#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z n ILE 3 N 0.00 0.04 0.00 -1.44 5.41 -1.26 -4.56 119.36 117.55 3i1z n ILE 3 Ca 0.00 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.17 3i1z n ILE 3 Cb 0.00 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 36.58 3i1z n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i1z n LYS 4 N 8.80 0.00 0.00 0.38 0.00 -1.26 -5.08 118.16 121.01 3i1z n LYS 4 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.71 3i1z n LYS 4 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 3i1z n LYS 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3i1z n SER 5 N 0.00 0.00 -1.78 3.14 2.88 -1.26 -2.13 113.62 114.47 3i1z n SER 5 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 3i1z n SER 5 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3i1z n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1z n ALA 6 N 5.85 3.89 1.69 -1.46 0.00 -1.26 -3.39 120.51 125.82 3i1z n ALA 6 Ca 0.00 -0.42 0.15 0.00 0.00 0.00 0.00 53.44 53.17 3i1z n ALA 6 Cb 0.00 -1.57 0.81 0.00 0.00 0.00 0.00 19.45 18.70 3i1z n ALA 6 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i1z n LYS 7 N 1.93 0.78 0.03 0.00 2.85 -0.91 -2.15 118.16 120.69 3i1z n LYS 7 Ca 0.10 -0.08 0.11 0.00 -1.05 0.00 0.00 58.31 57.39 3i1z n LYS 7 Cb 0.47 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.39 3i1z n LYS 7 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3i1z n LYS 8 N -1.04 0.30 0.23 -1.58 2.85 -1.22 -3.41 118.16 114.29 3i1z n LYS 8 Ca 0.19 0.01 0.06 0.00 -1.05 0.00 0.00 58.31 57.51 3i1z n LYS 8 Cb 0.19 -1.61 0.51 0.00 -0.65 0.00 0.00 35.03 33.48 3i1z n LYS 8 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3i1z h ARG 9 N 0.00 0.00 0.00 -1.58 9.65 -1.72 -2.77 114.38 117.96 3i1z h ARG 9 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i1z h ARG 9 Cb 0.74 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 3i1z h ARG 9 CO 0.00 0.18 0.00 0.00 2.80 0.00 0.00 179.97 182.95 3i1z n ALA 10 N -2.50 -0.12 -0.39 2.80 0.00 -1.22 -1.77 120.51 117.32 3i1z n ALA 10 Ca -0.02 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.72 3i1z n ALA 10 Cb 0.24 0.03 0.60 0.00 0.00 0.00 0.00 19.45 20.32 3i1z n ALA 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3i1z h ILE 11 N 0.00 0.32 -0.73 0.00 3.07 -1.71 1.18 117.51 119.64 3i1z h ILE 11 Ca 0.00 -0.07 -0.04 0.00 1.55 0.00 0.00 64.86 66.30 3i1z h ILE 11 Cb 0.00 0.09 -0.03 0.00 -0.27 0.00 0.00 36.82 36.61 3i1z h ILE 11 CO 0.00 0.04 0.31 -0.61 -1.05 0.00 0.00 178.15 176.84 3i1z h GLN 12 N 0.21 1.06 -0.06 0.16 4.15 -1.47 0.17 115.11 119.33 3i1z h GLN 12 Ca 0.70 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.91 3i1z h GLN 12 Cb 2.11 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.60 3i1z h GLN 12 CO -0.32 0.84 -0.18 0.66 -1.93 0.00 0.00 178.83 177.90 3i1z h SER 13 N 1.05 0.09 0.43 -0.69 4.64 0.22 -2.91 113.55 116.38 3i1z h SER 13 Ca 0.25 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 3i1z h SER 13 Cb 0.16 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3i1z h SER 13 CO -0.03 0.28 -0.21 -0.08 -0.87 0.00 0.00 176.83 175.93 3i1z h GLU 14 N 0.09 -0.55 -0.98 4.77 4.22 0.05 0.01 114.58 122.18 3i1z h GLU 14 Ca 0.02 0.04 0.23 0.00 0.08 0.00 0.00 59.36 59.72 3i1z h GLU 14 Cb 0.38 0.13 -0.18 0.00 0.50 0.00 0.00 28.75 29.57 3i1z h GLU 14 CO 0.03 -0.31 -0.13 1.17 -2.18 0.00 0.00 179.01 177.59 3i1z n LYS 15 N -5.16 -0.08 0.20 1.92 0.00 -0.23 -0.04 118.16 114.76 3i1z n LYS 15 Ca -0.08 1.50 -0.15 0.00 0.00 0.00 0.00 58.31 59.58 3i1z n LYS 15 Cb 0.26 -2.30 -0.07 0.00 0.00 0.00 0.00 35.03 32.92 3i1z n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1z h ALA 16 N 1.95 -0.64 -0.98 3.14 0.00 -1.41 -0.14 119.26 121.19 3i1z h ALA 16 Ca 0.52 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.47 3i1z h ALA 16 Cb 0.93 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 3i1z h ALA 16 CO -0.97 -0.89 -0.44 -2.13 0.00 0.00 0.00 179.25 174.82 3i1z n ARG 17 N -5.42 -0.29 0.07 0.00 0.00 0.94 -0.21 116.66 111.75 3i1z n ARG 17 Ca -0.09 1.50 -0.11 0.00 -0.00 0.00 0.00 57.85 59.14 3i1z n ARG 17 Cb 0.32 -2.21 -0.05 0.00 0.00 0.00 0.00 32.46 30.52 3i1z n ARG 17 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3i1z h LYS 18 N 0.00 -0.27 -0.33 -0.14 1.57 -0.90 0.11 116.57 116.60 3i1z h LYS 18 Ca 0.28 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 3i1z h LYS 18 Cb 0.53 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 3i1z h LYS 18 CO -0.95 -0.18 -0.48 1.25 -0.57 0.00 0.00 179.45 178.52 3i1z h HIS 19 N -0.28 -1.41 -0.57 -1.35 2.76 0.11 -1.76 115.15 112.64 3i1z h HIS 19 Ca 0.04 0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 3i1z h HIS 19 Cb 0.34 0.66 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 3i1z h HIS 19 CO -0.20 -0.48 0.21 -0.91 -1.30 0.00 0.00 177.93 175.25 3i1z h ASN 20 N -0.41 0.81 -0.20 3.26 -0.26 -0.30 -3.10 115.58 115.38 3i1z h ASN 20 Ca 0.10 -0.19 0.05 0.00 -0.56 0.00 0.00 56.30 55.70 3i1z h ASN 20 Cb 0.61 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.61 3i1z h ASN 20 CO -0.54 0.78 -0.10 0.00 -1.06 0.00 0.00 177.43 176.51 3i1z h ALA 21 N 1.06 0.06 0.57 -0.83 0.00 -0.27 0.23 119.26 120.08 3i1z h ALA 21 Ca 0.19 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3i1z h ALA 21 Cb 0.24 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3i1z h ALA 21 CO -0.01 -0.53 -0.27 0.66 0.00 0.00 0.00 179.25 179.09 3i1z h SER 22 N -0.09 -0.65 -0.09 0.00 4.64 -1.31 0.17 113.55 116.23 3i1z h SER 22 Ca 0.11 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.46 3i1z h SER 22 Cb 0.25 0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 3i1z h SER 22 CO -0.25 -0.42 -0.16 0.03 -0.87 0.00 0.00 176.83 175.16 3i1z h ARG 23 N -0.83 -0.21 -1.05 4.77 2.47 -1.53 -1.69 114.38 116.31 3i1z h ARG 23 Ca -0.08 0.01 0.27 0.00 -1.26 0.00 0.00 59.98 58.93 3i1z h ARG 23 Cb 0.61 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 28.87 3i1z h ARG 23 CO 0.13 -0.14 0.65 -0.09 0.56 0.00 0.00 179.97 181.08 3i1z h ARG 24 N -0.22 0.42 0.46 0.04 2.43 -0.22 0.34 114.38 117.63 3i1z h ARG 24 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3i1z h ARG 24 Cb 0.33 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3i1z h ARG 24 CO -0.22 0.28 -0.22 1.03 -1.51 0.00 0.00 179.97 179.33 3i1z h SER 25 N 0.43 -0.52 -0.69 -3.80 0.87 0.01 -1.31 113.55 108.53 3i1z h SER 25 Ca 0.64 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 61.26 3i1z h SER 25 Cb 1.50 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 63.55 3i1z h SER 25 CO -0.38 -0.33 0.41 0.00 -0.53 0.00 0.00 176.83 176.00 3i1z h MET 26 N -0.71 0.76 -0.77 2.24 -0.00 -1.37 0.81 114.93 115.88 3i1z h MET 26 Ca -0.06 -0.05 0.08 0.00 -0.00 0.00 0.00 59.70 59.67 3i1z h MET 26 Cb 0.47 -0.17 -0.10 0.00 -0.00 0.00 0.00 31.60 31.81 3i1z h MET 26 CO 0.10 0.50 -0.43 -0.12 -0.00 0.00 0.00 176.91 176.97 3i1z n MET 27 N -4.72 -0.31 0.11 -0.10 0.00 0.11 -0.24 117.12 111.98 3i1z n MET 27 Ca 0.08 1.17 -0.19 0.00 0.00 0.00 0.00 57.70 58.75 3i1z n MET 27 Cb 0.13 -1.72 -0.15 0.00 0.00 0.00 0.00 33.22 31.49 3i1z n MET 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 3i1z h ARG 28 N 0.00 0.36 -0.69 2.12 0.11 0.28 -3.25 114.38 113.32 3i1z h ARG 28 Ca 0.15 -0.62 0.06 0.00 0.10 0.00 0.00 59.98 59.67 3i1z h ARG 28 Cb 0.34 0.23 -0.04 0.00 1.11 0.00 0.00 29.97 31.61 3i1z h ARG 28 CO -0.73 1.28 0.45 1.79 0.10 0.00 0.00 179.97 182.87 3i1z h THR 29 N 0.10 1.02 -0.33 0.08 1.35 0.10 -1.09 112.91 114.15 3i1z h THR 29 Ca -0.20 -0.25 0.03 0.00 -0.55 0.00 0.00 66.41 65.44 3i1z h THR 29 Cb 2.05 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 3i1z h THR 29 CO 0.22 0.13 0.14 -0.26 -0.25 0.00 0.00 175.52 175.50 3i1z h PHE 30 N 0.72 0.26 -0.95 4.73 -1.00 -0.65 -1.04 116.94 119.01 3i1z h PHE 30 Ca 0.29 0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.19 3i1z h PHE 30 Cb 0.24 -0.07 -0.08 0.00 3.61 0.00 0.00 35.95 39.66 3i1z h PHE 30 CO -0.00 0.13 0.59 0.82 -1.61 0.00 0.00 178.31 178.24 3i1z h ILE 31 N 0.30 0.94 -0.95 -0.55 2.04 -1.28 0.98 117.51 118.99 3i1z h ILE 31 Ca 0.14 -0.33 0.21 0.00 1.00 0.00 0.00 64.86 65.88 3i1z h ILE 31 Cb 0.08 -0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 35.98 3i1z h ILE 31 CO -0.12 0.18 0.62 0.11 0.00 0.00 0.00 178.15 178.93 3i1z h LYS 32 N 0.97 0.46 -0.91 2.37 1.79 -0.11 0.79 116.57 121.93 3i1z h LYS 32 Ca 0.46 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.96 3i1z h LYS 32 Cb 0.40 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 3i1z h LYS 32 CO -0.25 0.30 0.59 0.87 -1.08 0.00 0.00 179.45 179.89 3i1z h LYS 33 N 0.47 1.02 0.34 3.15 1.79 -0.37 0.44 116.57 123.41 3i1z h LYS 33 Ca 0.51 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.90 3i1z h LYS 33 Cb 1.18 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3i1z h LYS 33 CO -0.23 0.67 -0.17 0.28 -1.08 0.00 0.00 179.45 178.93 3i1z h VAL 34 N 1.05 0.25 -0.98 0.50 2.07 -0.87 -1.79 116.25 116.47 3i1z h VAL 34 Ca 0.39 -0.73 0.26 0.00 0.82 0.00 0.00 66.70 67.44 3i1z h VAL 34 Cb 0.18 0.41 -0.18 0.00 -1.52 0.00 0.00 31.29 30.18 3i1z h VAL 34 CO -0.15 0.06 -0.02 0.22 0.02 0.00 0.00 177.57 177.71 3i1z h TYR 35 N -1.06 -0.13 -0.19 1.57 3.20 -1.24 0.72 116.97 119.83 3i1z h TYR 35 Ca -0.05 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3i1z h TYR 35 Cb 0.45 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3i1z h TYR 35 CO 0.02 -0.43 -0.08 0.00 -1.64 0.00 0.00 178.16 176.04 3i1z h ALA 36 N 1.98 0.09 -0.61 1.82 0.00 -0.01 0.13 119.26 122.66 3i1z h ALA 36 Ca 0.57 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 3i1z h ALA 36 Cb 1.13 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3i1z h ALA 36 CO -0.93 -0.50 0.34 0.00 0.00 0.00 0.00 179.25 178.16 3i1z h ALA 37 N 1.13 0.78 -0.06 0.00 0.00 -0.03 -1.57 119.26 119.52 3i1z h ALA 37 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3i1z h ALA 37 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i1z h ALA 37 CO -0.23 0.29 0.01 0.82 0.00 0.00 0.00 179.25 180.14 3i1z h ILE 38 N 0.83 1.22 -0.97 0.00 1.08 -0.57 -0.12 117.51 118.98 3i1z h ILE 38 Ca 0.22 -0.67 0.16 0.00 -0.39 0.00 0.00 64.86 64.18 3i1z h ILE 38 Cb 0.03 1.56 -0.09 0.00 -3.07 0.00 0.00 36.82 35.25 3i1z h ILE 38 CO -0.04 0.18 0.61 -0.08 -0.69 0.00 0.00 178.15 178.14 3i1z h GLU 39 N -0.16 0.76 0.00 2.37 4.81 -0.67 -3.13 114.58 118.56 3i1z h GLU 39 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3i1z h GLU 39 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3i1z h GLU 39 CO 0.00 0.50 0.00 0.00 -0.73 0.00 0.00 179.01 178.78 3i1z n ALA 40 N -2.38 0.00 0.00 2.92 0.00 -0.60 -5.02 120.51 115.43 3i1z n ALA 40 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3i1z n ALA 40 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i1z n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1z n GLY 41 N 0.32 0.05 3.56 0.00 0.00 -0.12 -5.10 105.19 103.90 3i1z n GLY 41 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1z n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1z s ASP 42 N 0.00 6.23 0.16 1.61 -0.00 -1.23 -4.89 116.67 118.56 3i1z s ASP 42 Ca 0.00 -0.26 -0.17 0.00 -0.00 0.00 0.00 52.55 52.12 3i1z s ASP 42 Cb 0.00 -2.56 0.08 0.00 -0.00 0.00 0.00 42.92 40.45 3i1z s ASP 42 CO 0.00 -1.74 1.69 0.07 -0.00 0.00 0.00 175.17 175.19 3i1z h LYS 43 N 9.96 0.06 -0.63 8.23 2.10 -1.88 -1.68 116.57 132.73 3i1z h LYS 43 Ca -0.27 -0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.49 3i1z h LYS 43 Cb 1.05 -0.01 -0.12 0.00 -0.90 0.00 0.00 32.23 32.25 3i1z h LYS 43 CO 1.25 0.04 -0.34 0.00 -2.00 0.00 0.00 179.45 178.41 3i1z h ALA 44 N 1.34 -0.01 0.00 0.07 0.00 -1.90 0.14 119.26 118.90 3i1z h ALA 44 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3i1z h ALA 44 Cb 0.26 0.80 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i1z h ALA 44 CO -0.33 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 178.26 3i1z h ALA 45 N 1.05 1.00 0.11 0.00 0.00 -1.92 -3.00 119.26 116.50 3i1z h ALA 45 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 3i1z h ALA 45 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i1z h ALA 45 CO -0.71 0.00 -1.25 0.00 0.00 0.00 0.00 179.25 177.29 3i1z h ALA 46 N 2.01 0.14 0.00 0.00 0.00 0.22 -2.25 119.26 119.38 3i1z h ALA 46 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 54.91 53.92 3i1z h ALA 46 Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3i1z h ALA 46 CO 0.00 1.02 -0.53 1.96 0.00 0.00 0.00 179.25 181.70 3i1z h GLN 47 N 0.07 0.00 0.77 0.00 1.08 -1.48 -1.97 115.11 113.58 3i1z h GLN 47 Ca -0.13 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 3i1z h GLN 47 Cb 1.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.39 3i1z h GLN 47 CO 0.19 0.29 -0.43 -0.22 -0.95 0.00 0.00 178.83 177.71 3i1z h LYS 48 N 0.00 -1.07 -0.05 1.46 3.11 -1.47 -2.78 116.57 115.78 3i1z h LYS 48 Ca -0.02 0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 3i1z h LYS 48 Cb 1.27 0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 32.74 3i1z h LYS 48 CO 0.04 -0.72 0.01 0.00 -2.81 0.00 0.00 179.45 175.98 3i1z h ALA 49 N -0.94 0.06 -1.35 5.00 0.00 -1.45 -2.29 119.26 118.29 3i1z h ALA 49 Ca -0.10 -0.11 0.39 0.00 0.00 0.00 0.00 54.91 55.10 3i1z h ALA 49 Cb 0.88 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3i1z h ALA 49 CO 0.13 -0.34 0.95 0.35 0.00 0.00 0.00 179.25 180.34 3i1z h PHE 50 N -0.12 0.17 0.02 0.00 3.04 -1.43 0.52 116.94 119.15 3i1z h PHE 50 Ca 0.01 0.01 -0.27 0.00 3.98 0.00 0.00 57.97 61.70 3i1z h PHE 50 Cb 0.20 -0.05 0.02 0.00 2.56 0.00 0.00 35.95 38.69 3i1z h PHE 50 CO -0.01 -0.02 -1.08 -0.91 -2.02 0.00 0.00 178.31 174.27 3i1z h ASN 51 N 0.07 0.88 -0.93 0.41 2.35 -1.12 -1.75 115.58 115.49 3i1z h ASN 51 Ca 0.68 -0.73 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3i1z h ASN 51 Cb 2.51 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 40.56 3i1z h ASN 51 CO -0.11 1.53 0.61 -0.08 -1.65 0.00 0.00 177.43 177.74 3i1z h GLU 52 N 0.36 1.17 0.00 0.81 4.81 0.24 -2.88 114.58 119.10 3i1z h GLU 52 Ca -0.14 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 58.89 3i1z h GLU 52 Cb 1.74 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 3i1z h GLU 52 CO 0.21 0.78 -0.62 0.00 -0.73 0.00 0.00 179.01 178.65 3i1z h MET 53 N 1.21 0.00 -0.46 1.92 -0.00 -1.22 -3.35 114.93 113.03 3i1z h MET 53 Ca 0.36 0.00 0.09 0.00 -0.00 0.00 0.00 59.70 60.16 3i1z h MET 53 Cb -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 31.45 3i1z h MET 53 CO -0.10 0.62 -0.22 0.37 -0.00 0.00 0.00 176.91 177.57 3i1z h GLN 54 N 0.00 -0.12 -0.10 -0.10 4.15 -1.08 -0.39 115.11 117.47 3i1z h GLN 54 Ca -0.01 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3i1z h GLN 54 Cb 1.47 0.03 0.01 0.00 0.21 0.00 0.00 27.48 29.20 3i1z h GLN 54 CO 0.08 -0.08 -0.45 -1.00 -1.93 0.00 0.00 178.83 175.45 3i1z h PRO 55 N -0.13 0.48 -0.57 -2.39 0.13 -1.72 -2.91 132.00 124.90 3i1z h PRO 55 Ca 0.22 -0.38 0.13 0.00 -0.87 0.00 0.00 66.00 65.09 3i1z h PRO 55 Cb 0.46 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 3i1z h PRO 55 CO -0.54 1.01 0.39 0.97 -0.23 0.00 0.00 178.00 179.61 3i1z h ILE 56 N 0.06 0.81 0.03 -3.56 6.09 -1.54 0.22 117.51 119.62 3i1z h ILE 56 Ca -0.03 -0.07 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 3i1z h ILE 56 Cb 1.09 0.58 0.00 0.00 0.47 0.00 0.00 36.82 38.96 3i1z h ILE 56 CO 0.09 0.04 -0.01 0.58 -3.07 0.00 0.00 178.15 175.78 3i1z h VAL 57 N 0.21 0.71 -0.51 2.19 2.07 -1.11 -2.92 116.25 116.91 3i1z h VAL 57 Ca 0.27 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.40 3i1z h VAL 57 Cb 0.78 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3i1z h VAL 57 CO -0.05 0.23 0.34 0.44 0.02 0.00 0.00 177.57 178.56 3i1z h ASP 58 N -0.99 0.32 -0.46 0.57 3.32 -1.29 -0.61 116.42 117.27 3i1z h ASP 58 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3i1z h ASP 58 Cb 0.42 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3i1z h ASP 58 CO 0.01 0.20 -0.18 -0.09 -1.72 0.00 0.00 179.24 177.46 3i1z h ARG 59 N 0.36 0.97 0.00 3.56 2.43 -0.67 -2.07 114.38 118.95 3i1z h ARG 59 Ca 0.23 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3i1z h ARG 59 Cb 0.43 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3i1z h ARG 59 CO -0.06 1.06 0.00 1.04 -1.51 0.00 0.00 179.97 180.50 3i1z n GLN 60 N -4.12 0.64 -0.06 0.20 1.13 -0.30 -1.17 117.38 113.70 3i1z n GLN 60 Ca 0.01 0.02 -0.17 0.00 -1.94 0.00 0.00 57.00 54.91 3i1z n GLN 60 Cb 0.44 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.16 3i1z n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i1z h ALA 61 N 3.45 0.07 0.43 -1.58 0.00 -0.71 -2.08 119.26 118.84 3i1z h ALA 61 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 3i1z h ALA 61 Cb 0.09 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3i1z h ALA 61 CO 0.00 0.30 -0.44 0.00 0.00 0.00 0.00 179.25 179.11 3i1z h ALA 62 N -0.12 -0.97 -0.86 0.00 0.00 -1.28 -0.19 119.26 115.85 3i1z h ALA 62 Ca -0.13 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 54.83 3i1z h ALA 62 Cb 1.23 0.64 -0.16 0.00 0.00 0.00 0.00 17.79 19.50 3i1z h ALA 62 CO -0.03 -1.09 -0.08 1.63 0.00 0.00 0.00 179.25 179.69 3i1z n LYS 63 N -5.52 -0.07 -1.39 0.00 4.76 -0.32 -4.84 118.16 110.78 3i1z n LYS 63 Ca -0.11 1.31 0.00 0.00 -2.87 0.00 0.00 58.31 56.64 3i1z n LYS 63 Cb 0.42 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 3i1z n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1z n GLY 64 N -1.48 0.99 0.00 0.72 0.00 -0.08 -4.98 105.19 100.37 3i1z n GLY 64 Ca 0.18 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3i1z n GLY 64 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1z n LEU 65 N -0.22 0.05 -0.07 0.99 -0.00 -0.96 -4.52 117.00 112.27 3i1z n LEU 65 Ca 0.00 -0.11 -0.11 0.00 -0.00 0.00 0.00 56.01 55.80 3i1z n LEU 65 Cb 0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.56 3i1z n LEU 65 CO 0.00 0.01 -0.94 0.00 -0.00 0.00 0.00 177.39 176.46 3i1z n ILE 66 N -1.55 1.49 -2.07 1.47 0.13 -0.89 -5.06 119.36 112.88 3i1z n ILE 66 Ca -0.00 -0.80 0.00 0.00 -1.10 0.00 0.00 62.75 60.84 3i1z n ILE 66 Cb 0.11 -0.81 0.00 0.00 -0.84 0.00 0.00 39.64 38.10 3i1z n ILE 66 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 3i1z n HIS 67 N -2.93 -1.94 0.00 9.51 -0.00 -1.24 -4.32 115.22 114.29 3i1z n HIS 67 Ca -0.29 1.16 0.00 0.00 0.46 0.00 0.00 57.72 59.05 3i1z n HIS 67 Cb 1.10 -2.06 0.00 0.00 -0.12 0.00 0.00 29.99 28.91 3i1z n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i1z n LYS 68 N 1.90 0.00 -0.16 1.57 5.02 -1.26 -3.33 118.16 121.89 3i1z n LYS 68 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 3i1z n LYS 68 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.24 3i1z n LYS 68 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3i1z n ASN 69 N 10.11 3.21 -0.10 4.39 6.94 -1.26 -3.55 115.26 135.00 3i1z n ASN 69 Ca 0.00 -1.96 -0.03 0.00 -0.02 0.00 0.00 54.58 52.57 3i1z n ASN 69 Cb 0.00 -0.21 0.21 0.00 -2.36 0.00 0.00 39.78 37.42 3i1z n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3i1z h LYS 70 N 4.23 0.75 -0.62 -3.83 3.64 -1.74 0.31 116.57 119.31 3i1z h LYS 70 Ca 0.00 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3i1z h LYS 70 Cb 0.93 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 3i1z h LYS 70 CO 0.00 0.71 0.19 0.00 -2.27 0.00 0.00 179.45 178.09 3i1z h ALA 71 N 1.36 0.81 0.14 5.00 0.00 -1.81 -3.21 119.26 121.56 3i1z h ALA 71 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i1z h ALA 71 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i1z h ALA 71 CO 0.01 0.48 -0.13 0.00 0.00 0.00 0.00 179.25 179.61 3i1z h ALA 72 N 1.07 -0.26 -0.86 0.00 0.00 -1.22 -1.15 119.26 116.84 3i1z h ALA 72 Ca 0.20 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.30 3i1z h ALA 72 Cb 0.29 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3i1z h ALA 72 CO -0.01 -0.67 0.60 0.00 0.00 0.00 0.00 179.25 179.18 3i1z h ARG 73 N -0.29 0.12 0.00 0.00 3.08 -0.50 -2.38 114.38 114.41 3i1z h ARG 73 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i1z h ARG 73 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3i1z h ARG 73 CO -0.03 0.08 0.00 0.72 -1.07 0.00 0.00 179.97 179.67 3i1z n HIS 74 N -4.36 0.00 -0.33 3.04 8.25 -0.47 0.28 115.22 121.64 3i1z n HIS 74 Ca 0.18 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.73 3i1z n HIS 74 Cb 0.84 -0.26 0.20 0.00 1.12 0.00 0.00 29.99 31.89 3i1z n HIS 74 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3i1z n LYS 75 N -1.27 -0.08 0.00 -0.41 2.85 -1.02 -0.71 118.16 117.52 3i1z n LYS 75 Ca 0.00 1.41 0.00 0.00 -1.05 0.00 0.00 58.31 58.67 3i1z n LYS 75 Cb 0.00 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.21 3i1z n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1z n ALA 76 N -3.43 -0.26 0.27 0.58 0.00 -0.89 -2.07 120.51 114.71 3i1z n ALA 76 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 3i1z n ALA 76 Cb 0.58 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.40 3i1z n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i1z n ASN 77 N -1.29 0.34 0.01 0.00 2.04 0.14 -1.73 115.26 114.77 3i1z n ASN 77 Ca 0.00 0.62 -0.20 0.00 -0.44 0.00 0.00 54.58 54.56 3i1z n ASN 77 Cb 0.00 -0.68 -0.14 0.00 -2.53 0.00 0.00 39.78 36.43 3i1z n ASN 77 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 3i1z h LEU 78 N 0.00 0.35 -0.68 -4.53 3.38 -0.99 -3.31 115.31 109.52 3i1z h LEU 78 Ca 0.00 -0.88 0.12 0.00 0.09 0.00 0.00 57.88 57.21 3i1z h LEU 78 Cb 0.16 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 3i1z h LEU 78 CO 0.00 1.46 -0.30 0.74 0.09 0.00 0.00 178.44 180.44 3i1z h THR 79 N -0.45 0.18 -0.46 0.22 2.02 -0.75 -2.46 112.91 111.20 3i1z h THR 79 Ca -0.22 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.10 3i1z h THR 79 Cb 1.61 0.18 -0.09 0.00 -1.74 0.00 0.00 68.15 68.11 3i1z h THR 79 CO 0.07 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.98 3i1z n ALA 80 N -3.21 0.25 -0.09 6.16 0.00 -0.92 -1.40 120.51 121.31 3i1z n ALA 80 Ca 0.07 0.50 -0.22 0.00 0.00 0.00 0.00 53.44 53.79 3i1z n ALA 80 Cb 0.37 -0.37 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3i1z n ALA 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i1z n GLN 81 N -4.49 0.66 0.17 0.00 6.02 -0.95 -1.93 117.38 116.86 3i1z n GLN 81 Ca 0.11 0.25 0.14 0.00 -0.01 0.00 0.00 57.00 57.49 3i1z n GLN 81 Cb 0.37 -1.59 0.44 0.00 1.02 0.00 0.00 30.24 30.48 3i1z n GLN 81 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 3i1z h ILE 82 N -0.27 0.06 0.00 5.09 -0.00 -1.01 0.37 117.51 121.76 3i1z h ILE 82 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.33 3i1z h ILE 82 Cb 1.82 0.29 0.00 0.00 -0.00 0.00 0.00 36.82 38.93 3i1z h ILE 82 CO -0.11 0.00 0.00 -0.46 -0.00 0.00 0.00 178.15 177.58 3i1z n ASN 83 N -2.97 0.60 -0.28 2.16 0.23 -1.09 -3.65 115.26 110.27 3i1z n ASN 83 Ca 0.06 -1.15 -0.06 0.00 -0.53 0.00 0.00 54.58 52.90 3i1z n ASN 83 Cb 0.89 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.64 3i1z n ASN 83 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3i1z h LYS 84 N 0.00 1.17 0.00 -3.83 3.11 0.44 -3.34 116.57 114.11 3i1z h LYS 84 Ca 0.00 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 3i1z h LYS 84 Cb 0.43 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 3i1z h LYS 84 CO 0.00 0.98 -0.33 -0.11 -2.81 0.00 0.00 179.45 177.18 3i1z n LEU 85 N -4.26 0.00 -0.90 5.20 7.94 -1.13 -5.05 117.00 118.79 3i1z n LEU 85 Ca 0.06 -0.16 0.11 0.00 -1.11 0.00 0.00 56.01 54.91 3i1z n LEU 85 Cb 0.22 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.26 3i1z n LEU 85 CO 0.42 0.00 0.61 0.00 -1.11 0.00 0.00 177.39 177.30