#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agr n SER 52 N 0.00 3.45 -0.01 4.52 2.88 -1.26 -4.89 113.62 118.31 1agr n SER 52 Ca 0.00 1.16 -0.07 0.00 -1.33 0.00 0.00 58.87 58.63 1agr n SER 52 Cb 0.00 -1.54 0.11 0.00 -0.75 0.00 0.00 64.21 62.03 1agr n SER 52 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1agr h GLN 53 N 4.23 0.57 0.00 -1.46 5.75 -1.99 -1.20 115.11 121.02 1agr h GLN 53 Ca -0.47 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 1agr h GLN 53 Cb 1.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.80 1agr h GLN 53 CO 0.75 0.87 0.00 1.49 -2.65 0.00 0.00 178.83 179.29 1agr h GLU 54 N 0.48 0.00 0.07 1.69 4.81 -1.99 -1.05 114.58 118.58 1agr h GLU 54 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1agr h GLU 54 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1agr h GLU 54 CO 0.08 0.00 -0.03 1.49 -0.73 0.00 0.00 179.01 179.81 1agr h GLU 55 N 0.00 -0.09 -1.06 1.92 4.57 -1.74 -3.11 114.58 115.07 1agr h GLU 55 Ca 0.00 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.47 1agr h GLU 55 Cb 0.42 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.92 1agr h GLU 55 CO 0.00 0.22 0.66 0.28 -1.18 0.00 0.00 179.01 178.99 1agr h VAL 56 N -0.99 0.47 -0.51 0.32 2.07 -0.98 0.37 116.25 116.99 1agr h VAL 56 Ca -0.01 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1agr h VAL 56 Cb 0.35 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1agr h VAL 56 CO 0.02 0.07 0.15 0.11 0.02 0.00 0.00 177.57 177.94 1agr h LYS 57 N 0.40 0.81 0.00 1.57 1.57 -1.28 -2.73 116.57 116.91 1agr h LYS 57 Ca 0.64 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 59.24 1agr h LYS 57 Cb 1.56 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.76 1agr h LYS 57 CO -0.38 0.76 -0.02 0.87 -0.57 0.00 0.00 179.45 180.10 1agr h LYS 58 N 0.71 0.00 -0.77 3.15 1.57 -0.20 -1.79 116.57 119.24 1agr h LYS 58 Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1agr h LYS 58 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1agr h LYS 58 CO -0.00 0.02 0.30 -1.49 -0.57 0.00 0.00 179.45 177.71 1agr h TRP 59 N 0.00 1.16 0.00 -1.35 6.55 -1.09 -1.99 115.95 119.24 1agr h TRP 59 Ca -0.00 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.75 1agr h TRP 59 Cb 0.46 -0.35 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1agr h TRP 59 CO 0.00 0.88 0.00 0.00 -1.05 0.00 0.00 178.44 178.27 1agr n ALA 60 N -2.44 2.03 0.83 1.49 0.00 -0.68 -3.21 120.51 118.53 1agr n ALA 60 Ca 0.07 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1agr n ALA 60 Cb 0.19 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 18.52 1agr n ALA 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1agr n GLU 61 N -1.42 0.12 0.00 0.00 2.13 -0.75 -4.92 120.64 115.80 1agr n GLU 61 Ca 0.07 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1agr n GLU 61 Cb 0.22 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.36 1agr n GLU 61 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1agr n SER 62 N -1.73 0.00 0.09 4.31 2.88 -1.20 -5.02 113.62 112.95 1agr n SER 62 Ca 0.05 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.60 1agr n SER 62 Cb 0.38 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.19 1agr n SER 62 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1agr h LEU 63 N 0.00 0.29 0.05 2.46 5.85 -1.92 -2.80 115.31 119.24 1agr h LEU 63 Ca 0.00 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1agr h LEU 63 Cb 0.00 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1agr h LEU 63 CO 0.00 0.44 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.75 1agr h GLU 64 N 0.29 -0.62 -0.20 1.25 5.08 -1.95 -1.56 114.58 116.87 1agr h GLU 64 Ca 0.06 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1agr h GLU 64 Cb 0.40 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1agr h GLU 64 CO 0.02 -0.42 -0.16 -0.91 -1.00 0.00 0.00 179.01 176.54 1agr h ASN 65 N -0.65 -0.52 0.27 1.42 4.21 -1.79 -0.20 115.58 118.32 1agr h ASN 65 Ca 0.03 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1agr h ASN 65 Cb 0.70 0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 38.12 1agr h ASN 65 CO -0.31 -0.20 -0.49 0.25 -1.29 0.00 0.00 177.43 175.39 1agr h LEU 66 N -0.17 -1.41 -0.86 1.61 5.85 -1.17 -1.61 115.31 117.55 1agr h LEU 66 Ca 0.12 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1agr h LEU 66 Cb 0.35 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1agr h LEU 66 CO -0.30 -0.58 -0.17 0.16 -0.34 0.00 0.00 178.44 177.22 1agr h ILE 67 N -0.82 0.36 0.00 4.05 3.07 -1.20 -0.96 117.51 122.01 1agr h ILE 67 Ca -0.02 -1.09 0.00 0.00 1.55 0.00 0.00 64.86 65.30 1agr h ILE 67 Cb 0.78 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1agr h ILE 67 CO -0.19 0.16 0.00 0.78 -1.05 0.00 0.00 178.15 177.85 1agr h ASN 68 N 0.00 0.00 -3.53 2.16 2.35 -0.75 -3.39 115.58 112.42 1agr h ASN 68 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1agr h ASN 68 Cb 0.82 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.07 1agr h ASN 68 CO 0.02 0.00 0.05 -2.28 -1.65 0.00 0.00 177.43 173.57 1agr s HIS 69 N -3.25 3.28 0.41 1.19 2.46 -0.63 -4.96 115.29 113.78 1agr s HIS 69 Ca 0.07 0.72 0.21 0.00 0.47 0.00 0.00 55.06 56.52 1agr s HIS 69 Cb 0.07 -2.76 1.17 0.00 -0.13 0.00 0.00 32.58 30.93 1agr s HIS 69 CO 0.64 -0.28 1.74 1.05 -2.47 0.00 0.00 174.74 175.42 1agr h GLU 70 N 7.92 0.32 0.26 2.88 4.11 -1.82 0.24 114.58 128.48 1agr h GLU 70 Ca -0.29 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.11 1agr h GLU 70 Cb 1.14 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1agr h GLU 70 CO 0.74 0.21 -0.13 0.00 0.07 0.00 0.00 179.01 179.90 1agr h GLY 72 N -0.75 -1.29 -0.83 0.00 0.00 -0.95 0.28 103.07 99.54 1agr h GLY 72 Ca -0.04 0.65 0.39 0.00 0.00 0.00 0.00 47.33 48.33 1agr h GLY 72 CO 0.06 -0.39 0.85 -2.00 0.00 0.00 0.00 176.54 175.06 1agr h LEU 73 N -0.32 0.25 -0.10 3.11 5.85 0.72 0.67 115.31 125.49 1agr h LEU 73 Ca 0.01 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1agr h LEU 73 Cb 0.35 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1agr h LEU 73 CO -0.19 -0.07 -0.01 0.00 -0.34 0.00 0.00 178.44 177.83 1agr h ALA 74 N 1.54 0.13 -0.15 1.25 0.00 -0.66 -1.22 119.26 120.15 1agr h ALA 74 Ca 0.74 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 1agr h ALA 74 Cb 2.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 1agr h ALA 74 CO -0.31 -0.17 0.07 0.00 0.00 0.00 0.00 179.25 178.85 1agr h ALA 75 N 0.72 0.19 -0.28 0.00 0.00 0.21 -2.37 119.26 117.73 1agr h ALA 75 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1agr h ALA 75 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1agr h ALA 75 CO 0.01 -0.26 0.12 0.35 0.00 0.00 0.00 179.25 179.47 1agr h PHE 76 N 0.12 0.22 -0.21 0.00 3.57 -0.85 0.10 116.94 119.89 1agr h PHE 76 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1agr h PHE 76 Cb 0.10 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1agr h PHE 76 CO -0.03 0.12 0.09 -0.22 -2.23 0.00 0.00 178.31 176.04 1agr h LYS 77 N 0.26 0.29 -0.33 1.11 3.64 -1.14 0.11 116.57 120.50 1agr h LYS 77 Ca 0.12 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1agr h LYS 77 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1agr h LYS 77 CO -0.10 0.23 -0.15 0.00 -2.27 0.00 0.00 179.45 177.17 1agr h ALA 78 N 1.81 0.47 0.71 5.00 0.00 -0.50 -2.34 119.26 124.41 1agr h ALA 78 Ca 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1agr h ALA 78 Cb 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1agr h ALA 78 CO -0.01 0.37 -0.34 0.35 0.00 0.00 0.00 179.25 179.62 1agr h PHE 79 N 0.46 -0.88 -0.41 0.00 3.57 -0.15 -3.06 116.94 116.47 1agr h PHE 79 Ca 0.08 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.67 1agr h PHE 79 Cb 0.68 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1agr h PHE 79 CO 0.06 -0.54 0.39 -0.07 -2.23 0.00 0.00 178.31 175.91 1agr h LEU 80 N -0.97 0.00 -0.62 0.59 3.38 -0.76 0.18 115.31 117.10 1agr h LEU 80 Ca -0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1agr h LEU 80 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1agr h LEU 80 CO 0.16 0.00 -0.35 0.50 0.09 0.00 0.00 178.44 178.84 1agr h LYS 81 N 0.00 0.69 -0.21 1.13 3.64 -1.32 0.18 116.57 120.68 1agr h LYS 81 Ca 0.20 -0.33 -0.20 0.00 -1.27 0.00 0.00 60.65 59.05 1agr h LYS 81 Cb 0.97 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1agr h LYS 81 CO -0.00 0.94 -0.65 0.66 -2.27 0.00 0.00 179.45 178.13 1agr h SER 82 N 0.58 0.87 0.00 4.20 4.64 -0.67 -2.31 113.55 120.86 1agr h SER 82 Ca 0.06 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1agr h SER 82 Cb 0.87 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1agr h SER 82 CO 0.08 1.29 0.00 -0.62 -0.87 0.00 0.00 176.83 176.71 1agr n GLU 83 N -3.96 0.93 -3.50 4.77 1.02 -0.74 -4.92 120.64 114.23 1agr n GLU 83 Ca -0.05 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.83 1agr n GLU 83 Cb 0.67 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1agr n GLU 83 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1agr n TYR 84 N -0.66 -1.86 -1.77 -0.32 4.02 -0.35 -4.88 117.16 111.33 1agr n TYR 84 Ca 0.07 0.56 0.06 0.00 -0.01 0.00 0.00 57.90 58.58 1agr n TYR 84 Cb 0.03 -3.19 0.12 0.00 -0.02 0.00 0.00 39.34 36.28 1agr n TYR 84 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1agr n SER 85 N -2.41 1.43 0.27 7.72 3.41 0.47 -4.85 113.62 119.66 1agr n SER 85 Ca -0.00 -2.99 0.10 0.00 -0.26 0.00 0.00 58.87 55.71 1agr n SER 85 Cb 0.54 -0.41 0.71 0.00 -0.26 0.00 0.00 64.21 64.79 1agr n SER 85 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1agr h GLU 86 N 0.66 0.00 0.00 4.33 9.09 -1.85 -1.92 114.58 124.89 1agr h GLU 86 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1agr h GLU 86 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1agr h GLU 86 CO 0.03 0.01 0.10 -0.85 0.05 0.00 0.00 179.01 178.34 1agr n GLU 87 N -4.35 0.06 -0.02 1.06 0.00 -1.26 -0.85 120.64 115.28 1agr n GLU 87 Ca -0.03 0.51 -0.16 0.00 0.00 0.00 0.00 57.16 57.48 1agr n GLU 87 Cb 0.09 -1.79 -0.12 0.00 0.00 0.00 0.00 31.44 29.62 1agr n GLU 87 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1agr h ASN 88 N 0.00 0.23 0.13 -1.84 2.35 -1.69 -2.43 115.58 112.34 1agr h ASN 88 Ca 0.00 -0.86 -0.23 0.00 -0.55 0.00 0.00 56.30 54.67 1agr h ASN 88 Cb 0.20 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1agr h ASN 88 CO 0.00 1.07 -0.88 -0.29 -1.65 0.00 0.00 177.43 175.68 1agr h ILE 89 N -0.57 1.34 -0.34 2.81 6.09 -1.18 -2.62 117.51 123.04 1agr h ILE 89 Ca -0.05 -2.22 0.07 0.00 -1.37 0.00 0.00 64.86 61.29 1agr h ILE 89 Cb 1.14 2.24 -0.06 0.00 0.47 0.00 0.00 36.82 40.61 1agr h ILE 89 CO 0.06 0.68 -0.06 0.44 -3.07 0.00 0.00 178.15 176.20 1agr h ASP 90 N 0.35 -0.26 -0.33 2.19 3.32 -1.37 0.16 116.42 120.48 1agr h ASP 90 Ca -0.07 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1agr h ASP 90 Cb 1.50 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 1agr h ASP 90 CO 0.16 -0.09 0.20 0.15 -1.72 0.00 0.00 179.24 177.95 1agr h PHE 91 N 0.03 0.44 -0.19 4.55 3.57 -1.43 -0.96 116.94 122.94 1agr h PHE 91 Ca 0.16 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 1agr h PHE 91 Cb 0.24 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1agr h PHE 91 CO -0.29 0.30 -0.47 2.35 -2.23 0.00 0.00 178.31 177.97 1agr h TRP 92 N 0.47 0.84 0.49 0.41 7.01 -0.73 -1.76 115.95 122.68 1agr h TRP 92 Ca 0.12 -0.32 -0.02 0.00 2.11 0.00 0.00 58.89 60.78 1agr h TRP 92 Cb -0.01 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1agr h TRP 92 CO 0.00 1.10 -0.30 0.82 -2.79 0.00 0.00 178.44 177.27 1agr h ILE 93 N 0.34 0.38 -0.90 2.65 2.04 -0.54 -1.39 117.51 120.08 1agr h ILE 93 Ca -0.01 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.10 1agr h ILE 93 Cb 1.08 0.38 -0.14 0.00 -0.74 0.00 0.00 36.82 37.40 1agr h ILE 93 CO 0.10 0.00 0.32 0.28 0.00 0.00 0.00 178.15 178.85 1agr h SER 94 N -0.76 0.15 0.65 1.72 0.02 -1.17 0.47 113.55 114.64 1agr h SER 94 Ca -0.06 0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1agr h SER 94 Cb 0.62 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1agr h SER 94 CO 0.06 -0.12 -0.50 0.00 -1.14 0.00 0.00 176.83 175.13 1agr h GLU 96 N 0.00 0.67 0.12 0.00 4.39 0.93 -1.66 114.58 119.03 1agr h GLU 96 Ca -0.00 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1agr h GLU 96 Cb 0.96 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1agr h GLU 96 CO 0.06 1.02 -0.06 0.93 -1.16 0.00 0.00 179.01 179.80 1agr h GLU 97 N 0.52 -0.16 -0.99 2.33 5.08 -0.46 -2.87 114.58 118.04 1agr h GLU 97 Ca 0.02 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.61 1agr h GLU 97 Cb 1.06 0.04 -0.19 0.00 0.50 0.00 0.00 28.75 30.16 1agr h GLU 97 CO 0.10 -0.11 -0.17 -0.92 -1.00 0.00 0.00 179.01 176.91 1agr h TYR 98 N -0.17 -0.40 -0.95 4.33 3.20 -1.19 1.28 116.97 123.07 1agr h TYR 98 Ca -0.02 0.08 0.16 0.00 3.14 0.00 0.00 58.73 62.10 1agr h TYR 98 Cb 0.13 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 38.65 1agr h TYR 98 CO 0.19 -0.43 0.60 0.87 -1.64 0.00 0.00 178.16 177.76 1agr h LYS 99 N 0.00 0.71 0.00 1.82 1.57 -1.30 -0.85 116.57 118.52 1agr h LYS 99 Ca 0.51 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.18 1agr h LYS 99 Cb 0.86 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1agr h LYS 99 CO -0.99 0.47 -0.31 0.87 -0.57 0.00 0.00 179.45 178.92 1agr h LYS 100 N 0.73 0.00 -6.21 3.15 1.79 0.19 -3.46 116.57 112.76 1agr h LYS 100 Ca 0.50 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 58.28 1agr h LYS 100 Cb 0.79 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.52 1agr h LYS 100 CO -0.26 0.31 0.10 -0.89 -1.08 0.00 0.00 179.45 177.63 1agr n ILE 101 N -4.05 0.86 -0.02 1.86 5.41 -0.33 -4.92 119.36 118.17 1agr n ILE 101 Ca -0.02 -0.22 -0.03 0.00 1.00 0.00 0.00 62.75 63.48 1agr n ILE 101 Cb 0.36 -0.54 -0.02 0.00 -0.71 0.00 0.00 39.64 38.73 1agr n ILE 101 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1agr n LYS 102 N 1.60 0.37 -1.95 0.38 4.76 -1.26 -5.02 118.16 117.04 1agr n LYS 102 Ca 0.17 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.21 1agr n LYS 102 Cb 0.21 -1.10 -0.03 0.00 -1.84 0.00 0.00 35.03 32.28 1agr n LYS 102 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1agr s SER 103 N -4.39 6.63 0.40 4.39 0.15 -1.26 -4.92 113.70 114.70 1agr s SER 103 Ca -0.06 2.43 0.12 0.00 0.70 0.00 0.00 55.95 59.15 1agr s SER 103 Cb 0.02 -2.56 0.94 0.00 -1.71 0.00 0.00 66.02 62.71 1agr s SER 103 CO 0.11 -0.88 1.91 -0.65 1.20 0.00 0.00 173.24 174.93 1agr h PRO 104 N 8.46 0.53 0.00 5.44 0.11 -2.03 -2.72 132.00 141.78 1agr h PRO 104 Ca -0.42 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1agr h PRO 104 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1agr h PRO 104 CO 0.93 0.35 -1.11 0.66 -0.21 0.00 0.00 178.00 178.62 1agr h SER 105 N 0.54 0.00 -0.22 -2.05 4.64 -2.03 -3.35 113.55 111.07 1agr h SER 105 Ca 0.39 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.56 1agr h SER 105 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1agr h SER 105 CO -0.15 0.55 -0.40 0.11 -0.87 0.00 0.00 176.83 176.08 1agr h LYS 106 N 0.00 0.77 -0.72 4.77 1.79 -1.89 -3.35 116.57 117.94 1agr h LYS 106 Ca -0.11 -0.40 0.15 0.00 -2.18 0.00 0.00 60.65 58.11 1agr h LYS 106 Cb 1.52 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 32.05 1agr h LYS 106 CO 0.05 1.03 -0.11 1.25 -1.08 0.00 0.00 179.45 180.59 1agr h LEU 107 N 0.63 -0.54 -0.04 2.94 5.85 -1.69 -2.70 115.31 119.75 1agr h LEU 107 Ca 0.05 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1agr h LEU 107 Cb 0.95 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1agr h LEU 107 CO 0.09 -0.21 -0.06 -1.28 -0.34 0.00 0.00 178.44 176.63 1agr h SER 108 N 0.04 0.12 0.36 1.25 0.87 -1.81 -0.43 113.55 113.94 1agr h SER 108 Ca 0.36 -0.55 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1agr h SER 108 Cb 0.59 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1agr h SER 108 CO -0.70 0.65 -0.11 1.55 -0.53 0.00 0.00 176.83 177.70 1agr h PRO 109 N -0.40 0.00 0.16 2.24 0.13 -1.73 0.23 132.00 132.63 1agr h PRO 109 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1agr h PRO 109 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1agr h PRO 109 CO 0.01 0.11 -0.08 -0.22 -0.23 0.00 0.00 178.00 177.59 1agr h LYS 110 N 0.00 -0.21 -1.12 0.86 1.63 -1.37 -1.20 116.57 115.16 1agr h LYS 110 Ca -0.00 0.01 0.31 0.00 -0.85 0.00 0.00 60.65 60.12 1agr h LYS 110 Cb 0.31 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.91 1agr h LYS 110 CO 0.01 0.14 0.75 0.00 -3.45 0.00 0.00 179.45 176.91 1agr h ALA 111 N -0.59 2.59 0.00 5.00 0.00 -0.87 0.61 119.26 126.00 1agr h ALA 111 Ca -0.02 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1agr h ALA 111 Cb 0.45 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1agr h ALA 111 CO 0.04 -1.00 -0.67 0.87 0.00 0.00 0.00 179.25 178.49 1agr h LYS 112 N 0.23 0.00 0.51 0.00 1.57 -0.87 -0.50 116.57 117.51 1agr h LYS 112 Ca 0.61 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.36 1agr h LYS 112 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1agr h LYS 112 CO -0.21 0.67 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.88 1agr h LYS 113 N 0.00 -0.66 -0.25 3.15 3.64 0.14 -2.76 116.57 119.83 1agr h LYS 113 Ca -0.01 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1agr h LYS 113 Cb 1.43 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.33 1agr h LYS 113 CO 0.09 -0.39 -0.25 0.82 -2.27 0.00 0.00 179.45 177.45 1agr h ILE 114 N -1.12 0.37 0.02 2.00 2.04 -0.81 -1.12 117.51 118.89 1agr h ILE 114 Ca -0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1agr h ILE 114 Cb 0.57 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1agr h ILE 114 CO 0.11 0.00 -0.19 0.22 0.00 0.00 0.00 178.15 178.30 1agr h TYR 115 N -0.25 -0.49 -0.15 1.37 5.03 -1.22 0.69 116.97 121.95 1agr h TYR 115 Ca 0.14 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.51 1agr h TYR 115 Cb 0.47 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 1agr h TYR 115 CO -0.41 -0.27 0.16 -0.91 -1.32 0.00 0.00 178.16 175.42 1agr h ASN 116 N -0.31 0.00 0.00 -2.11 4.21 -1.05 0.82 115.58 117.14 1agr h ASN 116 Ca 0.05 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.20 1agr h ASN 116 Cb 0.37 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.51 1agr h ASN 116 CO -0.16 0.00 -2.34 1.21 -1.29 0.00 0.00 177.43 174.85 1agr n GLU 117 N -3.84 0.58 -0.00 0.81 2.13 -0.50 -4.24 120.64 115.58 1agr n GLU 117 Ca 0.01 0.15 0.04 0.00 0.66 0.00 0.00 57.16 58.02 1agr n GLU 117 Cb 0.28 -1.46 -0.06 0.00 0.27 0.00 0.00 31.44 30.47 1agr n GLU 117 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1agr n PHE 118 N -3.28 0.00 0.00 4.31 3.72 0.19 -2.15 117.46 120.26 1agr n PHE 118 Ca -0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1agr n PHE 118 Cb 0.93 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 1agr n PHE 118 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1agr n ILE 119 N -1.30 0.00 -1.84 4.37 2.08 0.08 -1.34 119.36 121.41 1agr n ILE 119 Ca 0.01 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.91 1agr n ILE 119 Cb 0.16 -0.65 -0.01 0.00 -0.75 0.00 0.00 39.64 38.39 1agr n ILE 119 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1agr s SER 120 N -2.52 6.43 0.66 4.38 0.15 -0.06 -4.83 113.70 117.91 1agr s SER 120 Ca 0.00 2.92 0.32 0.00 0.70 0.00 0.00 55.95 59.89 1agr s SER 120 Cb 0.00 -2.64 1.77 0.00 -1.71 0.00 0.00 66.02 63.44 1agr s SER 120 CO 0.00 -0.85 2.01 0.58 1.20 0.00 0.00 173.24 176.18 1agr h VAL 121 N 3.28 0.04 -0.49 4.45 2.07 -1.95 1.12 116.25 124.78 1agr h VAL 121 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1agr h VAL 121 Cb 1.23 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1agr h VAL 121 CO 0.74 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.33 1agr n GLN 122 N -3.01 2.53 -1.57 1.57 6.02 -1.26 -4.96 117.38 116.69 1agr n GLN 122 Ca -0.01 -2.33 -0.41 0.00 -0.01 0.00 0.00 57.00 54.23 1agr n GLN 122 Cb 0.34 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.08 1agr n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1agr n ALA 123 N 1.36 1.44 -0.62 -1.58 0.00 0.39 -4.84 120.51 116.66 1agr n ALA 123 Ca 0.19 -0.45 0.47 0.00 0.00 0.00 0.00 53.44 53.66 1agr n ALA 123 Cb 0.57 -2.98 0.73 0.00 0.00 0.00 0.00 19.45 17.76 1agr n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1agr n THR 124 N 7.81 -0.01 -1.92 0.00 -1.04 -1.26 0.19 114.28 118.04 1agr n THR 124 Ca 0.33 1.34 -0.07 0.00 -2.04 0.00 0.00 64.05 63.62 1agr n THR 124 Cb 0.46 -2.24 0.11 0.00 -1.82 0.00 0.00 70.33 66.84 1agr n THR 124 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1agr n LYS 125 N -3.76 2.31 -1.65 -2.82 5.02 -0.91 -5.05 118.16 111.29 1agr n LYS 125 Ca 0.40 -3.58 -0.56 0.00 -2.02 0.00 0.00 58.31 52.55 1agr n LYS 125 Cb 1.78 -1.77 -0.07 0.00 -0.02 0.00 0.00 35.03 34.95 1agr n LYS 125 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1agr n GLU 126 N -0.80 1.02 -2.00 1.97 2.13 0.49 -4.51 120.64 118.96 1agr n GLU 126 Ca 0.27 0.37 -0.30 0.00 0.66 0.00 0.00 57.16 58.16 1agr n GLU 126 Cb 0.85 -2.02 0.01 0.00 0.27 0.00 0.00 31.44 30.55 1agr n GLU 126 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1agr s VAL 127 N 2.08 4.58 -0.61 6.31 -7.23 -0.45 -4.99 120.40 120.08 1agr s VAL 127 Ca 0.93 0.71 -0.22 0.00 -1.81 0.00 0.00 61.98 61.59 1agr s VAL 127 Cb -1.06 -3.81 0.07 0.00 0.56 0.00 0.00 36.38 32.13 1agr s VAL 127 CO 0.58 -1.03 0.90 0.21 -0.31 0.00 0.00 175.10 175.45 1agr s ASN 128 N -4.19 6.21 0.00 4.85 3.84 -1.26 -4.93 114.94 119.47 1agr s ASN 128 Ca 0.54 -0.89 0.00 0.00 0.21 0.00 0.00 52.86 52.72 1agr s ASN 128 Cb -0.11 -2.40 -0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1agr s ASN 128 CO 0.52 -1.30 -0.01 -0.76 -2.79 0.00 0.00 177.10 172.76 1agr s LEU 129 N 3.74 2.04 0.20 3.21 1.43 -1.26 -4.82 118.68 123.22 1agr s LEU 129 Ca 0.22 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 1agr s LEU 129 Cb -0.17 -0.03 -0.09 0.00 0.03 0.00 0.00 46.19 45.93 1agr s LEU 129 CO 0.12 -0.03 1.35 1.51 0.23 0.00 0.00 176.35 179.52 1agr s ASP 130 N -0.24 6.83 0.15 2.29 -4.77 -1.26 -4.75 116.67 114.93 1agr s ASP 130 Ca -0.02 2.45 0.02 0.00 -3.30 0.00 0.00 52.55 51.69 1agr s ASP 130 Cb -0.02 -2.61 0.38 0.00 -1.09 0.00 0.00 42.92 39.58 1agr s ASP 130 CO -0.00 -0.58 0.73 -0.24 0.70 0.00 0.00 175.17 175.78 1agr n SER 131 N 2.76 -0.04 -0.31 2.11 2.88 -1.26 0.57 113.62 120.33 1agr n SER 131 Ca 0.07 0.79 -0.05 0.00 -1.33 0.00 0.00 58.87 58.35 1agr n SER 131 Cb 0.42 -0.29 0.08 0.00 -0.75 0.00 0.00 64.21 63.66 1agr n SER 131 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1agr h THR 133 N 1.19 1.29 -0.47 0.00 2.02 -0.23 -2.02 112.91 114.70 1agr h THR 133 Ca 0.29 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 1agr h THR 133 Cb 0.07 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1agr h THR 133 CO -0.04 0.48 0.10 -0.09 0.37 0.00 0.00 175.52 176.33 1agr h ARG 134 N 0.52 0.71 0.02 6.66 2.43 -1.04 -1.35 114.38 122.33 1agr h ARG 134 Ca 0.05 -0.14 -0.21 0.00 -0.81 0.00 0.00 59.98 58.87 1agr h ARG 134 Cb 0.88 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1agr h ARG 134 CO 0.08 0.66 -1.00 0.93 -1.51 0.00 0.00 179.97 179.13 1agr h GLU 135 N 0.69 0.07 0.36 0.20 5.08 -0.68 -1.03 114.58 119.26 1agr h GLU 135 Ca 0.15 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1agr h GLU 135 Cb 0.28 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1agr h GLU 135 CO 0.00 1.00 -0.17 1.49 -1.00 0.00 0.00 179.01 180.33 1agr h GLU 136 N 0.03 -0.46 -0.90 2.33 4.81 -1.12 -2.12 114.58 117.14 1agr h GLU 136 Ca -0.03 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1agr h GLU 136 Cb 1.72 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 31.13 1agr h GLU 136 CO 0.14 -0.28 0.58 1.15 -0.73 0.00 0.00 179.01 179.87 1agr h THR 137 N -0.52 0.79 -0.64 0.32 2.02 -1.19 -1.81 112.91 111.87 1agr h THR 137 Ca -0.05 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1agr h THR 137 Cb 0.40 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1agr h THR 137 CO 0.08 0.12 0.23 0.28 0.37 0.00 0.00 175.52 176.59 1agr h SER 138 N 0.63 0.91 -0.28 4.18 0.02 -0.57 -1.92 113.55 116.53 1agr h SER 138 Ca 0.46 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1agr h SER 138 Cb 0.83 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1agr h SER 138 CO -0.21 0.86 -0.13 0.03 -1.14 0.00 0.00 176.83 176.23 1agr h ARG 139 N 0.91 0.70 -0.30 3.45 3.08 -0.73 -1.67 114.38 119.83 1agr h ARG 139 Ca 0.21 -0.24 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1agr h ARG 139 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1agr h ARG 139 CO -0.01 0.81 0.23 -0.91 -1.07 0.00 0.00 179.97 179.02 1agr h ASN 140 N 0.64 0.00 0.36 7.04 4.21 -0.86 -1.87 115.58 125.10 1agr h ASN 140 Ca 0.11 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1agr h ASN 140 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1agr h ASN 140 CO 0.04 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.41 1agr n MET 141 N -4.27 0.27 0.09 0.81 2.81 -0.63 -2.48 117.12 113.71 1agr n MET 141 Ca 0.04 0.11 -0.03 0.00 -1.81 0.00 0.00 57.70 56.01 1agr n MET 141 Cb 0.39 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.34 1agr n MET 141 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1agr h LEU 142 N 0.00 0.00 -5.64 4.03 3.38 -1.44 -3.38 115.31 112.26 1agr h LEU 142 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1agr h LEU 142 Cb 0.18 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.64 1agr h LEU 142 CO 0.00 0.78 -0.87 1.21 0.09 0.00 0.00 178.44 179.66 1agr n GLU 143 N -3.27 0.69 -1.51 1.13 4.07 -1.04 -5.09 120.64 115.62 1agr n GLU 143 Ca -0.00 -2.66 -0.18 0.00 -0.06 0.00 0.00 57.16 54.26 1agr n GLU 143 Cb 0.86 -1.34 -0.16 0.00 -0.06 0.00 0.00 31.44 30.74 1agr n GLU 143 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1agr n PRO 144 N 1.64 0.22 -0.87 5.31 -0.02 -1.04 -4.94 135.00 135.29 1agr n PRO 144 Ca 0.17 -0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 1agr n PRO 144 Cb 0.56 -2.09 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 1agr n PRO 144 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1agr n THR 145 N 6.81 0.00 1.65 3.45 -2.24 -1.26 -4.72 114.28 117.98 1agr n THR 145 Ca 0.58 -0.42 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1agr n THR 145 Cb 0.26 -1.65 0.64 0.00 -2.10 0.00 0.00 70.33 67.49 1agr n THR 145 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1agr n ILE 146 N -2.46 0.02 -1.13 2.28 -5.35 -1.26 -3.10 119.36 108.36 1agr n ILE 146 Ca 0.06 -0.17 -0.01 0.00 -0.27 0.00 0.00 62.75 62.36 1agr n ILE 146 Cb 0.21 0.14 0.26 0.00 -1.74 0.00 0.00 39.64 38.51 1agr n ILE 146 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1agr n THR 147 N -0.22 2.64 -0.15 7.28 -2.24 -1.26 -4.76 114.28 115.57 1agr n THR 147 Ca 0.20 -2.00 -0.04 0.00 -2.27 0.00 0.00 64.05 59.94 1agr n THR 147 Cb 0.26 -0.32 0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1agr n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1agr n PHE 149 N -4.96 2.66 0.04 0.00 3.72 -1.26 -4.72 117.46 112.94 1agr n PHE 149 Ca 0.04 -2.41 -0.20 0.00 -0.05 0.00 0.00 57.45 54.84 1agr n PHE 149 Cb 0.16 -0.79 -0.12 0.00 -0.94 0.00 0.00 39.48 37.79 1agr n PHE 149 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1agr h ASP 150 N 1.88 0.69 -0.49 4.37 5.19 -1.85 -1.19 116.42 125.02 1agr h ASP 150 Ca 0.44 -0.79 -0.11 0.00 -0.62 0.00 0.00 57.03 55.94 1agr h ASP 150 Cb 1.33 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 1agr h ASP 150 CO 1.01 1.40 -0.12 -0.33 -3.12 0.00 0.00 179.24 178.09 1agr h GLU 151 N 0.06 0.98 -0.24 3.56 4.39 -1.85 -2.68 114.58 118.80 1agr h GLU 151 Ca -0.12 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 1agr h GLU 151 Cb 1.58 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.16 1agr h GLU 151 CO 0.17 1.04 -0.07 0.00 -1.16 0.00 0.00 179.01 178.99 1agr h ALA 152 N 0.98 0.33 -0.24 3.43 0.00 -1.87 -1.21 119.26 120.67 1agr h ALA 152 Ca 0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1agr h ALA 152 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1agr h ALA 152 CO 0.05 0.13 -0.21 0.37 0.00 0.00 0.00 179.25 179.59 1agr h GLN 153 N 0.20 0.43 -0.11 0.00 4.15 -1.24 -1.59 115.11 116.94 1agr h GLN 153 Ca 0.06 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1agr h GLN 153 Cb 0.54 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1agr h GLN 153 CO 0.03 0.62 -0.06 -0.22 -1.93 0.00 0.00 178.83 177.27 1agr h LYS 154 N 0.39 0.23 0.00 1.69 3.64 -1.27 -1.79 116.57 119.45 1agr h LYS 154 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1agr h LYS 154 Cb 0.59 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1agr h LYS 154 CO 0.04 0.59 0.00 1.63 -2.27 0.00 0.00 179.45 179.44 1agr n LYS 155 N -4.70 0.00 -0.43 1.90 4.76 -0.48 -1.90 118.16 117.31 1agr n LYS 155 Ca -0.06 0.62 0.40 0.00 -2.87 0.00 0.00 58.31 56.40 1agr n LYS 155 Cb 0.28 -1.45 0.77 0.00 -1.84 0.00 0.00 35.03 32.79 1agr n LYS 155 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1agr h ILE 156 N 0.00 0.29 -0.24 -0.18 1.08 -1.38 0.44 117.51 117.53 1agr h ILE 156 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1agr h ILE 156 Cb 0.00 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 1agr h ILE 156 CO 0.00 0.00 -0.05 0.15 -0.69 0.00 0.00 178.15 177.56 1agr h PHE 157 N 0.00 0.51 -0.90 1.37 3.57 -0.93 -1.60 116.94 118.96 1agr h PHE 157 Ca 0.67 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 1agr h PHE 157 Cb 2.70 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 41.27 1agr h PHE 157 CO 0.00 0.68 0.54 -0.97 -2.23 0.00 0.00 178.31 176.33 1agr h ASN 158 N 0.20 1.09 0.04 0.41 -1.24 0.52 -1.02 115.58 115.57 1agr h ASN 158 Ca 0.06 -0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.02 1agr h ASN 158 Cb 0.51 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1agr h ASN 158 CO 0.02 0.84 -0.11 0.25 -1.29 0.00 0.00 177.43 177.14 1agr h LEU 159 N 1.24 -0.31 -1.80 0.34 5.85 -0.99 -2.38 115.31 117.26 1agr h LEU 159 Ca 0.32 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 1agr h LEU 159 Cb -0.05 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1agr h LEU 159 CO -0.06 -0.17 -0.13 0.24 -0.34 0.00 0.00 178.44 177.99 1agr h MET 160 N -0.21 0.00 0.22 1.25 2.86 -0.52 -2.28 114.93 116.25 1agr h MET 160 Ca 0.03 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.32 1agr h MET 160 Cb 0.24 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.92 1agr h MET 160 CO -0.08 0.13 -1.64 1.49 1.06 0.00 0.00 176.91 177.87 1agr h GLU 161 N 0.00 0.46 -0.04 1.72 4.81 -0.92 0.50 114.58 121.10 1agr h GLU 161 Ca -0.00 -0.78 -0.18 0.00 -0.13 0.00 0.00 59.36 58.27 1agr h GLU 161 Cb 0.24 0.29 0.01 0.00 0.63 0.00 0.00 28.75 29.93 1agr h GLU 161 CO 0.02 1.38 -0.67 0.87 -0.73 0.00 0.00 179.01 179.87 1agr h LYS 162 N 0.12 0.53 0.00 1.92 1.57 -1.40 -3.32 116.57 115.99 1agr h LYS 162 Ca -0.31 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 1agr h LYS 162 Cb 2.13 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.57 1agr h LYS 162 CO 0.22 1.14 0.00 -3.47 -0.57 0.00 0.00 179.45 176.77 1agr n ASP 163 N -4.13 0.00 -0.35 0.86 2.03 -0.86 -4.53 116.55 109.56 1agr n ASP 163 Ca -0.10 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.20 1agr n ASP 163 Cb 0.70 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.13 1agr n ASP 163 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1agr n SER 164 N 0.00 -0.61 -0.12 1.67 7.64 -1.22 -2.27 113.62 118.71 1agr n SER 164 Ca 0.00 1.59 -0.05 0.00 1.01 0.00 0.00 58.87 61.43 1agr n SER 164 Cb 0.00 -0.36 0.01 0.00 -1.01 0.00 0.00 64.21 62.86 1agr n SER 164 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1agr h TYR 165 N 0.00 -0.22 -0.96 1.43 3.20 -0.17 0.29 116.97 120.55 1agr h TYR 165 Ca 0.31 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.23 1agr h TYR 165 Cb 0.54 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1agr h TYR 165 CO -0.81 -0.17 0.64 0.00 -1.64 0.00 0.00 178.16 176.18 1agr h ARG 166 N -0.00 1.26 -0.01 1.82 2.47 -1.55 -0.17 114.38 118.21 1agr h ARG 166 Ca 0.19 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.72 1agr h ARG 166 Cb 0.30 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1agr h ARG 166 CO -0.42 0.83 -0.53 -0.09 0.56 0.00 0.00 179.97 180.33 1agr h ARG 167 N 1.30 0.03 -0.23 0.04 2.43 -1.34 -3.19 114.38 113.42 1agr h ARG 167 Ca 0.35 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1agr h ARG 167 Cb -0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1agr h ARG 167 CO -0.08 0.55 0.02 0.35 -1.51 0.00 0.00 179.97 179.31 1agr h PHE 168 N 0.02 0.41 0.00 2.20 3.57 0.89 -2.97 116.94 121.07 1agr h PHE 168 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1agr h PHE 168 Cb 0.95 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1agr h PHE 168 CO 0.00 0.54 0.00 1.28 -2.23 0.00 0.00 178.31 177.90 1agr n LEU 169 N -4.69 0.00 -0.00 0.59 4.77 -0.92 -0.88 117.00 115.88 1agr n LEU 169 Ca -0.04 0.09 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1agr n LEU 169 Cb 0.21 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1agr n LEU 169 CO 0.37 -0.07 -0.21 0.29 -1.33 0.00 0.00 177.39 176.45 1agr n LYS 170 N -1.09 3.41 -1.68 3.23 5.02 -1.15 -4.74 118.16 121.16 1agr n LYS 170 Ca 0.06 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1agr n LYS 170 Cb 0.04 -0.90 0.19 0.00 -0.02 0.00 0.00 35.03 34.34 1agr n LYS 170 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1agr s SER 171 N -1.93 2.74 0.12 4.39 1.04 -0.05 -4.86 113.70 115.15 1agr s SER 171 Ca 0.01 0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.87 1agr s SER 171 Cb 0.04 -0.65 -0.13 0.00 0.10 0.00 0.00 66.02 65.38 1agr s SER 171 CO 0.24 -2.98 1.27 0.08 0.98 0.00 0.00 173.24 172.83 1agr h ARG 172 N -1.81 0.35 -1.05 4.02 0.11 -1.94 -1.62 114.38 112.44 1agr h ARG 172 Ca -0.45 -0.42 0.42 0.00 0.10 0.00 0.00 59.98 59.63 1agr h ARG 172 Cb 1.27 0.13 -0.17 0.00 1.11 0.00 0.00 29.97 32.31 1agr h ARG 172 CO 0.42 1.11 0.60 1.19 0.10 0.00 0.00 179.97 183.39 1agr n PHE 173 N -3.68 1.05 -0.11 4.08 3.01 -1.26 0.14 117.46 120.69 1agr n PHE 173 Ca -0.07 1.06 -0.21 0.00 1.01 0.00 0.00 57.45 59.24 1agr n PHE 173 Cb 0.88 -1.47 -0.09 0.00 -0.01 0.00 0.00 39.48 38.79 1agr n PHE 173 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1agr n TYR 174 N -5.10 0.61 0.32 1.38 9.36 -1.23 -4.53 117.16 117.97 1agr n TYR 174 Ca 0.38 0.27 0.04 0.00 3.32 0.00 0.00 57.90 61.91 1agr n TYR 174 Cb 1.32 -0.97 0.20 0.00 -0.63 0.00 0.00 39.34 39.25 1agr n TYR 174 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1agr n LEU 175 N -4.41 0.00 0.13 2.98 4.77 -0.27 -1.34 117.00 118.86 1agr n LEU 175 Ca -0.34 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1agr n LEU 175 Cb 0.67 -0.50 0.42 0.00 -2.33 0.00 0.00 43.42 41.68 1agr n LEU 175 CO 0.13 -0.34 0.88 -0.78 -1.33 0.00 0.00 177.39 175.95 1agr h ASP 176 N 0.00 0.00 0.82 -1.43 1.82 1.00 -2.38 116.42 116.25 1agr h ASP 176 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1agr h ASP 176 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1agr h ASP 176 CO 0.00 0.00 -0.92 0.18 -1.61 0.00 0.00 179.24 176.89 1agr n LEU 177 N -2.35 0.74 -0.72 2.28 4.77 -0.45 -5.10 117.00 116.15 1agr n LEU 177 Ca 0.04 0.22 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1agr n LEU 177 Cb 0.38 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1agr n LEU 177 CO 0.28 -0.10 0.54 0.41 -1.33 0.00 0.00 177.39 177.19