#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3clc s SER 3 N 0.00 5.70 0.10 1.62 0.15 -1.26 -5.02 113.70 114.99 3clc s SER 3 Ca 0.00 0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.59 3clc s SER 3 Cb 0.00 -1.83 -0.11 0.00 -1.71 0.00 0.00 66.02 62.37 3clc s SER 3 CO 0.00 0.30 1.67 0.15 1.20 0.00 0.00 173.24 176.56 3clc h PHE 4 N 5.73 -0.50 -0.16 3.44 3.57 -2.04 -1.63 116.94 125.35 3clc h PHE 4 Ca -0.46 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.08 3clc h PHE 4 Cb 1.19 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 3clc h PHE 4 CO 0.64 -0.28 -0.05 1.25 -2.23 0.00 0.00 178.31 177.63 3clc h LEU 5 N -0.39 -0.19 -1.77 0.59 6.46 -2.00 -2.11 115.31 115.91 3clc h LEU 5 Ca 0.01 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.92 3clc h LEU 5 Cb 0.39 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 3clc h LEU 5 CO -0.07 -0.07 0.33 0.25 -0.62 0.00 0.00 178.44 178.26 3clc h LEU 6 N -0.02 0.24 0.00 2.25 6.46 -1.93 -0.74 115.31 121.57 3clc h LEU 6 Ca 0.08 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 3clc h LEU 6 Cb 0.15 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3clc h LEU 6 CO -0.18 0.15 -0.58 0.77 -0.62 0.00 0.00 178.44 177.98 3clc h SER 7 N 0.27 0.00 0.62 1.25 4.64 -0.69 -2.71 113.55 116.94 3clc h SER 7 Ca 0.23 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.27 3clc h SER 7 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3clc h SER 7 CO -0.05 0.38 -1.30 0.11 -0.87 0.00 0.00 176.83 175.11 3clc h LYS 8 N 0.00 0.23 0.05 4.77 1.79 -0.62 -2.15 116.57 120.64 3clc h LYS 8 Ca -0.03 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3clc h LYS 8 Cb 1.31 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 32.11 3clc h LYS 8 CO 0.05 1.16 -0.06 0.28 -1.08 0.00 0.00 179.45 179.79 3clc h VAL 9 N 0.06 0.85 -0.32 0.50 2.07 -1.15 0.63 116.25 118.89 3clc h VAL 9 Ca -0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3clc h VAL 9 Cb 1.96 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3clc h VAL 9 CO 0.18 0.00 0.19 0.77 0.02 0.00 0.00 177.57 178.73 3clc h SER 10 N -0.14 0.39 -0.59 0.57 4.64 -1.56 -0.14 113.55 116.73 3clc h SER 10 Ca 0.01 -0.06 0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3clc h SER 10 Cb 0.14 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 62.05 3clc h SER 10 CO -0.03 0.34 0.15 0.15 -0.87 0.00 0.00 176.83 176.56 3clc h PHE 11 N 0.40 0.24 0.33 4.77 3.57 -1.00 -0.85 116.94 124.40 3clc h PHE 11 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3clc h PHE 11 Cb 0.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3clc h PHE 11 CO -0.04 0.00 -0.16 0.28 -2.23 0.00 0.00 178.31 176.16 3clc h VAL 12 N 0.29 0.68 -0.56 1.41 2.07 -0.28 0.12 116.25 119.99 3clc h VAL 12 Ca 0.30 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.91 3clc h VAL 12 Cb 0.43 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 3clc h VAL 12 CO -0.37 0.01 -0.24 0.40 0.02 0.00 0.00 177.57 177.39 3clc h ILE 13 N -0.46 0.29 -0.72 4.57 2.04 -0.52 0.38 117.51 123.10 3clc h ILE 13 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3clc h ILE 13 Cb 0.35 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 3clc h ILE 13 CO 0.07 0.00 0.43 0.50 0.00 0.00 0.00 178.15 179.15 3clc h LYS 14 N -0.10 0.78 -0.20 2.37 3.64 -0.91 -0.88 116.57 121.27 3clc h LYS 14 Ca 0.25 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3clc h LYS 14 Cb 0.50 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3clc h LYS 14 CO -0.62 0.51 0.12 -0.22 -2.27 0.00 0.00 179.45 176.97 3clc h LYS 15 N 0.80 0.27 -0.43 1.90 3.64 0.21 -0.63 116.57 122.33 3clc h LYS 15 Ca 0.31 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 3clc h LYS 15 Cb 0.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3clc h LYS 15 CO -0.16 0.21 0.01 0.82 -2.27 0.00 0.00 179.45 178.07 3clc h ILE 16 N 0.25 1.26 -0.98 2.00 2.04 0.05 -0.43 117.51 121.70 3clc h ILE 16 Ca 0.07 -1.01 0.10 0.00 1.00 0.00 0.00 64.86 65.03 3clc h ILE 16 Cb 0.01 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 3clc h ILE 16 CO -0.01 0.34 0.62 -0.09 0.00 0.00 0.00 178.15 179.01 3clc h ARG 17 N 0.59 0.98 -0.05 2.37 2.43 -0.92 -1.76 114.38 118.02 3clc h ARG 17 Ca 0.12 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.09 3clc h ARG 17 Cb 0.47 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3clc h ARG 17 CO 0.02 0.65 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.53 3clc h LEU 18 N 1.01 0.55 -2.26 3.80 3.38 -0.47 -0.96 115.31 120.36 3clc h LEU 18 Ca 0.46 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3clc h LEU 18 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3clc h LEU 18 CO -0.22 1.17 0.22 -0.33 0.09 0.00 0.00 178.44 179.37 3clc h GLU 19 N -0.02 0.00 -0.45 1.13 5.08 -0.78 0.14 114.58 119.67 3clc h GLU 19 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3clc h GLU 19 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3clc h GLU 19 CO 0.11 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.75 3clc n LYS 20 N -3.57 2.30 -2.42 2.33 5.02 -0.69 -4.94 118.16 116.19 3clc n LYS 20 Ca 0.01 -2.00 -0.08 0.00 -2.02 0.00 0.00 58.31 54.22 3clc n LYS 20 Cb 0.33 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3clc n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3clc n GLY 21 N 1.41 -0.46 3.75 0.72 0.00 0.48 -4.95 105.19 106.14 3clc n GLY 21 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3clc n GLY 21 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3clc s MET 22 N -4.95 4.45 0.78 1.61 -1.94 -0.41 -5.02 119.30 113.82 3clc s MET 22 Ca 0.00 0.98 -0.11 0.00 -1.71 0.00 0.00 55.69 54.85 3clc s MET 22 Cb 0.00 -3.35 0.06 0.00 2.01 0.00 0.00 34.83 33.55 3clc s MET 22 CO 0.00 0.32 1.09 0.95 -0.01 0.00 0.00 175.02 177.37 3clc s THR 23 N -0.16 3.32 0.17 2.05 -4.23 -1.26 -4.59 115.64 110.94 3clc s THR 23 Ca 0.36 0.43 -0.14 0.00 -1.18 0.00 0.00 61.69 61.16 3clc s THR 23 Cb -0.20 -2.96 0.08 0.00 1.34 0.00 0.00 72.50 70.75 3clc s THR 23 CO 0.22 -0.56 1.72 1.56 -0.54 0.00 0.00 174.62 177.02 3clc h GLN 24 N -1.13 0.22 -0.34 3.99 4.20 -1.98 -0.47 115.11 119.60 3clc h GLN 24 Ca -0.45 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.32 3clc h GLN 24 Cb 1.24 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.91 3clc h GLN 24 CO 0.53 0.14 -0.05 1.49 -0.67 0.00 0.00 178.83 180.28 3clc h GLU 25 N 0.22 0.04 -0.57 1.46 4.81 -1.94 0.19 114.58 118.80 3clc h GLU 25 Ca 0.21 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3clc h GLU 25 Cb 0.26 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3clc h GLU 25 CO -0.28 0.03 0.24 -0.44 -0.73 0.00 0.00 179.01 177.83 3clc h ASP 26 N 0.04 0.77 -0.51 1.04 3.32 -1.90 0.16 116.42 119.35 3clc h ASP 26 Ca 0.16 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3clc h ASP 26 Cb 0.24 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3clc h ASP 26 CO -0.32 0.72 0.34 0.25 -1.72 0.00 0.00 179.24 178.50 3clc h LEU 27 N 0.78 0.56 -0.08 1.55 5.85 -0.19 0.70 115.31 124.47 3clc h LEU 27 Ca 0.19 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3clc h LEU 27 Cb 0.17 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3clc h LEU 27 CO -0.02 0.40 -0.26 0.00 -0.34 0.00 0.00 178.44 178.21 3clc h ALA 28 N 1.69 0.14 -0.21 1.25 0.00 0.56 -2.35 119.26 120.34 3clc h ALA 28 Ca 0.19 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3clc h ALA 28 Cb -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3clc h ALA 28 CO -0.04 0.15 -0.13 1.88 0.00 0.00 0.00 179.25 181.10 3clc h TYR 29 N -0.16 -0.33 -0.27 0.00 0.05 -0.76 -2.20 116.97 113.29 3clc h TYR 29 Ca -0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3clc h TYR 29 Cb 0.89 0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 3clc h TYR 29 CO 0.12 -0.20 0.02 0.87 -1.05 0.00 0.00 178.16 177.93 3clc h LYS 30 N -0.12 0.40 -0.26 4.88 1.57 -0.76 -2.31 116.57 119.98 3clc h LYS 30 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3clc h LYS 30 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3clc h LYS 30 CO -0.29 0.41 0.00 -1.13 -0.57 0.00 0.00 179.45 177.87 3clc n SER 31 N -4.34 3.14 -3.89 0.86 3.41 -0.89 -4.61 113.62 107.29 3clc n SER 31 Ca 0.01 -1.93 -0.38 0.00 -0.26 0.00 0.00 58.87 56.30 3clc n SER 31 Cb 0.20 -0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3clc n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3clc n ASN 32 N 1.29 -4.71 -1.21 4.04 3.02 -0.87 -4.85 115.26 111.98 3clc n ASN 32 Ca 0.16 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 3clc n ASN 32 Cb 0.55 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.43 3clc n ASN 32 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3clc n LEU 33 N -4.41 0.00 -4.64 3.41 4.77 -0.92 -5.07 117.00 110.14 3clc n LEU 33 Ca -0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.51 3clc n LEU 33 Cb 0.59 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 3clc n LEU 33 CO 0.70 0.00 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.87 3clc s ASP 34 N -0.85 5.44 0.27 -1.43 -1.08 -1.26 -4.49 116.67 113.28 3clc s ASP 34 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 3clc s ASP 34 Cb 0.00 -1.82 0.63 0.00 -1.46 0.00 0.00 42.92 40.27 3clc s ASP 34 CO 0.00 0.24 1.69 -0.09 0.52 0.00 0.00 175.17 177.53 3clc h ARG 35 N 6.18 0.33 0.00 4.34 2.43 -1.91 0.66 114.38 126.41 3clc h ARG 35 Ca -0.41 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.69 3clc h ARG 35 Cb 1.18 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3clc h ARG 35 CO 0.64 0.22 -0.26 1.79 -1.51 0.00 0.00 179.97 180.85 3clc h THR 36 N 0.34 0.98 0.79 0.20 1.35 -1.98 0.12 112.91 114.71 3clc h THR 36 Ca 0.51 -0.94 -0.04 0.00 -0.55 0.00 0.00 66.41 65.39 3clc h THR 36 Cb 0.93 1.54 0.01 0.00 -1.73 0.00 0.00 68.15 68.90 3clc h THR 36 CO -0.53 0.25 -0.38 0.22 -0.25 0.00 0.00 175.52 174.82 3clc h TYR 37 N 0.00 -0.99 -0.67 4.73 -0.00 -0.14 -2.09 116.97 117.81 3clc h TYR 37 Ca -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.70 3clc h TYR 37 Cb 0.52 0.33 -0.03 0.00 -0.00 0.00 0.00 36.73 37.54 3clc h TYR 37 CO 0.00 -0.61 0.40 0.82 -0.00 0.00 0.00 178.16 178.78 3clc h ILE 38 N -1.27 1.19 -0.22 1.81 1.08 -0.67 -1.18 117.51 118.26 3clc h ILE 38 Ca -0.11 -0.43 0.06 0.00 -0.39 0.00 0.00 64.86 63.99 3clc h ILE 38 Cb 0.82 0.27 -0.07 0.00 -3.07 0.00 0.00 36.82 34.77 3clc h ILE 38 CO 0.18 0.20 -0.28 -1.28 -0.69 0.00 0.00 178.15 176.28 3clc h SER 39 N 0.91 -0.88 -0.75 1.72 0.87 -0.81 -1.50 113.55 113.12 3clc h SER 39 Ca 0.24 0.15 0.07 0.00 -1.23 0.00 0.00 61.79 61.01 3clc h SER 39 Cb -0.03 0.40 -0.06 0.00 -0.44 0.00 0.00 62.40 62.27 3clc h SER 39 CO -0.05 -0.31 0.43 1.23 -0.53 0.00 0.00 176.83 177.61 3clc h GLY 40 N -0.30 1.12 0.94 5.77 0.00 -0.51 0.50 103.07 110.58 3clc h GLY 40 Ca 0.13 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.18 3clc h GLY 40 CO -0.39 0.18 0.66 -2.22 0.00 0.00 0.00 176.54 174.76 3clc h ILE 41 N 0.78 1.21 0.00 2.60 2.04 -0.96 0.14 117.51 123.31 3clc h ILE 41 Ca 0.34 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3clc h ILE 41 Cb 0.22 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3clc h ILE 41 CO -0.19 0.24 -0.20 -0.33 0.00 0.00 0.00 178.15 177.66 3clc h GLU 42 N 1.30 0.00 -0.93 2.37 5.08 0.12 0.15 114.58 122.67 3clc h GLU 42 Ca 0.38 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.34 3clc h GLU 42 Cb -0.06 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 28.95 3clc h GLU 42 CO -0.11 0.20 0.51 0.54 -1.00 0.00 0.00 179.01 179.16 3clc n ARG 43 N -3.17 2.67 -1.19 2.33 3.00 -0.79 -4.83 116.66 114.68 3clc n ARG 43 Ca 0.03 -2.91 -0.06 0.00 -0.01 0.00 0.00 57.85 54.90 3clc n ARG 43 Cb 0.58 -2.15 -0.03 0.00 0.00 0.00 0.00 32.46 30.87 3clc n ARG 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3clc n ASN 44 N -0.77 -5.84 -0.89 0.55 5.15 0.52 -4.82 115.26 109.17 3clc n ASN 44 Ca 0.52 0.16 0.04 0.00 -0.60 0.00 0.00 54.58 54.70 3clc n ASN 44 Cb 1.54 -3.92 0.16 0.00 -0.53 0.00 0.00 39.78 37.04 3clc n ASN 44 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3clc n SER 45 N -1.11 2.50 -3.99 1.20 3.41 0.45 -4.78 113.62 111.29 3clc n SER 45 Ca -0.06 -2.23 -0.13 0.00 -0.26 0.00 0.00 58.87 56.18 3clc n SER 45 Cb 0.56 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.96 3clc n SER 45 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3clc s ARG 46 N -1.68 0.40 -0.52 4.33 0.52 -1.22 -4.86 118.95 115.91 3clc s ARG 46 Ca 0.23 -0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.95 3clc s ARG 46 Cb 0.15 -0.23 0.14 0.00 0.52 0.00 0.00 34.95 35.53 3clc s ARG 46 CO 0.10 0.05 0.31 1.21 0.02 0.00 0.00 175.30 176.99 3clc s ASN 47 N -0.93 5.11 0.29 0.23 2.47 -1.26 -4.81 114.94 116.04 3clc s ASN 47 Ca -0.06 -2.54 -0.09 0.00 0.42 0.00 0.00 52.86 50.59 3clc s ASN 47 Cb -0.06 -1.81 -0.07 0.00 -1.45 0.00 0.00 41.25 37.86 3clc s ASN 47 CO -0.00 -0.42 0.62 -1.48 -3.72 0.00 0.00 177.10 172.10 3clc s LEU 48 N 0.39 4.05 0.34 3.21 0.05 -1.26 -5.06 118.68 120.40 3clc s LEU 48 Ca 0.14 0.94 -0.24 0.00 0.05 0.00 0.00 54.13 55.01 3clc s LEU 48 Cb -0.22 -3.75 -0.10 0.00 -2.05 0.00 0.00 46.19 40.08 3clc s LEU 48 CO -0.04 -0.19 0.92 0.28 -0.55 0.00 0.00 176.35 176.78 3clc s THR 49 N -2.03 4.28 0.31 5.48 -1.32 -1.26 -4.87 115.64 116.23 3clc s THR 49 Ca 0.48 1.70 0.03 0.00 -1.21 0.00 0.00 61.69 62.70 3clc s THR 49 Cb -0.11 -3.91 0.41 0.00 -1.51 0.00 0.00 72.50 67.38 3clc s THR 49 CO 0.26 0.05 1.55 -0.38 -2.21 0.00 0.00 174.62 173.89 3clc n ILE 50 N 0.32 -0.42 -0.36 5.08 2.08 -1.26 0.97 119.36 125.78 3clc n ILE 50 Ca 0.03 2.16 0.06 0.00 0.56 0.00 0.00 62.75 65.56 3clc n ILE 50 Cb 0.51 -3.19 0.22 0.00 -0.75 0.00 0.00 39.64 36.44 3clc n ILE 50 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3clc h LYS 51 N 0.00 0.97 -0.38 0.38 1.57 -1.99 0.20 116.57 117.32 3clc h LYS 51 Ca 0.62 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 59.19 3clc h LYS 51 Cb 1.32 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3clc h LYS 51 CO -0.92 0.64 -0.34 0.77 -0.57 0.00 0.00 179.45 179.04 3clc h SER 52 N 1.00 0.95 -0.94 0.86 0.02 0.24 -2.21 113.55 113.48 3clc h SER 52 Ca 0.48 -0.46 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 3clc h SER 52 Cb 0.43 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 3clc h SER 52 CO -0.25 1.21 0.60 0.25 -1.14 0.00 0.00 176.83 177.50 3clc h LEU 53 N 0.71 0.90 -0.65 5.07 6.46 -0.32 -0.96 115.31 126.52 3clc h LEU 53 Ca 0.06 0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.71 3clc h LEU 53 Cb 0.93 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 3clc h LEU 53 CO 0.09 0.54 -0.38 -0.08 -0.62 0.00 0.00 178.44 177.98 3clc h GLU 54 N 1.00 0.62 -0.06 1.25 4.81 -0.65 -0.00 114.58 121.56 3clc h GLU 54 Ca 0.43 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3clc h GLU 54 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3clc h GLU 54 CO -0.18 0.91 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.53 3clc h LEU 55 N 0.52 0.12 0.10 1.64 3.38 -0.61 -1.91 115.31 118.54 3clc h LEU 55 Ca 0.05 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3clc h LEU 55 Cb 0.90 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3clc h LEU 55 CO 0.08 0.52 -1.21 0.40 0.09 0.00 0.00 178.44 178.32 3clc h ILE 56 N 0.10 1.51 -0.81 1.22 2.04 -0.40 -2.30 117.51 118.87 3clc h ILE 56 Ca 0.01 -3.04 -0.05 0.00 1.00 0.00 0.00 64.86 62.78 3clc h ILE 56 Cb 0.76 2.90 -0.04 0.00 -0.74 0.00 0.00 36.82 39.71 3clc h ILE 56 CO 0.06 0.89 0.33 0.24 0.00 0.00 0.00 178.15 179.66 3clc h MET 57 N 0.08 1.21 0.00 2.37 2.86 -0.85 0.23 114.93 120.82 3clc h MET 57 Ca -0.12 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 3clc h MET 57 Cb 1.93 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.38 3clc h MET 57 CO 0.20 0.97 -0.34 0.87 1.06 0.00 0.00 176.91 179.67 3clc h LYS 58 N 1.18 0.00 0.12 1.72 6.56 -1.19 0.04 116.57 125.00 3clc h LYS 58 Ca 0.27 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.66 3clc h LYS 58 Cb 0.21 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.89 3clc h LYS 58 CO -0.02 0.34 -0.85 0.78 -2.06 0.00 0.00 179.45 177.64 3clc h GLY 59 N 1.10 0.41 2.00 3.86 0.00 -0.81 -2.81 103.07 106.81 3clc h GLY 59 Ca -0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.37 3clc h GLY 59 CO 0.04 0.84 -0.01 1.41 0.00 0.00 0.00 176.54 178.82 3clc h LEU 60 N -0.24 0.00 -1.13 3.11 3.38 -0.46 -3.44 115.31 116.53 3clc h LEU 60 Ca -0.14 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 3clc h LEU 60 Cb 1.63 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.47 3clc h LEU 60 CO 0.16 0.01 -0.41 -0.62 0.09 0.00 0.00 178.44 177.68 3clc n GLU 61 N -3.39 -4.45 -5.00 1.13 1.02 -0.09 -5.01 120.64 104.85 3clc n GLU 61 Ca -0.03 0.48 -0.28 0.00 -0.02 0.00 0.00 57.16 57.32 3clc n GLU 61 Cb 0.11 -4.46 -0.15 0.00 -0.02 0.00 0.00 31.44 26.91 3clc n GLU 61 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3clc s VAL 62 N -3.19 1.80 0.42 2.62 0.11 -0.68 -5.03 120.40 116.46 3clc s VAL 62 Ca 0.26 -1.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.01 3clc s VAL 62 Cb -0.11 -1.52 -0.08 0.00 -1.53 0.00 0.00 36.38 33.14 3clc s VAL 62 CO 0.42 0.43 1.12 -0.94 -3.33 0.00 0.00 175.10 172.80 3clc s SER 63 N -0.75 6.48 0.29 3.54 1.04 -1.26 -4.52 113.70 118.52 3clc s SER 63 Ca 0.09 2.21 0.04 0.00 0.48 0.00 0.00 55.95 58.77 3clc s SER 63 Cb -0.09 -2.60 0.73 0.00 0.10 0.00 0.00 66.02 64.17 3clc s SER 63 CO 0.00 -0.70 1.69 0.44 0.98 0.00 0.00 173.24 175.66 3clc h ASP 64 N 2.37 0.33 -0.05 7.02 3.32 -1.99 -1.35 116.42 126.07 3clc h ASP 64 Ca -0.49 0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.75 3clc h ASP 64 Cb 1.23 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 3clc h ASP 64 CO 0.62 -0.01 -0.16 0.58 -1.72 0.00 0.00 179.24 178.55 3clc h VAL 65 N 0.40 0.61 0.00 -1.35 2.07 -2.00 -0.83 116.25 115.14 3clc h VAL 65 Ca 0.56 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.04 3clc h VAL 65 Cb 1.07 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3clc h VAL 65 CO -0.53 0.00 -0.20 -0.37 0.02 0.00 0.00 177.57 176.48 3clc h VAL 66 N -0.24 0.58 -0.20 2.57 -1.51 -1.71 -0.77 116.25 114.98 3clc h VAL 66 Ca 0.07 -0.97 -0.03 0.00 -1.23 0.00 0.00 66.70 64.53 3clc h VAL 66 Cb 0.33 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 3clc h VAL 66 CO -0.18 0.20 -0.01 0.15 -1.23 0.00 0.00 177.57 176.49 3clc h PHE 67 N 0.00 0.39 -0.02 5.19 3.57 -0.51 -1.95 116.94 123.62 3clc h PHE 67 Ca -0.00 -0.07 -0.19 0.00 3.53 0.00 0.00 57.97 61.24 3clc h PHE 67 Cb 0.63 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3clc h PHE 67 CO 0.00 0.56 -0.82 0.74 -2.23 0.00 0.00 178.31 176.57 3clc h PHE 68 N 0.10 0.34 -0.65 0.41 0.04 -0.84 -0.13 116.94 116.21 3clc h PHE 68 Ca 0.05 -0.17 0.09 0.00 2.80 0.00 0.00 57.97 60.75 3clc h PHE 68 Cb 0.42 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.45 3clc h PHE 68 CO 0.04 0.95 0.28 0.93 -0.60 0.00 0.00 178.31 179.91 3clc h GLU 69 N 0.14 0.47 -0.38 1.51 5.08 -1.10 0.01 114.58 120.32 3clc h GLU 69 Ca -0.04 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 3clc h GLU 69 Cb 1.42 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3clc h GLU 69 CO 0.13 0.31 -0.34 0.52 -1.00 0.00 0.00 179.01 178.63 3clc h MET 70 N 0.49 0.87 -0.70 2.33 2.86 -0.89 -2.54 114.93 117.35 3clc h MET 70 Ca 0.32 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 3clc h MET 70 Cb 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3clc h MET 70 CO -0.29 1.07 0.22 1.25 1.06 0.00 0.00 176.91 180.23 3clc h LEU 71 N 0.72 1.02 -0.30 1.22 6.46 0.06 -0.18 115.31 124.30 3clc h LEU 71 Ca 0.07 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 3clc h LEU 71 Cb 0.91 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3clc h LEU 71 CO 0.08 0.95 0.12 0.40 -0.62 0.00 0.00 178.44 179.38 3clc h ILE 72 N 1.03 1.18 -0.69 4.05 2.04 -0.95 -0.55 117.51 123.61 3clc h ILE 72 Ca 0.23 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3clc h ILE 72 Cb 0.30 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3clc h ILE 72 CO -0.01 0.19 0.45 0.50 0.00 0.00 0.00 178.15 179.27 3clc h LYS 73 N 0.34 0.86 -0.36 2.37 3.64 -0.95 -2.04 116.57 120.44 3clc h LYS 73 Ca 0.10 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3clc h LYS 73 Cb 0.17 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3clc h LYS 73 CO -0.01 0.57 -0.11 1.49 -2.27 0.00 0.00 179.45 179.12 3clc h GLU 74 N 0.89 0.71 -0.85 1.90 4.57 -0.80 -2.36 114.58 118.63 3clc h GLU 74 Ca 0.27 -0.28 0.12 0.00 -1.18 0.00 0.00 59.36 58.28 3clc h GLU 74 Cb -0.04 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 3clc h GLU 74 CO -0.08 0.88 0.55 0.82 -1.18 0.00 0.00 179.01 180.00 3clc h ILE 75 N 0.50 0.90 0.00 2.32 2.04 -0.64 -2.44 117.51 120.20 3clc h ILE 75 Ca 0.09 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3clc h ILE 75 Cb 0.63 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3clc h ILE 75 CO 0.04 0.13 0.00 0.18 0.00 0.00 0.00 178.15 178.51 3clc n LEU 76 N -4.53 0.00 0.00 1.44 4.77 -0.81 -5.10 117.00 112.76 3clc n LEU 76 Ca 0.15 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3clc n LEU 76 Cb 0.38 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3clc n LEU 76 CO 0.31 -0.01 0.00 1.17 -1.33 0.00 0.00 177.39 177.53