#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3b s GLU 2 N 0.00 1.07 0.48 0.03 -1.05 -1.26 -4.98 118.70 112.99 3d3b s GLU 2 Ca 0.00 -0.94 -0.24 0.00 -0.15 0.00 0.00 54.97 53.64 3d3b s GLU 2 Cb 0.00 0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 34.03 3d3b s GLU 2 CO 0.00 -0.40 1.37 -2.14 0.95 0.00 0.00 175.26 175.05 3d3b s PRO 3 N -3.88 3.51 0.36 -4.83 0.02 -1.26 -4.87 135.00 124.05 3d3b s PRO 3 Ca 0.08 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.49 3d3b s PRO 3 Cb 0.03 -2.50 0.84 0.00 0.02 0.00 0.00 34.50 32.89 3d3b s PRO 3 CO -0.07 -0.91 1.85 0.00 -0.33 0.00 0.00 177.00 177.54 3d3b h ALA 4 N 2.02 1.86 -0.11 -1.55 0.00 -2.00 -0.87 119.26 118.62 3d3b h ALA 4 Ca -0.51 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3d3b h ALA 4 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3d3b h ALA 4 CO 0.60 -0.13 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 3d3b h ALA 5 N 1.60 1.68 -0.13 0.00 0.00 -1.91 -0.42 119.26 120.08 3d3b h ALA 5 Ca 0.48 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 3d3b h ALA 5 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3d3b h ALA 5 CO -0.23 0.24 -0.42 0.00 0.00 0.00 0.00 179.25 178.84 3d3b h ARG 6 N 0.16 0.51 -0.97 0.00 3.08 -1.49 -0.28 114.38 115.39 3d3b h ARG 6 Ca 0.04 -0.38 0.05 0.00 0.07 0.00 0.00 59.98 59.76 3d3b h ARG 6 Cb 0.24 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 3d3b h ARG 6 CO 0.01 1.00 0.63 -0.09 -1.07 0.00 0.00 179.97 180.46 3d3b h ARG 7 N 0.12 1.15 -0.34 0.04 2.43 -1.05 -1.22 114.38 115.52 3d3b h ARG 7 Ca -0.02 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 3d3b h ARG 7 Cb 1.04 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3d3b h ARG 7 CO 0.09 0.76 -0.41 0.00 -1.51 0.00 0.00 179.97 178.90 3d3b h ARG 8 N 1.18 0.83 -0.78 0.20 2.47 -1.03 -1.94 114.38 115.31 3d3b h ARG 8 Ca 0.40 -0.44 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3d3b h ARG 8 Cb 0.08 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 3d3b h ARG 8 CO -0.14 1.08 0.50 0.00 0.56 0.00 0.00 179.97 181.97 3d3b h ALA 9 N 0.86 1.01 -0.43 0.04 0.00 -0.72 -0.60 119.26 119.42 3d3b h ALA 9 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3d3b h ALA 9 Cb 0.98 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3d3b h ALA 9 CO 0.09 0.32 -0.24 -0.09 0.00 0.00 0.00 179.25 179.33 3d3b h ARG 10 N 0.98 0.90 -0.70 0.00 2.43 -1.07 0.23 114.38 117.16 3d3b h ARG 10 Ca 0.31 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3d3b h ARG 10 Cb -0.02 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3d3b h ARG 10 CO -0.10 1.04 0.33 1.49 -1.51 0.00 0.00 179.97 181.22 3d3b h GLU 11 N 0.78 1.01 -0.47 0.20 4.81 -1.00 -0.63 114.58 119.27 3d3b h GLU 11 Ca 0.10 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3d3b h GLU 11 Cb 0.80 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3d3b h GLU 11 CO 0.07 0.80 -0.04 0.00 -0.73 0.00 0.00 179.01 179.11 3d3b h ALA 13 N 1.20 1.09 -0.42 0.00 0.00 -0.33 0.46 119.26 121.26 3d3b h ALA 13 Ca 0.14 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3d3b h ALA 13 Cb 0.52 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3d3b h ALA 13 CO 0.03 0.62 0.21 0.28 0.00 0.00 0.00 179.25 180.39 3d3b h VAL 14 N 1.01 0.97 -0.37 0.00 2.07 -1.00 0.10 116.25 119.02 3d3b h VAL 14 Ca 0.22 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3d3b h VAL 14 Cb 0.28 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3d3b h VAL 14 CO -0.01 0.08 0.19 1.56 0.02 0.00 0.00 177.57 179.41 3d3b h GLN 15 N 0.42 0.52 -0.24 1.57 4.20 -1.14 -0.67 115.11 119.76 3d3b h GLN 15 Ca 0.18 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 3d3b h GLN 15 Cb 0.09 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3d3b h GLN 15 CO -0.13 0.44 -0.42 0.00 -0.67 0.00 0.00 178.83 178.05 3d3b h ALA 16 N 1.05 0.83 -0.06 3.87 0.00 -0.71 -1.27 119.26 122.96 3d3b h ALA 16 Ca 0.13 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 3d3b h ALA 16 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3d3b h ALA 16 CO -0.02 0.65 -0.67 -0.07 0.00 0.00 0.00 179.25 179.14 3d3b h LEU 17 N 0.47 0.33 -0.46 0.00 3.38 -0.72 -0.66 115.31 117.65 3d3b h LEU 17 Ca 0.04 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3d3b h LEU 17 Cb 0.93 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3d3b h LEU 17 CO 0.08 0.91 0.25 0.22 0.09 0.00 0.00 178.44 179.99 3d3b h TYR 18 N 0.20 0.46 -0.30 1.13 3.20 -0.96 0.51 116.97 121.22 3d3b h TYR 18 Ca -0.02 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3d3b h TYR 18 Cb 1.22 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 3d3b h TYR 18 CO 0.03 0.25 -0.01 0.66 -1.64 0.00 0.00 178.16 177.45 3d3b h SER 19 N 0.50 0.42 -0.19 -2.11 4.64 -0.53 -0.95 113.55 115.33 3d3b h SER 19 Ca 0.19 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 3d3b h SER 19 Cb 0.07 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3d3b h SER 19 CO -0.12 0.50 -0.45 -0.25 -0.87 0.00 0.00 176.83 175.64 3d3b h TRP 20 N 0.44 0.82 -0.69 4.77 7.01 -0.83 -0.08 115.95 127.39 3d3b h TRP 20 Ca 0.10 -0.31 0.06 0.00 2.11 0.00 0.00 58.89 60.84 3d3b h TRP 20 Cb 0.30 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 3d3b h TRP 20 CO 0.01 1.08 0.40 1.96 -2.79 0.00 0.00 178.44 179.10 3d3b h GLN 21 N 0.32 0.72 0.22 2.65 4.20 -0.26 -0.27 115.11 122.69 3d3b h GLN 21 Ca -0.00 -0.04 -0.31 0.00 0.06 0.00 0.00 58.65 58.36 3d3b h GLN 21 Cb 1.06 -0.16 0.03 0.00 0.30 0.00 0.00 27.48 28.71 3d3b h GLN 21 CO 0.10 0.47 -1.39 -0.07 -0.67 0.00 0.00 178.83 177.27 3d3b h LEU 22 N 0.74 0.72 0.00 1.46 -0.00 -1.17 -3.36 115.31 113.71 3d3b h LEU 22 Ca 0.31 -0.93 -0.18 0.00 -0.00 0.00 0.00 57.88 57.08 3d3b h LEU 22 Cb 0.17 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.57 3d3b h LEU 22 CO -0.17 1.66 -0.93 0.77 -0.00 0.00 0.00 178.44 179.77 3d3b h SER 23 N 0.02 0.00 -6.32 -0.43 4.64 -0.98 -3.47 113.55 107.00 3d3b h SER 23 Ca -0.25 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.62 3d3b h SER 23 Cb 2.04 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.94 3d3b h SER 23 CO 0.23 0.79 -0.68 0.00 -0.87 0.00 0.00 176.83 176.31 3d3b n GLN 24 N -3.24 -0.90 -1.64 4.77 1.13 -0.12 -4.98 117.38 112.39 3d3b n GLN 24 Ca -0.02 0.08 -0.32 0.00 -1.94 0.00 0.00 57.00 54.80 3d3b n GLN 24 Cb 0.87 -2.83 0.05 0.00 0.11 0.00 0.00 30.24 28.45 3d3b n GLN 24 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3d3b s ASN 25 N -3.52 5.18 0.24 1.08 0.01 -1.26 -5.02 114.94 111.65 3d3b s ASN 25 Ca 0.20 1.81 -0.31 0.00 -0.71 0.00 0.00 52.86 53.85 3d3b s ASN 25 Cb -0.12 -2.52 -0.13 0.00 0.41 0.00 0.00 41.25 38.89 3d3b s ASN 25 CO 0.72 -1.58 1.47 -0.67 -1.51 0.00 0.00 177.10 175.53 3d3b n ASP 26 N -2.81 3.03 0.04 -1.22 -0.08 -1.26 -4.83 116.55 109.43 3d3b n ASP 26 Ca 0.09 1.13 0.12 0.00 -1.51 0.00 0.00 54.79 54.62 3d3b n ASP 26 Cb 0.53 -1.46 0.57 0.00 2.34 0.00 0.00 41.12 43.10 3d3b n ASP 26 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3d3b h ILE 27 N 3.21 0.92 -0.54 5.18 6.09 -1.98 -0.14 117.51 130.25 3d3b h ILE 27 Ca -0.45 -0.07 -0.08 0.00 -1.37 0.00 0.00 64.86 62.89 3d3b h ILE 27 Cb 1.26 0.68 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 3d3b h ILE 27 CO 0.79 0.04 0.03 0.00 -3.07 0.00 0.00 178.15 175.94 3d3b h ALA 28 N 1.80 1.04 -0.24 0.18 0.00 -2.00 -0.84 119.26 119.19 3d3b h ALA 28 Ca 0.18 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3d3b h ALA 28 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3d3b h ALA 28 CO -0.03 0.60 -0.52 -0.44 0.00 0.00 0.00 179.25 178.86 3d3b h ASP 29 N 0.83 0.78 -0.29 0.00 3.45 -1.45 -2.03 116.42 117.71 3d3b h ASP 29 Ca 0.16 -0.40 0.00 0.00 0.43 0.00 0.00 57.03 57.22 3d3b h ASP 29 Cb 0.45 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 3d3b h ASP 29 CO 0.02 1.15 0.19 0.58 -1.57 0.00 0.00 179.24 179.61 3d3b h VAL 30 N 0.55 1.07 0.11 -1.35 2.07 -0.95 0.85 116.25 118.60 3d3b h VAL 30 Ca 0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3d3b h VAL 30 Cb 1.09 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3d3b h VAL 30 CO 0.11 0.07 -0.08 -0.08 0.02 0.00 0.00 177.57 177.60 3d3b h GLU 31 N 0.39 -0.20 -0.04 1.57 4.81 -1.07 0.23 114.58 120.27 3d3b h GLU 31 Ca 0.11 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3d3b h GLU 31 Cb -0.04 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3d3b h GLU 31 CO -0.03 -0.13 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.12 3d3b h TYR 32 N -0.20 -0.20 -0.41 0.92 3.20 -1.16 -1.82 116.97 117.29 3d3b h TYR 32 Ca -0.00 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 3d3b h TYR 32 Cb 0.18 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3d3b h TYR 32 CO -0.10 -0.12 -0.22 1.96 -1.64 0.00 0.00 178.16 178.04 3d3b h GLN 33 N -0.12 0.88 -0.13 1.82 4.20 -0.71 -1.10 115.11 119.95 3d3b h GLN 33 Ca 0.05 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 3d3b h GLN 33 Cb 0.18 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3d3b h GLN 33 CO -0.11 1.04 0.07 0.35 -0.67 0.00 0.00 178.83 179.51 3d3b h PHE 34 N 0.70 0.19 0.00 2.96 3.57 -0.88 -2.10 116.94 121.37 3d3b h PHE 34 Ca 0.09 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3d3b h PHE 34 Cb 0.79 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3d3b h PHE 34 CO 0.06 0.21 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.11 3d3b h LEU 35 N 0.11 0.00 0.00 0.59 3.38 -1.22 -0.19 115.31 117.98 3d3b h LEU 35 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3d3b h LEU 35 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3d3b h LEU 35 CO -0.01 0.17 -0.44 0.00 0.09 0.00 0.00 178.44 178.26 3d3b h ALA 36 N 1.83 0.72 0.00 1.53 0.00 -0.85 -3.38 119.26 119.10 3d3b h ALA 36 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3d3b h ALA 36 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3d3b h ALA 36 CO 0.02 0.54 -0.66 0.39 0.00 0.00 0.00 179.25 179.55 3d3b n GLU 37 N -3.21 3.00 -4.01 0.00 1.02 -0.82 -5.02 120.64 111.60 3d3b n GLU 37 Ca 0.02 -0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 3d3b n GLU 37 Cb 0.71 -0.87 -0.06 0.00 -0.02 0.00 0.00 31.44 31.20 3d3b n GLU 37 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3d3b s GLN 38 N -1.78 3.09 -0.50 3.49 -1.52 -0.12 -5.06 119.66 117.26 3d3b s GLN 38 Ca 0.00 -0.58 -0.28 0.00 -1.95 0.00 0.00 55.36 52.54 3d3b s GLN 38 Cb 0.02 -2.85 0.02 0.00 -0.22 0.00 0.00 33.01 29.99 3d3b s GLN 38 CO 0.14 0.59 1.32 0.34 -0.25 0.00 0.00 175.29 177.43 3d3b s ASP 39 N -2.36 6.35 -0.16 5.90 3.68 -1.26 -4.84 116.67 123.98 3d3b s ASP 39 Ca 0.30 0.45 0.16 0.00 2.13 0.00 0.00 52.55 55.59 3d3b s ASP 39 Cb -0.12 -2.55 0.34 0.00 -1.45 0.00 0.00 42.92 39.14 3d3b s ASP 39 CO 0.23 -1.49 1.18 1.33 0.13 0.00 0.00 175.17 176.54 3d3b n VAL 40 N 6.90 2.01 0.31 1.11 0.24 -1.26 -4.78 118.33 122.86 3d3b n VAL 40 Ca 0.13 -2.62 0.19 0.00 -2.04 0.00 0.00 64.34 60.00 3d3b n VAL 40 Cb 0.49 -0.24 0.97 0.00 -1.47 0.00 0.00 33.84 33.59 3d3b n VAL 40 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3d3b h LYS 41 N 0.37 0.00 -0.38 7.34 2.10 -2.01 -2.14 116.57 121.85 3d3b h LYS 41 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3d3b h LYS 41 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3d3b h LYS 41 CO 0.00 0.02 0.00 -0.40 -2.00 0.00 0.00 179.45 177.07 3d3b n ASP 42 N -3.23 4.61 -4.57 7.07 5.75 -1.26 -5.01 116.55 119.91 3d3b n ASP 42 Ca -0.02 -2.99 -0.32 0.00 -0.01 0.00 0.00 54.79 51.45 3d3b n ASP 42 Cb 0.17 -0.60 -0.11 0.00 -1.03 0.00 0.00 41.12 39.55 3d3b n ASP 42 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d3b s VAL 43 N -2.81 3.56 -0.99 2.12 1.01 -0.81 -4.31 120.40 118.17 3d3b s VAL 43 Ca 0.47 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3d3b s VAL 43 Cb 0.37 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 34.26 3d3b s VAL 43 CO 0.12 0.44 1.57 -0.62 0.00 0.00 0.00 175.10 176.61 3d3b s ASP 44 N -1.26 6.16 0.28 3.32 -1.08 -0.26 -4.85 116.67 118.97 3d3b s ASP 44 Ca 0.16 -1.24 0.03 0.00 -0.52 0.00 0.00 52.55 50.97 3d3b s ASP 44 Cb -0.11 -2.57 0.41 0.00 -1.46 0.00 0.00 42.92 39.20 3d3b s ASP 44 CO 0.06 -1.82 1.72 0.58 0.52 0.00 0.00 175.17 176.22 3d3b h VAL 45 N 6.90 1.27 -0.47 1.11 2.07 -1.90 -1.80 116.25 123.44 3d3b h VAL 45 Ca 0.17 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3d3b h VAL 45 Cb 1.01 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3d3b h VAL 45 CO 1.37 0.41 0.02 -0.07 0.02 0.00 0.00 177.57 179.32 3d3b h LEU 46 N 0.40 0.73 -0.46 2.57 3.38 -2.00 -0.00 115.31 119.93 3d3b h LEU 46 Ca 0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3d3b h LEU 46 Cb 0.69 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3d3b h LEU 46 CO 0.05 0.79 0.03 0.22 0.09 0.00 0.00 178.44 179.62 3d3b h TYR 47 N 0.72 0.85 -0.38 1.13 3.20 -1.86 -1.17 116.97 119.46 3d3b h TYR 47 Ca 0.15 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.94 3d3b h TYR 47 Cb 0.41 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 3d3b h TYR 47 CO 0.02 0.82 0.07 0.35 -1.64 0.00 0.00 178.16 177.78 3d3b h PHE 48 N 0.64 0.11 -0.73 -3.82 3.57 -0.85 0.95 116.94 116.81 3d3b h PHE 48 Ca 0.13 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3d3b h PHE 48 Cb 0.46 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3d3b h PHE 48 CO 0.03 0.01 0.37 0.00 -2.23 0.00 0.00 178.31 176.49 3d3b h ARG 49 N 0.19 1.05 -0.22 1.11 3.08 -0.82 -0.20 114.38 118.57 3d3b h ARG 49 Ca 0.18 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3d3b h ARG 49 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3d3b h ARG 49 CO -0.24 0.80 -0.13 0.93 -1.07 0.00 0.00 179.97 180.26 3d3b h GLU 50 N 1.02 0.48 -0.48 0.04 5.08 -0.80 -1.71 114.58 118.20 3d3b h GLU 50 Ca 0.25 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3d3b h GLU 50 Cb 0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3d3b h GLU 50 CO -0.04 0.77 -0.01 1.25 -1.00 0.00 0.00 179.01 179.99 3d3b h LEU 51 N 0.18 0.85 0.01 1.33 5.85 -0.65 -0.45 115.31 122.42 3d3b h LEU 51 Ca 0.05 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3d3b h LEU 51 Cb 0.64 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3d3b h LEU 51 CO 0.04 0.95 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.89 3d3b h LEU 52 N 0.72 -0.38 -1.02 2.25 3.38 -0.92 -1.29 115.31 118.05 3d3b h LEU 52 Ca 0.14 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3d3b h LEU 52 Cb 0.52 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3d3b h LEU 52 CO 0.03 -0.19 0.45 0.00 0.09 0.00 0.00 178.44 178.82 3d3b h ALA 53 N 0.72 1.25 -0.14 1.53 0.00 -1.23 -2.06 119.26 119.33 3d3b h ALA 53 Ca 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3d3b h ALA 53 Cb 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3d3b h ALA 53 CO -0.12 0.61 -0.10 0.78 0.00 0.00 0.00 179.25 180.41 3d3b h GLY 54 N 1.16 0.34 0.98 0.00 0.00 -0.86 -0.63 103.07 104.06 3d3b h GLY 54 Ca 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3d3b h GLY 54 CO -0.05 0.29 0.20 -2.08 0.00 0.00 0.00 176.54 174.91 3d3b h VAL 55 N -0.05 1.22 -0.94 4.60 2.07 -1.15 -2.30 116.25 119.69 3d3b h VAL 55 Ca 0.03 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3d3b h VAL 55 Cb 0.60 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3d3b h VAL 55 CO 0.03 0.26 0.61 0.00 0.02 0.00 0.00 177.57 178.49 3d3b h ALA 56 N 1.05 1.20 -0.04 1.67 0.00 -1.25 -2.00 119.26 119.90 3d3b h ALA 56 Ca 0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3d3b h ALA 56 Cb 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3d3b h ALA 56 CO -0.01 0.62 -0.46 1.79 0.00 0.00 0.00 179.25 181.19 3d3b h THR 57 N 1.29 1.33 -0.35 0.00 1.35 -0.96 -3.29 112.91 112.28 3d3b h THR 57 Ca 0.34 -1.60 -0.08 0.00 -0.55 0.00 0.00 66.41 64.53 3d3b h THR 57 Cb -0.12 1.81 -0.05 0.00 -1.73 0.00 0.00 68.15 68.07 3d3b h THR 57 CO -0.07 0.46 0.02 0.59 -0.25 0.00 0.00 175.52 176.28 3d3b n ASN 58 N -3.99 3.68 0.02 5.36 3.02 -0.88 -4.77 115.26 117.71 3d3b n ASN 58 Ca -0.02 -3.23 -0.10 0.00 -0.03 0.00 0.00 54.58 51.20 3d3b n ASN 58 Cb 0.49 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 3d3b n ASN 58 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3d3b h THR 59 N 1.72 0.64 -0.57 3.41 2.02 -1.45 -0.34 112.91 118.35 3d3b h THR 59 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3d3b h THR 59 Cb 1.63 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 3d3b h THR 59 CO 0.34 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.60 3d3b h ALA 60 N 0.80 0.72 -0.26 6.16 0.00 -1.89 0.62 119.26 125.42 3d3b h ALA 60 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3d3b h ALA 60 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3d3b h ALA 60 CO -0.19 0.14 0.17 -0.92 0.00 0.00 0.00 179.25 178.46 3d3b h TYR 61 N 0.75 0.33 -0.42 0.00 5.03 -1.81 0.08 116.97 120.93 3d3b h TYR 61 Ca 0.21 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.46 3d3b h TYR 61 Cb -0.07 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 3d3b h TYR 61 CO -0.04 0.21 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.92 3d3b h LEU 62 N 0.35 0.74 -1.08 2.82 3.38 -0.31 -1.57 115.31 119.65 3d3b h LEU 62 Ca 0.10 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3d3b h LEU 62 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3d3b h LEU 62 CO -0.02 0.88 -0.24 0.44 0.09 0.00 0.00 178.44 179.60 3d3b h ASP 63 N 0.58 0.37 -0.57 -0.43 3.32 -0.80 -1.55 116.42 117.34 3d3b h ASP 63 Ca 0.12 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d3b h ASP 63 Cb 0.52 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3d3b h ASP 63 CO 0.03 0.61 0.36 1.23 -1.72 0.00 0.00 179.24 179.74 3d3b h GLY 64 N 0.99 0.81 1.04 2.75 0.00 -0.65 -0.27 103.07 107.74 3d3b h GLY 64 Ca 0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3d3b h GLY 64 CO 0.04 0.31 0.35 1.41 0.00 0.00 0.00 176.54 178.65 3d3b h LEU 65 N 0.76 1.08 -0.48 3.11 3.38 -0.89 -3.14 115.31 119.13 3d3b h LEU 65 Ca 0.21 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3d3b h LEU 65 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3d3b h LEU 65 CO -0.04 0.94 -0.68 -0.03 0.09 0.00 0.00 178.44 178.72 3d3b h MET 66 N 1.15 0.36 -0.56 1.13 4.05 -0.96 -3.38 114.93 116.72 3d3b h MET 66 Ca 0.27 -0.27 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 3d3b h MET 66 Cb 0.18 0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 30.92 3d3b h MET 66 CO -0.03 0.91 -0.14 -0.22 0.23 0.00 0.00 176.91 177.66 3d3b h LYS 67 N 0.25 0.00 -0.59 0.39 3.64 -1.00 -1.79 116.57 117.47 3d3b h LYS 67 Ca -0.02 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 3d3b h LYS 67 Cb 1.23 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 3d3b h LYS 67 CO 0.11 0.00 0.40 -1.35 -2.27 0.00 0.00 179.45 176.34 3d3b h PRO 68 N 0.00 0.37 0.00 1.90 0.11 -1.77 -0.51 132.00 132.09 3d3b h PRO 68 Ca 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3d3b h PRO 68 Cb 0.41 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3d3b h PRO 68 CO -0.57 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 178.12 3d3b n TYR 69 N -4.47 0.00 0.48 0.65 4.01 -0.68 -2.92 117.16 114.24 3d3b n TYR 69 Ca 0.10 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.93 3d3b n TYR 69 Cb 0.39 -0.25 0.12 0.00 -0.31 0.00 0.00 39.34 39.28 3d3b n TYR 69 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3d3b n LEU 70 N -1.25 2.74 0.27 7.72 4.77 -0.20 -4.64 117.00 126.39 3d3b n LEU 70 Ca 0.14 -1.25 0.10 0.00 -0.03 0.00 0.00 56.01 54.97 3d3b n LEU 70 Cb 0.20 -0.09 0.72 0.00 -2.33 0.00 0.00 43.42 41.91 3d3b n LEU 70 CO 0.20 0.55 1.04 0.77 -1.33 0.00 0.00 177.39 178.62 3d3b h SER 71 N 3.43 0.00 0.65 -1.43 4.64 -1.53 -2.45 113.55 116.85 3d3b h SER 71 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d3b h SER 71 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3d3b h SER 71 CO 0.00 0.05 -0.59 -1.14 -0.87 0.00 0.00 176.83 174.29 3d3b n ARG 72 N -4.14 0.14 -2.05 4.77 3.00 -1.26 -4.95 116.66 112.17 3d3b n ARG 72 Ca -0.03 0.03 -0.42 0.00 -0.00 0.00 0.00 57.85 57.44 3d3b n ARG 72 Cb 0.14 -1.58 -0.03 0.00 0.00 0.00 0.00 32.46 30.99 3d3b n ARG 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3d3b s LEU 73 N -3.57 4.38 0.32 6.15 1.43 -0.93 -4.91 118.68 121.56 3d3b s LEU 73 Ca 0.08 2.55 0.20 0.00 -1.03 0.00 0.00 54.13 55.93 3d3b s LEU 73 Cb 0.16 -3.61 0.16 0.00 0.03 0.00 0.00 46.19 42.93 3d3b s LEU 73 CO 0.71 -0.70 1.41 -0.07 0.23 0.00 0.00 176.35 177.93 3d3b h LEU 74 N 5.86 0.00 -9.12 1.79 3.38 -1.92 -3.47 115.31 111.83 3d3b h LEU 74 Ca -0.44 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.88 3d3b h LEU 74 Cb 1.21 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.79 3d3b h LEU 74 CO 0.83 0.20 -0.79 -1.61 0.09 0.00 0.00 178.44 177.15 3d3b s GLU 75 N -3.13 1.66 0.37 1.13 2.02 -1.26 -5.11 118.70 114.38 3d3b s GLU 75 Ca 0.04 -1.49 -0.27 0.00 0.02 0.00 0.00 54.97 53.27 3d3b s GLU 75 Cb 0.07 -1.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.27 3d3b s GLU 75 CO 0.72 0.40 1.31 -0.85 0.02 0.00 0.00 175.26 176.87 3d3b n GLU 76 N 0.14 2.16 -1.65 1.61 0.28 -1.26 -4.91 120.64 117.00 3d3b n GLU 76 Ca -0.12 0.76 -0.46 0.00 -0.16 0.00 0.00 57.16 57.18 3d3b n GLU 76 Cb 0.56 -2.40 -0.03 0.00 1.43 0.00 0.00 31.44 31.00 3d3b n GLU 76 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3d3b n LEU 77 N 0.56 2.75 -4.71 -1.84 7.94 -1.26 -4.92 117.00 115.52 3d3b n LEU 77 Ca 0.05 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.71 3d3b n LEU 77 Cb 0.37 -1.38 0.07 0.00 0.53 0.00 0.00 43.42 43.02 3d3b n LEU 77 CO 0.62 -0.62 0.83 0.61 -1.11 0.00 0.00 177.39 177.72 3d3b n GLY 78 N 2.39 0.37 0.29 -3.96 0.00 -1.26 -4.82 105.19 98.19 3d3b n GLY 78 Ca 0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3d3b n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d3b h GLN 79 N 0.44 1.00 -0.38 1.61 1.08 -1.99 -0.67 115.11 116.21 3d3b h GLN 79 Ca -0.50 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 56.41 3d3b h GLN 79 Cb 1.34 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 3d3b h GLN 79 CO 0.52 0.93 0.11 0.28 -0.95 0.00 0.00 178.83 179.72 3d3b h VAL 80 N 0.91 1.22 -0.67 -0.54 2.07 -1.92 -1.80 116.25 115.51 3d3b h VAL 80 Ca 0.19 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3d3b h VAL 80 Cb 0.40 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3d3b h VAL 80 CO 0.01 0.25 0.31 -0.33 0.02 0.00 0.00 177.57 177.82 3d3b h GLU 81 N 0.46 0.97 -0.41 1.57 3.07 -1.86 -0.29 114.58 118.09 3d3b h GLU 81 Ca 0.12 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3d3b h GLU 81 Cb 0.27 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3d3b h GLU 81 CO -0.00 0.76 0.17 -0.22 -1.40 0.00 0.00 179.01 178.32 3d3b h LYS 82 N 0.96 0.60 -0.33 2.33 3.64 -0.91 0.10 116.57 122.96 3d3b h LYS 82 Ca 0.23 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3d3b h LYS 82 Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3d3b h LYS 82 CO -0.03 0.55 0.13 0.00 -2.27 0.00 0.00 179.45 177.83 3d3b h ALA 83 N 1.02 0.43 -0.39 5.00 0.00 -0.74 -0.18 119.26 124.40 3d3b h ALA 83 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3d3b h ALA 83 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3d3b h ALA 83 CO -0.01 0.03 0.21 0.28 0.00 0.00 0.00 179.25 179.76 3d3b h VAL 84 N 0.38 1.15 -0.27 0.00 2.07 -0.90 -1.28 116.25 117.41 3d3b h VAL 84 Ca 0.11 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 3d3b h VAL 84 Cb 0.19 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3d3b h VAL 84 CO -0.01 0.16 -0.42 -0.07 0.02 0.00 0.00 177.57 177.25 3d3b h LEU 85 N 0.50 0.71 -0.35 2.57 3.38 -0.89 -0.47 115.31 120.76 3d3b h LEU 85 Ca 0.14 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3d3b h LEU 85 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3d3b h LEU 85 CO -0.02 1.04 0.15 0.03 0.09 0.00 0.00 178.44 179.72 3d3b h ARG 86 N 0.54 0.30 -0.37 1.13 3.08 -0.80 0.01 114.38 118.27 3d3b h ARG 86 Ca 0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3d3b h ARG 86 Cb 0.96 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3d3b h ARG 86 CO 0.09 0.20 0.11 0.82 -1.07 0.00 0.00 179.97 180.11 3d3b h ILE 87 N 0.31 1.22 -0.34 2.04 2.04 -1.00 -0.55 117.51 121.22 3d3b h ILE 87 Ca 0.15 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3d3b h ILE 87 Cb 0.10 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3d3b h ILE 87 CO -0.14 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.41 3d3b h ALA 88 N 0.95 0.45 -0.49 1.87 0.00 -0.81 0.26 119.26 121.48 3d3b h ALA 88 Ca 0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3d3b h ALA 88 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3d3b h ALA 88 CO -0.00 0.03 -0.02 -0.07 0.00 0.00 0.00 179.25 179.19 3d3b h LEU 89 N 0.41 0.81 -0.12 0.00 3.38 -0.95 -0.08 115.31 118.76 3d3b h LEU 89 Ca 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3d3b h LEU 89 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3d3b h LEU 89 CO -0.01 0.89 0.06 0.22 0.09 0.00 0.00 178.44 179.68 3d3b h TYR 90 N 0.78 0.18 -0.59 1.13 3.20 -0.76 -0.69 116.97 120.22 3d3b h TYR 90 Ca 0.15 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3d3b h TYR 90 Cb 0.50 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3d3b h TYR 90 CO 0.03 0.25 0.21 0.93 -1.64 0.00 0.00 178.16 177.94 3d3b h GLU 91 N 0.07 0.91 -0.76 1.82 5.08 -0.71 0.21 114.58 121.19 3d3b h GLU 91 Ca 0.04 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3d3b h GLU 91 Cb 0.14 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3d3b h GLU 91 CO -0.00 0.79 0.41 -0.07 -1.00 0.00 0.00 179.01 179.14 3d3b h LEU 92 N 0.83 0.94 0.00 1.33 3.38 -0.86 -1.20 115.31 119.73 3d3b h LEU 92 Ca 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3d3b h LEU 92 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3d3b h LEU 92 CO -0.01 0.76 -1.19 -1.54 0.09 0.00 0.00 178.44 176.55 3d3b n SER 93 N -4.35 0.82 0.00 -0.43 3.41 -0.28 -4.62 113.62 108.17 3d3b n SER 93 Ca 0.08 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 3d3b n SER 93 Cb 0.10 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3d3b n SER 93 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d3b n LYS 94 N -2.74 3.29 -3.14 4.33 4.76 0.69 -4.89 118.16 120.46 3d3b n LYS 94 Ca -0.04 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.10 3d3b n LYS 94 Cb 0.66 -0.72 -0.05 0.00 -1.84 0.00 0.00 35.03 33.08 3d3b n LYS 94 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d3b n ARG 95 N -0.67 3.23 0.10 1.97 5.12 -0.46 -4.85 116.66 121.10 3d3b n ARG 95 Ca 0.00 -4.74 0.09 0.00 -1.93 0.00 0.00 57.85 51.28 3d3b n ARG 95 Cb 0.00 -2.29 0.43 0.00 -1.16 0.00 0.00 32.46 29.44 3d3b n ARG 95 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3d3b n SER 96 N 0.41 0.45 0.21 0.55 7.64 -1.25 -0.51 113.62 121.13 3d3b n SER 96 Ca 0.31 0.65 0.14 0.00 1.01 0.00 0.00 58.87 60.98 3d3b n SER 96 Cb 0.38 -0.73 0.74 0.00 -1.01 0.00 0.00 64.21 63.59 3d3b n SER 96 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3d3b h ASP 97 N 0.00 0.00 -3.65 6.43 2.03 -1.91 -3.38 116.42 115.94 3d3b h ASP 97 Ca 0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 3d3b h ASP 97 Cb 0.20 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.56 3d3b h ASP 97 CO 0.00 0.00 -0.21 -0.69 -1.03 0.00 0.00 179.24 177.31 3d3b s VAL 98 N -3.70 5.17 0.45 4.15 1.01 0.34 -5.03 120.40 122.79 3d3b s VAL 98 Ca -0.03 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 62.33 3d3b s VAL 98 Cb 0.08 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3d3b s VAL 98 CO 0.25 0.17 1.26 -2.65 0.00 0.00 0.00 175.10 174.13 3d3b n PRO 99 N 5.14 1.82 -0.21 2.72 -0.02 -1.26 -4.78 135.00 138.41 3d3b n PRO 99 Ca -0.08 0.65 -0.04 0.00 -2.02 0.00 0.00 63.50 62.01 3d3b n PRO 99 Cb 0.51 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3d3b n PRO 99 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3d3b h TYR 100 N 1.87 -0.83 -0.08 6.00 5.03 -1.87 -1.30 116.97 125.78 3d3b h TYR 100 Ca -0.48 0.07 -0.07 0.00 2.58 0.00 0.00 58.73 60.82 3d3b h TYR 100 Cb 1.30 0.46 -0.01 0.00 1.55 0.00 0.00 36.73 40.03 3d3b h TYR 100 CO 0.47 -0.37 -0.29 0.87 -1.32 0.00 0.00 178.16 177.51 3d3b h LYS 101 N -0.13 0.15 -0.17 1.82 1.57 -1.90 -2.68 116.57 115.23 3d3b h LYS 101 Ca 0.25 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3d3b h LYS 101 Cb 0.55 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3d3b h LYS 101 CO -0.69 0.44 -0.01 0.28 -0.57 0.00 0.00 179.45 178.89 3d3b h VAL 102 N 0.13 1.26 -0.77 0.50 2.07 -1.64 0.39 116.25 118.21 3d3b h VAL 102 Ca 0.02 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.71 3d3b h VAL 102 Cb 0.59 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3d3b h VAL 102 CO 0.04 0.27 0.45 0.00 0.02 0.00 0.00 177.57 178.35 3d3b h ALA 103 N 0.76 1.05 0.08 1.67 0.00 -1.08 0.60 119.26 122.34 3d3b h ALA 103 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d3b h ALA 103 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3d3b h ALA 103 CO 0.01 0.15 -0.04 0.82 0.00 0.00 0.00 179.25 180.19 3d3b h ILE 104 N 0.82 1.18 -0.88 0.00 2.04 -1.41 -2.52 117.51 116.74 3d3b h ILE 104 Ca 0.34 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3d3b h ILE 104 Cb 0.21 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 3d3b h ILE 104 CO -0.19 0.28 0.50 -1.13 0.00 0.00 0.00 178.15 177.61 3d3b h ASN 105 N -0.69 1.08 0.21 1.72 -1.24 -0.72 -2.06 115.58 113.89 3d3b h ASN 105 Ca -0.01 -0.08 -0.14 0.00 0.71 0.00 0.00 56.30 56.77 3d3b h ASN 105 Cb 0.55 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3d3b h ASN 105 CO 0.02 0.86 -0.54 -0.33 -1.29 0.00 0.00 177.43 176.15 3d3b h GLU 106 N 1.23 0.36 -0.61 6.67 4.39 -0.94 -1.13 114.58 124.54 3d3b h GLU 106 Ca 0.31 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.80 3d3b h GLU 106 Cb -0.00 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3d3b h GLU 106 CO -0.05 0.81 0.41 0.00 -1.16 0.00 0.00 179.01 179.01 3d3b h ALA 107 N 1.15 0.78 -0.58 3.43 0.00 -0.98 -0.05 119.26 123.01 3d3b h ALA 107 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3d3b h ALA 107 Cb 1.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3d3b h ALA 107 CO 0.09 0.21 0.21 0.82 0.00 0.00 0.00 179.25 180.58 3d3b h ILE 108 N 0.83 1.23 -0.70 0.00 2.04 -1.03 -0.90 117.51 118.99 3d3b h ILE 108 Ca 0.23 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 3d3b h ILE 108 Cb -0.10 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3d3b h ILE 108 CO -0.05 0.29 0.15 -0.33 0.00 0.00 0.00 178.15 178.21 3d3b h GLU 109 N 0.80 1.12 -0.70 2.37 4.39 -0.93 -0.78 114.58 120.86 3d3b h GLU 109 Ca 0.19 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 3d3b h GLU 109 Cb 0.24 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3d3b h GLU 109 CO -0.01 1.00 0.17 -0.07 -1.16 0.00 0.00 179.01 178.93 3d3b h LEU 110 N 1.06 1.06 -0.88 1.33 3.38 -0.67 -1.53 115.31 119.05 3d3b h LEU 110 Ca 0.22 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3d3b h LEU 110 Cb 0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3d3b h LEU 110 CO 0.01 1.02 0.21 0.00 0.09 0.00 0.00 178.44 179.76 3d3b h ALA 111 N 1.08 1.10 -0.29 1.53 0.00 -0.82 -0.39 119.26 121.46 3d3b h ALA 111 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d3b h ALA 111 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3d3b h ALA 111 CO 0.00 0.62 0.19 0.87 0.00 0.00 0.00 179.25 180.93 3d3b h LYS 112 N 0.99 0.38 0.05 0.00 1.57 -0.80 0.78 116.57 119.54 3d3b h LYS 112 Ca 0.22 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.73 3d3b h LYS 112 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3d3b h LYS 112 CO -0.01 0.26 -1.04 0.66 -0.57 0.00 0.00 179.45 178.75 3d3b h SER 113 N 0.39 0.48 0.00 0.86 4.64 -0.99 -3.36 113.55 115.58 3d3b h SER 113 Ca 0.11 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3d3b h SER 113 Cb -0.04 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3d3b h SER 113 CO -0.02 1.26 -0.52 0.49 -0.87 0.00 0.00 176.83 177.17 3d3b n PHE 114 N -3.67 0.00 -0.00 4.77 3.72 -0.18 -4.91 117.46 117.17 3d3b n PHE 114 Ca -0.07 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.42 3d3b n PHE 114 Cb 0.90 -0.01 -0.14 0.00 -0.94 0.00 0.00 39.48 39.28 3d3b n PHE 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d3b n GLY 115 N 1.27 -0.85 0.00 1.37 0.00 0.27 -4.96 105.19 102.29 3d3b n GLY 115 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3d3b n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3b n ALA 116 N -2.14 0.00 -0.01 4.61 0.00 -1.26 -4.71 120.51 117.00 3d3b n ALA 116 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 3d3b n ALA 116 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 3d3b n ALA 116 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3d3b h GLU 117 N 0.00 -0.00 -0.22 0.00 4.81 -1.94 -3.03 114.58 114.19 3d3b h GLU 117 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3d3b h GLU 117 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3d3b h GLU 117 CO 0.00 -0.00 -0.10 -0.25 -0.73 0.00 0.00 179.01 177.93 3d3b n ASP 118 N -2.98 2.73 -0.28 1.04 8.00 -1.26 -4.59 116.55 119.20 3d3b n ASP 118 Ca 0.00 -3.47 0.02 0.00 0.71 0.00 0.00 54.79 52.05 3d3b n ASP 118 Cb 0.01 -0.56 0.23 0.00 -0.02 0.00 0.00 41.12 40.78 3d3b n ASP 118 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3d3b h SER 119 N 1.04 0.91 0.11 -2.24 0.02 -1.81 -1.22 113.55 110.36 3d3b h SER 119 Ca 0.09 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3d3b h SER 119 Cb 1.40 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3d3b h SER 119 CO 0.22 0.62 -0.25 1.12 -1.14 0.00 0.00 176.83 177.40 3d3b h HIS 120 N 1.05 0.27 -0.34 3.45 2.07 -1.79 0.93 115.15 120.79 3d3b h HIS 120 Ca 0.35 -0.05 -0.15 0.00 -2.85 0.00 0.00 60.37 57.67 3d3b h HIS 120 Cb 0.07 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3d3b h HIS 120 CO -0.00 0.49 -0.40 0.87 -3.07 0.00 0.00 177.93 175.82 3d3b h LYS 121 N 0.22 0.82 -0.19 5.12 1.57 -1.73 -0.66 116.57 121.73 3d3b h LYS 121 Ca 0.04 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3d3b h LYS 121 Cb 0.57 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3d3b h LYS 121 CO 0.04 1.07 0.07 0.35 -0.57 0.00 0.00 179.45 180.41 3d3b h PHE 122 N 0.67 0.29 -0.49 -1.35 3.57 -0.75 -1.17 116.94 117.72 3d3b h PHE 122 Ca 0.05 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3d3b h PHE 122 Cb 0.96 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 3d3b h PHE 122 CO 0.05 0.36 0.25 0.28 -2.23 0.00 0.00 178.31 177.03 3d3b h VAL 123 N 0.14 1.18 -0.59 1.41 2.07 -0.78 -1.38 116.25 118.29 3d3b h VAL 123 Ca 0.06 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3d3b h VAL 123 Cb 0.20 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3d3b h VAL 123 CO -0.00 0.19 0.29 -1.13 0.02 0.00 0.00 177.57 176.95 3d3b h ASN 124 N 0.64 0.41 -0.62 0.57 -1.24 -0.94 -1.41 115.58 112.99 3d3b h ASN 124 Ca 0.17 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 3d3b h ASN 124 Cb 0.08 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 3d3b h ASN 124 CO -0.02 0.26 0.22 1.23 -1.29 0.00 0.00 177.43 177.83 3d3b h GLY 125 N 0.55 1.02 0.86 1.57 0.00 -0.70 -0.17 103.07 106.19 3d3b h GLY 125 Ca 0.27 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3d3b h GLY 125 CO -0.20 0.54 0.05 -2.08 0.00 0.00 0.00 176.54 174.86 3d3b h VAL 126 N 0.88 1.18 0.00 4.60 2.07 -0.91 -3.01 116.25 121.05 3d3b h VAL 126 Ca 0.20 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3d3b h VAL 126 Cb 0.25 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3d3b h VAL 126 CO -0.01 0.17 -0.48 -0.07 0.02 0.00 0.00 177.57 177.20 3d3b h LEU 127 N 0.08 0.00 -1.41 2.57 3.38 -1.15 -0.23 115.31 118.54 3d3b h LEU 127 Ca 0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3d3b h LEU 127 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3d3b h LEU 127 CO -0.00 0.48 0.41 -0.78 0.09 0.00 0.00 178.44 178.64 3d3b h ASP 128 N 0.00 0.68 0.13 -0.43 3.58 -0.90 0.11 116.42 119.60 3d3b h ASP 128 Ca -0.00 -0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.17 3d3b h ASP 128 Cb 0.88 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.78 3d3b h ASP 128 CO 0.06 0.48 -1.27 0.11 -2.88 0.00 0.00 179.24 175.75 3d3b h LYS 129 N 0.80 0.29 0.18 0.28 1.57 -1.33 -3.41 116.57 114.94 3d3b h LYS 129 Ca 0.24 -0.49 -0.31 0.00 -1.87 0.00 0.00 60.65 58.22 3d3b h LYS 129 Cb -0.03 0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.48 3d3b h LYS 129 CO -0.06 1.23 -1.40 0.00 -0.57 0.00 0.00 179.45 178.66 3d3b h ALA 130 N 0.01 0.01 -0.37 3.86 0.00 -0.88 -3.38 119.26 118.52 3d3b h ALA 130 Ca -0.26 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.74 3d3b h ALA 130 Cb 1.77 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3d3b h ALA 130 CO 0.10 0.89 0.24 0.00 0.00 0.00 0.00 179.25 180.48 3d3b h ALA 131 N 0.38 0.47 0.00 0.00 0.00 -1.20 -2.35 119.26 116.55 3d3b h ALA 131 Ca -0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3d3b h ALA 131 Cb 2.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 3d3b h ALA 131 CO 0.23 -0.07 -0.03 -1.35 0.00 0.00 0.00 179.25 178.02 3d3b h PRO 132 N 0.50 0.00 -0.15 0.00 0.11 -1.78 -0.10 132.00 130.58 3d3b h PRO 132 Ca 0.13 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 3d3b h PRO 132 Cb -0.05 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.07 3d3b h PRO 132 CO -0.03 0.03 -0.78 0.28 -0.21 0.00 0.00 178.00 177.29 3d3b h VAL 133 N 0.00 1.28 -0.13 3.15 2.07 -1.61 -2.89 116.25 118.11 3d3b h VAL 133 Ca -0.00 -1.98 -0.12 0.00 0.82 0.00 0.00 66.70 65.42 3d3b h VAL 133 Cb 0.32 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3d3b h VAL 133 CO 0.00 0.63 -0.37 0.40 0.02 0.00 0.00 177.57 178.25 3d3b h ILE 134 N 0.54 1.37 -3.17 4.57 2.04 -0.98 -3.37 117.51 118.50 3d3b h ILE 134 Ca -0.05 -1.66 -0.63 0.00 1.00 0.00 0.00 64.86 63.52 3d3b h ILE 134 Cb 1.41 2.07 -0.41 0.00 -0.74 0.00 0.00 36.82 39.15 3d3b h ILE 134 CO 0.16 0.50 -0.64 -0.13 0.00 0.00 0.00 178.15 178.04 3d3b s ARG 135 N -3.88 2.02 0.61 2.37 0.52 -0.12 -4.91 118.95 115.57 3d3b s ARG 135 Ca -0.13 -2.80 0.33 0.00 -0.52 0.00 0.00 55.73 52.61 3d3b s ARG 135 Cb 0.06 -3.14 1.95 0.00 0.52 0.00 0.00 34.95 34.33 3d3b s ARG 135 CO 0.81 -1.20 2.25 -1.35 0.02 0.00 0.00 175.30 175.83 3d3b h PRO 136 N 6.06 0.00 0.00 3.54 0.11 -1.69 0.07 132.00 140.09 3d3b h PRO 136 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3d3b h PRO 136 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3d3b h PRO 136 CO 0.66 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.72 3d3b n ASN 137 N -3.63 0.09 -3.52 -2.05 6.94 -1.26 -4.93 115.26 106.91 3d3b n ASN 137 Ca -0.02 0.51 -0.26 0.00 -0.02 0.00 0.00 54.58 54.79 3d3b n ASN 137 Cb 0.12 -0.53 0.04 0.00 -2.36 0.00 0.00 39.78 37.05 3d3b n ASN 137 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3d3b n LYS 138 N -1.59 -5.75 0.00 -3.83 5.02 0.01 -5.16 118.16 106.86 3d3b n LYS 138 Ca 0.06 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3d3b n LYS 138 Cb 0.30 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 29.68 3d3b n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51