19 -4.98 117.35 116.57 2w2p s TYR 107 Ca 0.00 -0.26 -0.20 0.00 -0.37 0.00 0.00 57.07 56.23 2w2p s TYR 107 Cb 0.00 -1.70 -0.06 0.00 -0.40 0.00 0.00 41.96 39.81 2w2p s TYR 107 CO 0.00 0.10 0.59 -1.17 -1.57 0.00 0.00 175.55 173.49 2w2p s LEU 108 N -0.45 4.43 0.08 -1.29 0.20 -1.26 -2.84 118.68 117.55 2w2p s LEU 108 Ca 0.06 1.17 0.06 0.00 0.69 0.00 0.00 54.13 56.11 2w2p s LEU 108 Cb -0.12 -2.91 -0.03 0.00 -0.43 0.00 0.00 46.19 42.70 2w2p s LEU 108 CO 0.02 0.13 -0.17 0.42 -0.29 0.00 0.00 176.35 176.46 2w2p s THR 109 N -0.32 1.37 -0.22 3.68 -4.23 -1.26 -4.63 115.64 110.03 2w2p s THR 109 Ca 0.31 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2w2p s THR 109 Cb -0.18 -1.27 0.05 0.00 1.34 0.00 0.00 72.50 72.44 2w2p s THR 109 CO 0.17 -0.14 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.50 2w2p s LYS 110 N -1.76 1.77 -0.59 3.99 1.02 -0.18 -4.99 119.74 119.00 2w2p s LYS 110 Ca 0.02 -0.93 -0.28 0.00 0.02 0.00 0.00 55.97 54.80 2w2p s LYS 110 Cb -0.10 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.73 2w2p s LYS 110 CO 0.03 -0.53 1.17 0.42 -0.92 0.00 0.00 175.35 175.51 2w2p s ILE 111 N 1.39 4.04 0.06 2.17 -1.09 -1.26 -0.28 121.20 126.23 2w2p s ILE 111 Ca -0.04 0.77 -0.08 0.00 -2.23 0.00 0.00 60.65 59.07 2w2p s ILE 111 Cb -0.18 -4.72 -0.30 0.00 -1.58 0.00 0.00 42.46 35.68 2w2p s ILE 111 CO -0.07 -1.36 1.11 -0.07 -1.23 0.00 0.00 174.94 173.31 2w2p h LEU 112 N 11.91 0.55 -7.19 2.97 3.38 -0.62 -3.47 115.31 122.83 2w2p h LEU 112 Ca -0.25 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.05 2w2p h LEU 112 Cb 1.06 -0.18 -0.22 0.00 0.09 0.00 0.00 40.66 41.41 2w2p h LEU 112 CO 1.18 1.45 -0.08 -2.28 0.09 0.00 0.00 178.44 178.81 2w2p s HIS 113 N -2.65 -0.58 -0.20 1.13 5.04 -1.20 -4.98 115.29 111.84 2w2p s HIS 113 Ca -0.05 1.38 -0.03 0.00 -1.54 0.00 0.00 55.06 54.81 2w2p s HIS 113 Cb 0.06 0.21 -0.01 0.00 0.04 0.00 0.00 32.58 32.88 2w2p s HIS 113 CO 0.90 -0.31 -0.05 0.08 -2.34 0.00 0.00 174.74 173.02 2w2p s VAL 114 N 0.14 3.40 -0.19 0.89 1.01 -1.26 0.58 120.40 124.97 2w2p s VAL 114 Ca -0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2w2p s VAL 114 Cb -0.04 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2w2p s VAL 114 CO 0.01 0.44 1.03 -0.36 0.00 0.00 0.00 175.10 176.22 2w2p s PHE 115 N 1.20 3.39 -0.22 5.22 0.08 0.47 -4.98 117.98 123.13 2w2p s PHE 115 Ca 0.02 1.50 -0.04 0.00 0.12 0.00 0.00 56.93 58.54 2w2p s PHE 115 Cb -0.14 -3.24 0.08 0.00 -0.57 0.00 0.00 43.02 39.14 2w2p s PHE 115 CO -0.01 -0.40 0.09 -3.38 -0.10 0.00 0.00 175.22 171.42 2w2p s HIS 116 N 2.82 0.53 0.00 0.36 -3.43 -1.26 -3.94 115.29 110.37 2w2p s HIS 116 Ca 0.45 -0.72 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 2w2p s HIS 116 Cb -0.16 -0.91 0.00 0.00 -1.43 0.00 0.00 32.58 30.08 2w2p s HIS 116 CO 0.10 -0.66 0.00 0.41 -2.00 0.00 0.00 174.74 172.59 2w2p n GLY 117 N 5.19 0.11 0.05 -1.38 0.00 -1.26 -4.99 105.19 102.90 2w2p n GLY 117 Ca -0.07 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 2w2p n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2w2p h LEU 118 N 0.00 0.00 -8.41 0.99 3.38 -2.02 -3.49 115.31 105.76 2w2p h LEU 118 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2w2p h LEU 118 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 2w2p h LEU 118 CO 0.00 0.51 -0.73 -1.48 0.09 0.00 0.00 178.44 176.83 2w2p s LEU 119 N -7.53 2.40 0.24 1.67 0.05 -1.26 -5.14 118.68 109.11 2w2p s LEU 119 Ca -0.06 -0.81 -0.21 0.00 0.05 0.00 0.00 54.13 53.09 2w2p s LEU 119 Cb 0.01 -0.25 -0.09 0.00 -2.05 0.00 0.00 46.19 43.81 2w2p s LEU 119 CO 0.10 -0.29 0.78 -2.16 -0.55 0.00 0.00 176.35 174.22 2w2p s PRO 120 N -2.79 4.34 0.00 1.48 0.04 -1.26 -4.36 135.00 132.45 2w2p s PRO 120 Ca 0.04 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2w2p s PRO 120 Cb -0.03 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2w2p s PRO 120 CO -0.01 0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.82 2w2p n GLY 121 N 0.74 0.74 3.52 0.56 0.00 -1.25 -1.37 105.19 108.12 2w2p n GLY 121 Ca -0.02 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 2w2p n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w2p s PHE 122 N -1.91 0.44 -0.26 1.61 -0.71 -0.88 -0.40 117.98 115.87 2w2p s PHE 122 Ca 0.00 -0.78 -0.06 0.00 -1.04 0.00 0.00 56.93 55.05 2w2p s PHE 122 Cb 0.00 0.09 -0.00 0.00 -1.21 0.00 0.00 43.02 41.90 2w2p s PHE 122 CO 0.00 -0.93 0.03 -1.17 -1.34 0.00 0.00 175.22 171.82 2w2p s LEU 123 N -3.02 3.47 -0.07 -1.99 2.96 0.20 -1.13 118.68 119.09 2w2p s LEU 123 Ca 0.23 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2w2p s LEU 123 Cb 0.01 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2w2p s LEU 123 CO 0.08 -0.11 -0.18 0.54 -1.32 0.00 0.00 176.35 175.36 2w2p s VAL 124 N 1.50 2.70 -0.24 1.68 0.11 -0.13 0.19 120.40 126.22 2w2p s VAL 124 Ca 0.04 -0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2w2p s VAL 124 Cb -0.16 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 2w2p s VAL 124 CO 0.01 0.57 0.04 -0.75 -3.33 0.00 0.00 175.10 171.63 2w2p s LYS 125 N -0.32 3.58 0.29 1.54 2.20 0.61 -0.17 119.74 127.47 2w2p s LYS 125 Ca 0.02 -0.52 -0.19 0.00 -0.36 0.00 0.00 55.97 54.93 2w2p s LYS 125 Cb -0.13 -3.22 0.06 0.00 -1.51 0.00 0.00 37.83 33.03 2w2p s LYS 125 CO 0.02 -0.17 0.90 0.00 -0.36 0.00 0.00 175.35 175.75 2w2p s MET 126 N 1.52 1.79 0.37 4.03 0.23 -0.45 -1.01 119.30 125.78 2w2p s MET 126 Ca 0.06 -1.14 -0.26 0.00 -1.03 0.00 0.00 55.69 53.32 2w2p s MET 126 Cb -0.15 0.50 -0.09 0.00 -1.53 0.00 0.00 34.83 33.57 2w2p s MET 126 CO 0.02 -0.84 1.14 0.45 -2.03 0.00 0.00 175.02 173.76 2w2p s SER 127 N -3.21 6.73 0.63 -1.18 0.15 -1.26 -4.39 113.70 111.16 2w2p s SER 127 Ca 0.18 2.29 0.36 0.00 0.70 0.00 0.00 55.95 59.48 2w2p s SER 127 Cb -0.04 -2.61 2.05 0.00 -1.71 0.00 0.00 66.02 63.71 2w2p s SER 127 CO 0.08 -0.53 2.26 1.23 1.20 0.00 0.00 173.24 177.48 2w2p h GLY 128 N 2.89 0.00 1.66 9.45 0.00 -1.98 -2.51 103.07 112.57 2w2p h GLY 128 Ca -0.48 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.87 2w2p h GLY 128 CO 0.63 0.00 0.14 -0.55 0.00 0.00 0.00 176.54 176.77 2w2p h ASP 129 N 0.00 0.00 -0.49 0.19 3.32 -2.05 -2.60 116.42 114.80 2w2p h ASP 129 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2w2p h ASP 129 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2w2p h ASP 129 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2w2p n LEU 130 N -3.56 3.06 -0.07 1.55 4.77 -0.95 -4.31 117.00 117.51 2w2p n LEU 130 Ca -0.01 -1.54 -0.13 0.00 -0.03 0.00 0.00 56.01 54.31 2w2p n LEU 130 Cb 0.24 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 2w2p n LEU 130 CO 0.24 0.65 0.61 -0.07 -1.33 0.00 0.00 177.39 177.49 2w2p h LEU 131 N 2.94 0.49 -0.83 2.23 3.38 -1.66 -1.27 115.31 120.59 2w2p h LEU 131 Ca 0.00 -0.46 0.17 0.00 0.09 0.00 0.00 57.88 57.68 2w2p h LEU 131 Cb 0.86 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 2w2p h LEU 131 CO 0.07 0.85 0.38 -0.33 0.09 0.00 0.00 178.44 179.50 2w2p h GLU 132 N 0.14 0.48 0.26 1.13 5.08 -1.83 -0.13 114.58 119.70 2w2p h GLU 132 Ca 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2w2p h GLU 132 Cb 0.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2w2p h GLU 132 CO 0.04 0.32 -0.12 1.25 -1.00 0.00 0.00 179.01 179.50 2w2p h LEU 133 N 0.49 -0.29 -1.07 1.33 5.85 -1.78 -3.20 115.31 116.64 2w2p h LEU 133 Ca 0.48 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2w2p h LEU 133 Cb 0.77 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2w2p h LEU 133 CO -0.43 -0.02 0.58 0.00 -0.34 0.00 0.00 178.44 178.24 2w2p h ALA 134 N 0.10 1.32 0.00 1.25 0.00 -0.73 -2.11 119.26 119.08 2w2p h ALA 134 Ca -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2w2p h ALA 134 Cb 0.42 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2w2p h ALA 134 CO 0.06 0.62 -0.00 -0.07 0.00 0.00 0.00 179.25 179.85 2w2p h LEU 135 N 1.24 0.00 -2.59 0.00 3.38 -1.08 -2.37 115.31 113.89 2w2p h LEU 135 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2w2p h LEU 135 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2w2p h LEU 135 CO -0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.75 2w2p n LYS 136 N -3.99 3.22 -3.14 1.13 5.02 -0.79 -4.59 118.16 115.01 2w2p n LYS 136 Ca -0.03 -2.31 -0.35 0.00 -2.02 0.00 0.00 58.31 53.61 2w2p n LYS 136 Cb 0.08 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.26 2w2p n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2w2p s LEU 137 N -1.58 4.26 0.47 -0.35 1.43 -0.89 -5.03 118.68 116.98 2w2p s LEU 137 Ca 0.41 1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 54.62 2w2p s LEU 137 Cb 0.27 -3.70 -0.08 0.00 0.03 0.00 0.00 46.19 42.70 2w2p s LEU 137 CO 0.20 -0.03 1.18 -0.81 0.23 0.00 0.00 176.35 177.12 2w2p n PRO 138 N 0.40 1.62 0.00 1.29 -0.04 -1.26 -2.72 135.00 134.29 2w2p n PRO 138 Ca -0.01 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 2w2p n PRO 138 Cb 0.52 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2w2p n PRO 138 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2w2p n HIS 139 N -0.62 0.00 -1.81 0.54 8.25 -1.26 -4.93 115.22 115.38 2w2p n HIS 139 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 2w2p n HIS 139 Cb 0.41 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 2w2p n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2w2p s VAL 140 N -2.13 2.73 -0.24 1.59 1.01 -1.10 0.27 120.40 122.52 2w2p s VAL 140 Ca 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2w2p s VAL 140 Cb 0.00 -3.16 -0.16 0.00 0.00 0.00 0.00 36.38 33.06 2w2p s VAL 140 CO 0.00 0.00 -0.09 -0.67 0.00 0.00 0.00 175.10 174.34 2w2p n ASP 141 N 5.51 1.93 -3.52 3.32 2.03 0.98 -4.56 116.55 122.25 2w2p n ASP 141 Ca 0.17 0.34 -0.09 0.00 0.52 0.00 0.00 54.79 55.72 2w2p n ASP 141 Cb 0.39 -0.86 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 2w2p n ASP 141 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2w2p s TYR 142 N -2.45 -0.38 -0.06 -0.67 1.13 -1.03 -3.67 117.35 110.22 2w2p s TYR 142 Ca -0.34 0.19 0.04 0.00 -1.41 0.00 0.00 57.07 55.55 2w2p s TYR 142 Cb 0.11 0.56 -0.00 0.00 -1.10 0.00 0.00 41.96 41.53 2w2p s TYR 142 CO 0.55 -0.70 -0.19 0.42 -2.51 0.00 0.00 175.55 173.12 2w2p s ILE 143 N -3.38 1.59 -0.04 -3.49 1.01 -0.36 -1.03 121.20 115.49 2w2p s ILE 143 Ca 0.05 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2w2p s ILE 143 Cb -0.01 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2w2p s ILE 143 CO -0.09 0.45 -0.24 -0.70 0.00 0.00 0.00 174.94 174.37 2w2p s GLU 144 N 0.15 2.39 0.17 2.79 2.12 -0.30 0.08 118.70 126.10 2w2p s GLU 144 Ca -0.08 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 2w2p s GLU 144 Cb -0.14 -2.15 -0.07 0.00 0.26 0.00 0.00 34.13 32.03 2w2p s GLU 144 CO 0.04 0.48 1.01 -2.00 -0.54 0.00 0.00 175.26 174.25 2w2p s GLU 145 N -0.41 4.70 0.79 4.30 2.12 0.67 -0.41 118.70 130.45 2w2p s GLU 145 Ca 0.04 1.57 -0.14 0.00 0.36 0.00 0.00 54.97 56.80 2w2p s GLU 145 Cb -0.12 -3.31 0.07 0.00 0.26 0.00 0.00 34.13 31.03 2w2p s GLU 145 CO 0.01 0.24 1.22 0.34 -0.54 0.00 0.00 175.26 176.53 2w2p s ASP 146 N -0.35 3.71 0.18 -1.70 2.15 -0.07 -4.55 116.67 116.04 2w2p s ASP 146 Ca 0.46 2.42 -0.19 0.00 0.43 0.00 0.00 52.55 55.67 2w2p s ASP 146 Cb -0.26 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 39.81 2w2p s ASP 146 CO 0.33 -2.59 0.54 -0.94 -0.17 0.00 0.00 175.17 172.34 2w2p s SER 147 N -2.02 -0.36 0.24 -0.34 1.04 -1.26 -1.22 113.70 109.78 2w2p s SER 147 Ca 0.75 -0.29 -0.25 0.00 0.48 0.00 0.00 55.95 56.64 2w2p s SER 147 Cb -0.30 0.58 -0.09 0.00 0.10 0.00 0.00 66.02 66.31 2w2p s SER 147 CO 0.49 -1.01 0.84 -0.44 0.98 0.00 0.00 173.24 174.11 2w2p s SER 148 N -2.82 7.33 0.14 7.02 0.01 0.52 -4.91 113.70 121.00 2w2p s SER 148 Ca 0.05 1.70 0.09 0.00 1.31 0.00 0.00 55.95 59.10 2w2p s SER 148 Cb -0.01 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2w2p s SER 148 CO -0.08 0.07 -0.17 0.68 0.41 0.00 0.00 173.24 174.16 2w2p s VAL 149 N -1.40 2.87 0.05 3.43 -7.23 -1.26 -5.00 120.40 111.86 2w2p s VAL 149 Ca 0.43 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 2w2p s VAL 149 Cb -0.20 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2w2p s VAL 149 CO 0.25 0.01 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.54 2w2p s PHE 150 N -1.36 1.32 0.27 2.82 0.08 -1.26 -5.11 117.98 114.73 2w2p s PHE 150 Ca 0.20 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.56 2w2p s PHE 150 Cb -0.10 -0.77 -0.12 0.00 -0.57 0.00 0.00 43.02 41.46 2w2p s PHE 150 CO 0.11 0.06 1.57 0.00 -0.10 0.00 0.00 175.22 176.86 2w2p n ALA 151 N 1.68 2.23 0.62 5.36 0.00 -1.26 -5.37 120.51 123.78 2w2p n ALA 151 Ca -0.19 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.71 2w2p n ALA 151 Cb 0.54 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.63 2w2p n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54