#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfa n ASN 56 N 0.00 0.11 -4.17 -3.46 5.15 -1.26 -4.79 115.26 106.84 1rfa n ASN 56 Ca 0.00 -1.81 -0.17 0.00 -0.60 0.00 0.00 54.58 51.99 1rfa n ASN 56 Cb 0.00 -0.15 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1rfa s THR 57 N 0.00 1.07 0.17 -0.44 -4.23 -1.26 -3.02 115.64 107.93 1rfa s THR 57 Ca 0.06 -1.37 -0.14 0.00 -1.18 0.00 0.00 61.69 59.05 1rfa s THR 57 Cb 0.06 -1.11 0.02 0.00 1.34 0.00 0.00 72.50 72.81 1rfa s THR 57 CO -0.03 -0.30 0.42 -0.63 -0.54 0.00 0.00 174.62 173.54 1rfa s ILE 58 N -1.51 0.05 0.26 2.99 1.01 -0.45 -0.12 121.20 123.43 1rfa s ILE 58 Ca -0.01 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.76 1rfa s ILE 58 Cb -0.09 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1rfa s ILE 58 CO 0.02 -0.23 0.19 -0.13 0.00 0.00 0.00 174.94 174.80 1rfa s ARG 59 N -3.89 2.88 -0.13 2.79 3.00 -1.07 -0.09 118.95 122.44 1rfa s ARG 59 Ca 0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 55.73 54.73 1rfa s ARG 59 Cb 0.01 -2.54 0.04 0.00 0.00 0.00 0.00 34.95 32.46 1rfa s ARG 59 CO -0.04 0.38 0.01 0.08 0.00 0.00 0.00 175.30 175.74 1rfa s VAL 60 N -2.15 0.46 -0.02 3.52 1.01 0.78 0.01 120.40 124.00 1rfa s VAL 60 Ca 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1rfa s VAL 60 Cb -0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1rfa s VAL 60 CO 0.25 0.05 0.15 -0.36 0.00 0.00 0.00 175.10 175.19 1rfa s PHE 61 N 1.91 3.49 0.49 5.22 0.40 0.99 -1.57 117.98 128.92 1rfa s PHE 61 Ca 0.02 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.71 1rfa s PHE 61 Cb -0.14 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1rfa s PHE 61 CO -0.07 0.64 0.70 -0.51 0.70 0.00 0.00 175.22 176.68 1rfa s LEU 62 N -1.76 3.48 0.00 -0.37 2.01 0.15 -1.11 118.68 121.08 1rfa s LEU 62 Ca 0.25 0.06 0.27 0.00 0.01 0.00 0.00 54.13 54.71 1rfa s LEU 62 Cb -0.12 -2.96 1.27 0.00 0.01 0.00 0.00 46.19 44.39 1rfa s LEU 62 CO 0.16 -0.91 1.86 -2.65 1.01 0.00 0.00 176.35 175.81 1rfa n PRO 63 N -2.17 1.37 -0.50 1.29 -0.02 -1.22 -0.83 135.00 132.93 1rfa n PRO 63 Ca 0.05 -0.54 0.07 0.00 -2.02 0.00 0.00 63.50 61.06 1rfa n PRO 63 Cb 0.59 -1.44 0.28 0.00 -0.02 0.00 0.00 33.50 32.90 1rfa n PRO 63 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1rfa n ASN 64 N -0.31 3.85 0.00 2.55 5.15 -1.26 -4.86 115.26 120.38 1rfa n ASN 64 Ca 0.19 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.79 1rfa n ASN 64 Cb 0.23 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1rfa n LYS 65 N 0.78 0.00 -1.23 1.20 4.76 -0.01 -4.99 118.16 118.67 1rfa n LYS 65 Ca 0.20 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.50 1rfa n LYS 65 Cb 0.74 -2.60 0.09 0.00 -1.84 0.00 0.00 35.03 31.42 1rfa n LYS 65 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1rfa n GLN 66 N -2.54 -0.37 -3.58 1.97 1.13 -1.23 -4.66 117.38 108.10 1rfa n GLN 66 Ca 0.00 -1.21 -0.08 0.00 -1.94 0.00 0.00 57.00 53.77 1rfa n GLN 66 Cb 0.00 -0.59 -0.02 0.00 0.11 0.00 0.00 30.24 29.74 1rfa n GLN 66 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1rfa s ARG 67 N -4.29 1.06 -0.12 -1.09 3.03 -1.25 0.33 118.95 116.62 1rfa s ARG 67 Ca 0.38 -0.47 -0.33 0.00 2.03 0.00 0.00 55.73 57.34 1rfa s ARG 67 Cb -0.01 0.44 0.13 0.00 -1.03 0.00 0.00 34.95 34.47 1rfa s ARG 67 CO 0.26 -0.47 1.26 -0.08 -1.13 0.00 0.00 175.30 175.14 1rfa s THR 68 N -3.32 0.00 0.05 4.99 -1.32 -0.61 -4.94 115.64 110.50 1rfa s THR 68 Ca 0.07 -0.10 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1rfa s THR 68 Cb -0.01 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 1rfa s THR 68 CO -0.06 0.00 -0.04 0.54 -2.21 0.00 0.00 174.62 172.86 1rfa s VAL 69 N -2.39 3.81 0.15 5.08 0.11 -1.26 -0.16 120.40 125.75 1rfa s VAL 69 Ca 0.12 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1rfa s VAL 69 Cb 0.02 -2.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 1rfa s VAL 69 CO -0.04 0.25 0.09 0.68 -3.33 0.00 0.00 175.10 172.75 1rfa s VAL 70 N -1.15 0.07 0.11 2.04 -7.23 0.87 -4.92 120.40 110.18 1rfa s VAL 70 Ca 0.21 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 1rfa s VAL 70 Cb -0.11 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1rfa s VAL 70 CO 0.13 -0.30 -0.19 0.20 -0.31 0.00 0.00 175.10 174.62 1rfa s ASN 71 N -3.09 2.40 -0.14 4.85 0.01 -1.26 -1.34 114.94 116.37 1rfa s ASN 71 Ca 0.29 -0.70 -0.10 0.00 -0.71 0.00 0.00 52.86 51.63 1rfa s ASN 71 Cb 0.07 -0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.56 1rfa s ASN 71 CO 0.05 0.02 0.20 0.54 -1.51 0.00 0.00 177.10 176.40 1rfa s VAL 72 N -1.34 5.38 0.00 1.60 0.11 -1.17 -5.00 120.40 119.99 1rfa s VAL 72 Ca 0.06 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1rfa s VAL 72 Cb -0.09 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1rfa s VAL 72 CO 0.04 0.52 0.00 -1.14 -3.33 0.00 0.00 175.10 171.19 1rfa n ARG 73 N 2.73 3.45 -1.86 1.54 3.00 -1.26 -4.86 116.66 119.39 1rfa n ARG 73 Ca -0.16 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.28 1rfa n ARG 73 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.98 1rfa n ARG 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rfa n ASN 74 N 0.00 7.56 0.00 6.15 4.13 -1.26 -3.94 115.26 127.90 1rfa n ASN 74 Ca 0.00 -2.98 0.00 0.00 1.68 0.00 0.00 54.58 53.28 1rfa n ASN 74 Cb 0.00 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 36.80 1rfa n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rfa n GLY 75 N 2.46 0.85 3.77 7.41 0.00 -1.26 -5.08 105.19 113.34 1rfa n GLY 75 Ca 0.63 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.27 1rfa n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rfa s MET 76 N 0.30 4.49 0.31 1.61 -1.94 -1.25 -5.04 119.30 117.78 1rfa s MET 76 Ca 0.00 1.50 0.08 0.00 -1.71 0.00 0.00 55.69 55.57 1rfa s MET 76 Cb 0.00 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 1rfa s MET 76 CO 0.00 0.16 0.13 -1.12 -0.01 0.00 0.00 175.02 174.18 1rfa s SER 77 N -1.40 4.84 0.19 3.03 0.01 -1.26 -4.20 113.70 114.91 1rfa s SER 77 Ca 0.50 -0.63 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 1rfa s SER 77 Cb -0.23 -0.88 0.11 0.00 0.21 0.00 0.00 66.02 65.22 1rfa s SER 77 CO 0.29 -0.19 1.57 -0.07 0.41 0.00 0.00 173.24 175.25 1rfa h LEU 78 N 1.59 -1.42 -0.08 2.44 -0.00 -1.39 1.64 115.31 118.09 1rfa h LEU 78 Ca -0.45 0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 57.68 1rfa h LEU 78 Cb 1.25 0.68 -0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1rfa h LEU 78 CO 0.62 -0.31 0.01 0.45 -0.00 0.00 0.00 178.44 179.20 1rfa h HIS 79 N -0.14 0.16 0.00 1.13 3.86 -1.29 0.56 115.15 119.44 1rfa h HIS 79 Ca 0.24 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1rfa h HIS 79 Cb 0.56 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1rfa h HIS 79 CO -0.75 0.39 -0.04 -0.44 0.86 0.00 0.00 177.93 177.96 1rfa h ASP 80 N -0.12 0.00 0.63 2.45 5.19 -0.83 0.69 116.42 124.43 1rfa h ASP 80 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1rfa h ASP 80 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1rfa h ASP 80 CO 0.00 0.04 -1.28 0.00 -3.12 0.00 0.00 179.24 174.88 1rfa n LEU 82 N -2.44 2.96 -0.27 0.00 7.99 0.19 -3.65 117.00 121.77 1rfa n LEU 82 Ca -0.01 -0.10 0.29 0.00 -0.01 0.00 0.00 56.01 56.18 1rfa n LEU 82 Cb 0.54 -0.65 0.67 0.00 -0.11 0.00 0.00 43.42 43.86 1rfa n LEU 82 CO 0.42 0.82 1.27 -0.03 -1.51 0.00 0.00 177.39 178.36 1rfa h MET 83 N 0.00 0.12 -0.18 3.23 4.05 0.23 0.93 114.93 123.31 1rfa h MET 83 Ca -0.42 -0.01 -0.19 0.00 -0.28 0.00 0.00 59.70 58.80 1rfa h MET 83 Cb 1.66 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.43 1rfa h MET 83 CO -0.06 0.08 -0.65 -0.22 0.23 0.00 0.00 176.91 176.28 1rfa h LYS 84 N 0.12 0.67 -0.17 0.39 3.11 -1.68 0.56 116.57 119.58 1rfa h LYS 84 Ca 0.52 -0.48 -0.18 0.00 -2.81 0.00 0.00 60.65 57.70 1rfa h LYS 84 Cb 1.84 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 33.15 1rfa h LYS 84 CO -0.09 1.10 -0.63 0.00 -2.81 0.00 0.00 179.45 177.02 1rfa h ALA 85 N 0.78 0.57 0.00 5.00 0.00 0.60 -2.94 119.26 123.27 1rfa h ALA 85 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1rfa h ALA 85 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rfa h ALA 85 CO 0.13 0.70 -1.45 1.28 0.00 0.00 0.00 179.25 179.91 1rfa n LEU 86 N -3.93 0.43 -0.01 0.00 4.77 0.10 -2.93 117.00 115.44 1rfa n LEU 86 Ca -0.04 0.09 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1rfa n LEU 86 Cb 0.66 -0.04 0.40 0.00 -2.33 0.00 0.00 43.42 42.11 1rfa n LEU 86 CO 0.49 -0.05 1.12 0.50 -1.33 0.00 0.00 177.39 178.12 1rfa h LYS 87 N 0.00 0.55 -0.01 3.23 1.63 0.18 1.29 116.57 123.43 1rfa h LYS 87 Ca 0.00 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 1rfa h LYS 87 Cb 0.93 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1rfa h LYS 87 CO 0.00 0.40 -0.51 0.28 -3.45 0.00 0.00 179.45 176.17 1rfa h VAL 88 N 0.56 1.37 0.09 2.00 2.07 -1.39 -3.22 116.25 117.72 1rfa h VAL 88 Ca 0.15 -1.76 -0.35 0.00 0.82 0.00 0.00 66.70 65.55 1rfa h VAL 88 Cb 0.01 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1rfa h VAL 88 CO -0.03 0.51 -1.96 0.54 0.02 0.00 0.00 177.57 176.65 1rfa n ARG 89 N -3.93 0.71 0.00 1.57 1.74 -0.46 -4.99 116.66 111.30 1rfa n ARG 89 Ca -0.02 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1rfa n ARG 89 Cb 0.53 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1rfa n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rfa n GLY 90 N 1.91 0.97 3.34 -0.13 0.00 0.40 -5.09 105.19 106.60 1rfa n GLY 90 Ca -0.35 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1rfa n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rfa s LEU 91 N 0.00 1.70 0.07 0.99 1.02 0.11 -5.01 118.68 117.56 1rfa s LEU 91 Ca 0.00 -1.45 0.07 0.00 0.02 0.00 0.00 54.13 52.78 1rfa s LEU 91 Cb 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 46.19 46.21 1rfa s LEU 91 CO 0.00 -0.78 -0.20 0.00 0.02 0.00 0.00 176.35 175.40 1rfa s GLN 92 N -3.95 1.16 0.00 1.70 -2.07 -1.26 -4.11 119.66 111.13 1rfa s GLN 92 Ca 0.36 -1.03 0.12 0.00 -1.82 0.00 0.00 55.36 53.00 1rfa s GLN 92 Cb 0.07 -1.33 0.09 0.00 -1.09 0.00 0.00 33.01 30.75 1rfa s GLN 92 CO 0.15 0.32 0.88 -0.35 -1.32 0.00 0.00 175.29 174.97 1rfa n PRO 93 N 1.43 0.80 0.22 9.60 -0.04 -1.26 -4.41 135.00 141.33 1rfa n PRO 93 Ca -0.19 -1.21 0.15 0.00 -0.04 0.00 0.00 63.50 62.22 1rfa n PRO 93 Cb 0.54 -1.23 0.60 0.00 -0.04 0.00 0.00 33.50 33.36 1rfa n PRO 93 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rfa h GLU 94 N 2.37 0.00 -0.36 0.54 3.07 -1.98 -1.85 114.58 116.37 1rfa h GLU 94 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 1rfa h GLU 94 Cb 0.51 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.33 1rfa h GLU 94 CO 0.00 0.00 -0.02 0.00 -1.40 0.00 0.00 179.01 177.59 1rfa s ALA 97 N -4.11 2.85 0.18 0.00 0.00 -0.86 -4.71 121.76 115.11 1rfa s ALA 97 Ca 0.39 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.50 1rfa s ALA 97 Cb 0.07 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1rfa s ALA 97 CO 0.13 0.47 0.14 0.54 0.00 0.00 0.00 175.76 177.04 1rfa s VAL 98 N -0.45 4.47 0.17 0.00 0.11 -1.26 0.73 120.40 124.17 1rfa s VAL 98 Ca 0.06 -1.14 -0.10 0.00 -2.93 0.00 0.00 61.98 57.87 1rfa s VAL 98 Cb -0.12 -3.30 -0.00 0.00 -1.53 0.00 0.00 36.38 31.42 1rfa s VAL 98 CO 0.02 -0.15 0.32 -0.36 -3.33 0.00 0.00 175.10 171.60 1rfa s PHE 99 N -1.81 0.35 0.01 1.54 0.40 0.16 -2.49 117.98 116.13 1rfa s PHE 99 Ca 0.31 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1rfa s PHE 99 Cb -0.10 -0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.39 1rfa s PHE 99 CO 0.24 -0.75 -0.03 0.50 0.70 0.00 0.00 175.22 175.87 1rfa s ARG 100 N -3.96 2.64 0.94 0.44 3.52 0.19 -0.38 118.95 122.35 1rfa s ARG 100 Ca 0.17 -0.69 -0.15 0.00 -0.13 0.00 0.00 55.73 54.93 1rfa s ARG 100 Cb 0.03 -2.57 0.17 0.00 -1.56 0.00 0.00 34.95 31.01 1rfa s ARG 100 CO 0.00 0.60 1.22 -0.51 -0.81 0.00 0.00 175.30 175.80 1rfa s LEU 101 N -1.59 2.23 -0.59 -0.88 1.02 -0.97 0.20 118.68 118.10 1rfa s LEU 101 Ca 0.19 0.61 -0.28 0.00 0.02 0.00 0.00 54.13 54.67 1rfa s LEU 101 Cb -0.11 -2.79 0.02 0.00 0.02 0.00 0.00 46.19 43.33 1rfa s LEU 101 CO 0.10 -2.66 1.28 -1.48 0.02 0.00 0.00 176.35 173.60 1rfa s LEU 102 N -5.98 3.41 0.00 1.79 2.34 -1.26 -4.46 118.68 114.52 1rfa s LEU 102 Ca 0.68 0.12 0.13 0.00 0.06 0.00 0.00 54.13 55.12 1rfa s LEU 102 Cb -0.09 -3.08 0.10 0.00 -0.56 0.00 0.00 46.19 42.57 1rfa s LEU 102 CO 0.52 -1.59 0.90 1.41 -1.06 0.00 0.00 176.35 176.54 1rfa n HIS 103 N 8.91 0.01 -2.09 3.48 8.25 -1.26 -4.58 115.22 127.94 1rfa n HIS 103 Ca 0.09 -0.01 -0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1rfa n HIS 103 Cb 0.49 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 1rfa n HIS 103 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1rfa n GLU 104 N 0.71 0.28 -4.40 -0.41 0.00 -1.26 -5.13 120.64 110.43 1rfa n GLU 104 Ca 0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 57.16 56.16 1rfa n GLU 104 Cb 0.32 0.46 -0.09 0.00 0.00 0.00 0.00 31.44 32.13 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1rfa s HIS 105 N 0.03 1.71 -0.09 -1.84 0.09 -1.26 -5.15 115.29 108.78 1rfa s HIS 105 Ca 0.02 -1.37 0.01 0.00 -0.00 0.00 0.00 55.06 53.71 1rfa s HIS 105 Cb 0.09 -0.97 0.02 0.00 -0.00 0.00 0.00 32.58 31.73 1rfa s HIS 105 CO -0.03 -0.48 -0.08 0.21 -0.00 0.00 0.00 174.74 174.36 1rfa s LYS 106 N -3.71 1.44 0.00 1.40 2.47 -1.26 -4.86 119.74 115.22 1rfa s LYS 106 Ca 0.32 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.46 1rfa s LYS 106 Cb 0.04 -1.40 0.00 0.00 -1.46 0.00 0.00 37.83 35.00 1rfa s LYS 106 CO 0.18 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 175.95 1rfa n GLY 107 N 4.49 2.36 0.00 5.54 0.00 -1.26 -4.92 105.19 111.41 1rfa n GLY 107 Ca -0.17 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1rfa n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rfa n LYS 108 N 0.00 3.63 -4.03 1.61 0.00 -1.26 -5.03 118.16 113.08 1rfa n LYS 108 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 1rfa n LYS 108 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1rfa n LYS 108 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1rfa s LYS 109 N 3.40 1.10 -0.27 1.64 1.02 -1.26 -4.11 119.74 121.26 1rfa s LYS 109 Ca 0.00 -1.28 -0.16 0.00 0.02 0.00 0.00 55.97 54.55 1rfa s LYS 109 Cb 0.00 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.61 1rfa s LYS 109 CO 0.00 -0.38 0.41 0.00 -0.92 0.00 0.00 175.35 174.47 1rfa s ALA 110 N -4.00 3.57 0.18 5.17 0.00 0.13 -4.94 121.76 121.87 1rfa s ALA 110 Ca 0.21 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 1rfa s ALA 110 Cb 0.05 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.34 1rfa s ALA 110 CO 0.01 -0.68 0.47 0.50 0.00 0.00 0.00 175.76 176.06 1rfa s ARG 111 N 2.14 3.74 0.12 0.00 3.00 -1.26 0.54 118.95 127.23 1rfa s ARG 111 Ca 0.17 0.14 0.01 0.00 -1.00 0.00 0.00 55.73 55.04 1rfa s ARG 111 Cb -0.16 -2.76 -0.00 0.00 0.00 0.00 0.00 34.95 32.03 1rfa s ARG 111 CO 0.10 0.40 0.02 1.28 0.00 0.00 0.00 175.30 177.10 1rfa n LEU 112 N 0.05 0.00 -4.68 -0.88 4.77 -1.04 -4.88 117.00 110.34 1rfa n LEU 112 Ca -0.01 -0.87 -0.28 0.00 -0.03 0.00 0.00 56.01 54.82 1rfa n LEU 112 Cb 0.52 0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 1rfa n LEU 112 CO 0.46 -0.13 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.44 1rfa s ASP 113 N -1.72 4.91 0.00 -1.43 2.15 -1.26 -4.79 116.67 114.53 1rfa s ASP 113 Ca 0.03 -0.29 0.24 0.00 0.43 0.00 0.00 52.55 52.96 1rfa s ASP 113 Cb 0.00 -1.11 1.40 0.00 -0.30 0.00 0.00 42.92 42.91 1rfa s ASP 113 CO 0.02 0.13 1.82 0.79 -0.17 0.00 0.00 175.17 177.76 1rfa n TRP 114 N 0.18 0.00 -1.38 -5.34 5.03 -1.26 -0.41 117.44 114.27 1rfa n TRP 114 Ca -0.10 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.50 1rfa n TRP 114 Cb 0.54 0.00 0.17 0.00 -1.03 0.00 0.00 31.31 30.98 1rfa n TRP 114 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 1rfa n ASN 115 N -0.94 1.96 -4.78 -0.99 5.15 -1.26 -0.86 115.26 113.54 1rfa n ASN 115 Ca 0.18 -3.42 -0.34 0.00 -0.60 0.00 0.00 54.58 50.39 1rfa n ASN 115 Cb 0.08 -0.47 -0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1rfa n ASN 115 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1rfa s THR 116 N -2.90 3.44 -0.85 -0.44 2.01 0.46 -4.43 115.64 112.92 1rfa s THR 116 Ca 0.34 0.85 -0.25 0.00 0.31 0.00 0.00 61.69 62.93 1rfa s THR 116 Cb 0.32 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.52 1rfa s THR 116 CO -0.02 -0.24 1.46 -0.62 -0.69 0.00 0.00 174.62 174.51 1rfa s ASP 117 N -2.03 6.12 0.54 3.53 2.15 -1.26 -1.54 116.67 124.18 1rfa s ASP 117 Ca 0.69 -0.79 0.36 0.00 0.43 0.00 0.00 52.55 53.25 1rfa s ASP 117 Cb -0.20 -2.56 1.78 0.00 -0.30 0.00 0.00 42.92 41.63 1rfa s ASP 117 CO 0.27 -1.84 2.09 0.00 -0.17 0.00 0.00 175.17 175.52 1rfa h ALA 118 N 10.52 1.00 0.00 3.66 0.00 -1.91 0.35 119.26 132.89 1rfa h ALA 118 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rfa h ALA 118 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1rfa h ALA 118 CO 1.33 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.58 1rfa n ALA 119 N -2.01 2.49 0.42 0.00 0.00 -1.26 -0.94 120.51 119.20 1rfa n ALA 119 Ca -0.01 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.34 1rfa n ALA 119 Cb 0.16 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 1rfa n ALA 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rfa n SER 120 N -1.09 0.99 -1.42 0.00 7.64 0.12 -3.87 113.62 116.00 1rfa n SER 120 Ca 0.19 -0.50 0.09 0.00 1.01 0.00 0.00 58.87 59.66 1rfa n SER 120 Cb 0.13 1.31 0.33 0.00 -1.01 0.00 0.00 64.21 64.97 1rfa n SER 120 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rfa n LEU 121 N -1.66 4.47 -4.74 -3.43 7.99 -0.12 -4.98 117.00 114.53 1rfa n LEU 121 Ca 0.00 -2.43 -0.41 0.00 -0.01 0.00 0.00 56.01 53.16 1rfa n LEU 121 Cb 0.32 -0.54 -0.03 0.00 -0.11 0.00 0.00 43.42 43.06 1rfa n LEU 121 CO 0.33 0.80 0.98 -0.51 -1.51 0.00 0.00 177.39 177.48 1rfa s ILE 122 N -1.80 3.18 0.00 -0.08 1.10 -0.52 -2.64 121.20 120.44 1rfa s ILE 122 Ca 0.47 1.00 0.00 0.00 -0.51 0.00 0.00 60.65 61.61 1rfa s ILE 122 Cb 0.31 -3.64 0.00 0.00 0.15 0.00 0.00 42.46 39.28 1rfa s ILE 122 CO 0.23 0.16 0.00 0.61 -2.11 0.00 0.00 174.94 173.83 1rfa n GLY 123 N 2.18 0.83 0.00 1.50 0.00 0.83 -4.65 105.19 105.88 1rfa n GLY 123 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1rfa n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rfa n GLU 124 N -0.72 0.09 -4.75 1.61 -0.58 -1.08 -5.04 120.64 110.16 1rfa n GLU 124 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1rfa n GLU 124 Cb 0.39 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.12 1rfa n GLU 124 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1rfa s GLU 125 N 0.05 1.74 0.23 3.49 2.02 -1.26 -2.60 118.70 122.36 1rfa s GLU 125 Ca 0.00 -1.16 0.09 0.00 0.02 0.00 0.00 54.97 53.93 1rfa s GLU 125 Cb 0.00 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.20 1rfa s GLU 125 CO 0.00 0.50 -0.17 -0.51 0.02 0.00 0.00 175.26 175.10 1rfa s LEU 126 N -1.47 2.55 0.03 1.80 1.02 0.10 -2.28 118.68 120.44 1rfa s LEU 126 Ca 0.13 -1.00 -0.04 0.00 0.02 0.00 0.00 54.13 53.23 1rfa s LEU 126 Cb -0.10 -0.86 -0.02 0.00 0.02 0.00 0.00 46.19 45.24 1rfa s LEU 126 CO 0.03 -0.07 0.06 -1.58 0.02 0.00 0.00 176.35 174.81 1rfa s GLN 127 N -3.49 0.52 0.05 1.70 0.74 0.49 -0.01 119.66 119.67 1rfa s GLN 127 Ca 0.24 -0.74 0.08 0.00 0.05 0.00 0.00 55.36 55.00 1rfa s GLN 127 Cb -0.03 0.20 -0.03 0.00 1.10 0.00 0.00 33.01 34.25 1rfa s GLN 127 CO 0.10 -0.12 -0.20 0.08 -0.55 0.00 0.00 175.29 174.60 1rfa s VAL 128 N -2.37 2.62 0.00 1.34 1.01 -0.27 0.37 120.40 123.09 1rfa s VAL 128 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1rfa s VAL 128 Cb -0.03 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1rfa s VAL 128 CO -0.04 0.31 0.00 -0.67 0.00 0.00 0.00 175.10 174.71 1rfa n ASP 129 N 1.51 0.21 -4.04 3.32 -0.08 0.22 -3.37 116.55 114.32 1rfa n ASP 129 Ca -0.16 -0.40 -0.30 0.00 -1.51 0.00 0.00 54.79 52.42 1rfa n ASP 129 Cb 0.52 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.18 1rfa n ASP 129 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1rfa s PHE 130 N -1.23 1.24 0.00 -0.67 0.08 -1.26 -2.03 117.98 114.11 1rfa s PHE 130 Ca 0.00 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.45 1rfa s PHE 130 Cb 0.00 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.60 1rfa s PHE 130 CO 0.00 -3.08 0.00 1.28 -0.10 0.00 0.00 175.22 173.32 1rfa n LEU 131 N -4.12 0.00 0.00 -0.37 4.77 -1.26 -2.12 117.00 113.90 1rfa n LEU 131 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1rfa n LEU 131 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1rfa n LEU 131 CO 0.46 0.00 0.15 0.47 -1.33 0.00 0.00 177.39 177.14