#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 0.12 -3.96 -3.46 5.15 -1.26 -4.80 115.26 107.04 1rfa n ASN 56 Ca 0.00 -1.78 -0.16 0.00 -0.60 0.00 0.00 54.58 52.04 1rfa n ASN 56 Cb 0.00 -0.13 -0.14 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 0.43 0.08 -0.44 -4.23 -1.26 -2.71 115.64 107.51 1rfa s THR 57 Ca 0.07 -0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1rfa s THR 57 Cb 0.08 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 1rfa s THR 57 CO -0.04 0.10 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.45 1rfa s ILE 58 N -0.17 0.62 -0.16 2.99 1.09 -0.67 -0.03 121.20 124.86 1rfa s ILE 58 Ca 0.02 -1.80 -0.02 0.00 -1.10 0.00 0.00 60.65 57.75 1rfa s ILE 58 Cb -0.02 -1.51 -0.02 0.00 -1.06 0.00 0.00 42.46 39.85 1rfa s ILE 58 CO -0.00 -0.82 -0.08 -0.13 -0.10 0.00 0.00 174.94 173.81 1rfa s ARG 59 N -3.51 3.46 -0.06 2.79 0.52 -1.14 -1.12 118.95 119.89 1rfa s ARG 59 Ca 0.08 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.54 1rfa s ARG 59 Cb 0.03 -2.80 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 1rfa s ARG 59 CO -0.05 0.13 0.32 0.08 0.02 0.00 0.00 175.30 175.80 1rfa s VAL 60 N 0.61 5.21 -0.01 3.52 1.01 0.17 0.14 120.40 131.05 1rfa s VAL 60 Ca -0.05 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1rfa s VAL 60 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1rfa s VAL 60 CO 0.03 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.10 1rfa s PHE 61 N -0.75 1.91 0.51 5.22 0.40 -1.12 -0.11 117.98 124.05 1rfa s PHE 61 Ca 0.20 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1rfa s PHE 61 Cb -0.15 -1.22 0.02 0.00 0.51 0.00 0.00 43.02 42.18 1rfa s PHE 61 CO 0.09 -0.02 0.73 -0.51 0.70 0.00 0.00 175.22 176.21 1rfa s LEU 62 N -0.55 3.41 0.00 -0.37 2.01 0.36 -0.81 118.68 122.73 1rfa s LEU 62 Ca 0.08 0.06 0.29 0.00 0.01 0.00 0.00 54.13 54.57 1rfa s LEU 62 Cb -0.08 -2.95 1.21 0.00 0.01 0.00 0.00 46.19 44.37 1rfa s LEU 62 CO -0.01 -0.99 1.84 -2.65 1.01 0.00 0.00 176.35 175.56 1rfa n PRO 63 N -2.24 0.74 -0.59 1.29 -0.02 -1.21 -1.36 135.00 131.61 1rfa n PRO 63 Ca 0.06 -0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.32 1rfa n PRO 63 Cb 0.59 -1.49 0.28 0.00 -0.02 0.00 0.00 33.50 32.86 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 -0.90 4.18 0.00 2.55 5.15 -1.26 -4.84 115.26 120.14 1rfa n ASN 64 Ca 0.15 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.56 1rfa n ASN 64 Cb 0.28 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 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 0.54 -0.00 -0.94 1.20 4.76 -0.46 -4.98 118.16 118.27 1rfa n LYS 65 Ca 0.20 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.56 1rfa n LYS 65 Cb 0.86 -2.69 0.05 0.00 -1.84 0.00 0.00 35.03 31.41 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 -2.37 0.06 -3.68 1.97 1.13 -1.24 -4.65 117.38 108.59 1rfa n GLN 66 Ca 0.00 -0.74 -0.00 0.00 -1.94 0.00 0.00 57.00 54.31 1rfa n GLN 66 Cb 0.00 -0.29 -0.01 0.00 0.11 0.00 0.00 30.24 30.05 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 -3.50 0.71 -0.11 -1.09 3.03 -1.26 0.14 118.95 116.87 1rfa s ARG 67 Ca 0.21 -0.39 -0.32 0.00 2.03 0.00 0.00 55.73 57.26 1rfa s ARG 67 Cb -0.01 0.24 0.12 0.00 -1.03 0.00 0.00 34.95 34.27 1rfa s ARG 67 CO 0.15 -0.32 1.05 -0.08 -1.13 0.00 0.00 175.30 174.96 1rfa s THR 68 N -2.72 0.00 0.03 4.99 -1.32 0.85 -4.92 115.64 112.56 1rfa s THR 68 Ca 0.14 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.58 1rfa s THR 68 Cb 0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 1rfa s THR 68 CO -0.01 0.00 0.25 0.54 -2.21 0.00 0.00 174.62 173.19 1rfa s VAL 69 N -2.62 5.33 0.09 5.08 0.11 -1.26 0.42 120.40 127.56 1rfa s VAL 69 Ca 0.07 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1rfa s VAL 69 Cb -0.01 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1rfa s VAL 69 CO -0.06 0.26 -0.05 0.68 -3.33 0.00 0.00 175.10 172.60 1rfa s VAL 70 N -1.40 0.57 0.25 2.04 -7.23 -0.28 -4.91 120.40 109.43 1rfa s VAL 70 Ca 0.31 -1.91 0.12 0.00 -1.81 0.00 0.00 61.98 58.69 1rfa s VAL 70 Cb -0.13 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1rfa s VAL 70 CO 0.20 -0.86 -0.20 0.20 -0.31 0.00 0.00 175.10 174.13 1rfa s ASN 71 N -3.02 3.61 0.45 4.85 0.01 -1.26 -1.68 114.94 117.90 1rfa s ASN 71 Ca 0.12 -0.94 0.05 0.00 -0.71 0.00 0.00 52.86 51.38 1rfa s ASN 71 Cb 0.06 -0.33 -0.05 0.00 0.41 0.00 0.00 41.25 41.34 1rfa s ASN 71 CO -0.05 0.07 0.06 0.54 -1.51 0.00 0.00 177.10 176.20 1rfa s VAL 72 N -2.18 1.76 0.34 1.60 0.11 -1.10 -4.96 120.40 115.97 1rfa s VAL 72 Ca 0.27 -1.92 -0.11 0.00 -2.93 0.00 0.00 61.98 57.28 1rfa s VAL 72 Cb -0.06 -2.68 0.02 0.00 -1.53 0.00 0.00 36.38 32.13 1rfa s VAL 72 CO 0.13 0.00 0.63 -0.13 -3.33 0.00 0.00 175.10 172.40 1rfa s ARG 73 N -3.83 1.98 -0.31 1.54 1.81 -1.26 -4.99 118.95 113.89 1rfa s ARG 73 Ca 0.27 -1.47 -0.29 0.00 -1.72 0.00 0.00 55.73 52.51 1rfa s ARG 73 Cb 0.06 0.54 0.01 0.00 -0.45 0.00 0.00 34.95 35.10 1rfa s ARG 73 CO 0.14 -0.88 1.22 -0.80 -0.68 0.00 0.00 175.30 174.30 1rfa s ASN 74 N -3.10 6.76 0.00 0.23 -0.87 -1.26 -1.60 114.94 115.09 1rfa s ASN 74 Ca 0.21 1.13 0.00 0.00 -1.57 0.00 0.00 52.86 52.63 1rfa s ASN 74 Cb -0.03 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 1rfa s ASN 74 CO 0.14 -1.02 0.00 0.61 -2.57 0.00 0.00 177.10 174.26 1rfa n GLY 75 N 4.19 1.68 3.89 0.66 0.00 -1.26 -5.09 105.19 109.26 1rfa n GLY 75 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.08 3.25 0.38 1.61 -1.94 -0.63 -5.08 119.30 116.81 1rfa s MET 76 Ca 0.00 0.35 0.04 0.00 -1.71 0.00 0.00 55.69 54.37 1rfa s MET 76 Cb 0.00 -2.19 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 1rfa s MET 76 CO 0.00 -0.62 0.12 -1.12 -0.01 0.00 0.00 175.02 173.40 1rfa s SER 77 N -4.23 2.54 0.11 3.03 0.01 -1.26 -4.74 113.70 109.15 1rfa s SER 77 Ca 0.53 -1.61 -0.27 0.00 1.31 0.00 0.00 55.95 55.92 1rfa s SER 77 Cb -0.11 0.40 -0.09 0.00 0.21 0.00 0.00 66.02 66.42 1rfa s SER 77 CO 0.49 -0.88 1.65 -0.07 0.41 0.00 0.00 173.24 174.85 1rfa h LEU 78 N 1.90 -0.62 -0.50 2.44 -0.00 -1.10 1.01 115.31 118.45 1rfa h LEU 78 Ca -0.36 0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.55 1rfa h LEU 78 Cb 1.27 0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 42.14 1rfa h LEU 78 CO 0.58 -0.31 0.15 0.45 -0.00 0.00 0.00 178.44 179.30 1rfa h HIS 79 N -0.43 0.81 0.00 1.13 3.86 -0.90 1.06 115.15 120.68 1rfa h HIS 79 Ca 0.02 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1rfa h HIS 79 Cb 0.44 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1rfa h HIS 79 CO -0.20 0.71 -0.10 -0.44 0.86 0.00 0.00 177.93 178.76 1rfa h ASP 80 N 0.68 0.00 0.66 2.45 3.32 -1.72 0.74 116.42 122.55 1rfa h ASP 80 Ca 0.16 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.94 1rfa h ASP 80 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1rfa h ASP 80 CO -0.00 0.10 -1.33 0.00 -1.72 0.00 0.00 179.24 176.28 1rfa n LEU 82 N -3.38 0.00 -0.30 0.00 4.77 0.35 -3.67 117.00 114.77 1rfa n LEU 82 Ca -0.10 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1rfa n LEU 82 Cb 1.01 0.30 0.27 0.00 -2.33 0.00 0.00 43.42 42.67 1rfa n LEU 82 CO 0.49 0.30 1.06 -0.03 -1.33 0.00 0.00 177.39 177.89 1rfa h MET 83 N 0.00 0.47 -0.52 3.23 1.85 0.38 0.41 114.93 120.74 1rfa h MET 83 Ca -0.33 -0.03 0.10 0.00 -0.61 0.00 0.00 59.70 58.83 1rfa h MET 83 Cb 1.75 -0.11 -0.11 0.00 0.43 0.00 0.00 31.60 33.57 1rfa h MET 83 CO 0.02 0.31 -0.30 -0.22 -0.40 0.00 0.00 176.91 176.32 1rfa h LYS 84 N 0.48 -0.16 -0.12 0.39 1.63 -1.63 1.64 116.57 118.81 1rfa h LYS 84 Ca 0.52 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1rfa h LYS 84 Cb 0.89 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1rfa h LYS 84 CO -0.46 -0.11 0.00 0.00 -3.45 0.00 0.00 179.45 175.43 1rfa n ALA 85 N -3.07 2.53 0.00 5.00 0.00 0.14 -2.13 120.51 122.98 1rfa n ALA 85 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1rfa n ALA 85 Cb 0.34 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1rfa n ALA 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rfa n LEU 86 N -0.11 0.22 -0.32 0.00 4.77 -0.42 -4.45 117.00 116.70 1rfa n LEU 86 Ca 0.13 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1rfa n LEU 86 Cb 0.20 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.43 1rfa n LEU 86 CO 0.10 0.04 1.20 0.50 -1.33 0.00 0.00 177.39 177.90 1rfa h LYS 87 N 0.00 0.97 0.00 3.23 3.11 0.23 1.54 116.57 125.66 1rfa h LYS 87 Ca 0.00 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1rfa h LYS 87 Cb 0.25 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1rfa h LYS 87 CO 0.00 0.65 -0.04 -0.24 -2.81 0.00 0.00 179.45 177.01 1rfa h VAL 88 N 1.00 0.12 0.03 2.00 3.04 -1.58 -2.77 116.25 118.09 1rfa h VAL 88 Ca 0.38 -0.48 -0.29 0.00 -1.01 0.00 0.00 66.70 65.30 1rfa h VAL 88 Cb 0.17 1.42 -0.04 0.00 -2.01 0.00 0.00 31.29 30.83 1rfa h VAL 88 CO -0.17 0.04 -1.61 0.54 -1.01 0.00 0.00 177.57 175.35 1rfa n ARG 89 N -3.18 0.62 0.00 4.17 1.74 -0.42 -4.99 116.66 114.59 1rfa n ARG 89 Ca -0.00 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1rfa n ARG 89 Cb 0.26 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 1.57 1.66 3.85 -0.13 0.00 0.47 -5.07 105.19 107.54 1rfa n GLY 90 Ca -0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 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 2.76 -0.04 0.99 1.43 0.18 -4.99 118.68 119.02 1rfa s LEU 91 Ca 0.00 -1.24 0.03 0.00 -1.03 0.00 0.00 54.13 51.89 1rfa s LEU 91 Cb 0.00 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1rfa s LEU 91 CO 0.00 -0.93 -0.12 -1.10 0.23 0.00 0.00 176.35 174.43 1rfa s GLN 92 N -4.14 2.52 -0.01 1.70 -0.21 -1.26 -4.37 119.66 113.89 1rfa s GLN 92 Ca 0.32 -0.70 0.14 0.00 0.02 0.00 0.00 55.36 55.14 1rfa s GLN 92 Cb -0.01 -2.42 -0.19 0.00 1.00 0.00 0.00 33.01 31.39 1rfa s GLN 92 CO 0.19 0.62 0.39 -0.35 -2.12 0.00 0.00 175.29 174.02 1rfa n PRO 93 N 2.09 1.09 0.08 2.91 -0.04 -1.26 -4.36 135.00 135.52 1rfa n PRO 93 Ca -0.17 -0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1rfa n PRO 93 Cb 0.52 -1.27 0.45 0.00 -0.04 0.00 0.00 33.50 33.17 1rfa n PRO 93 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rfa n GLU 94 N -1.77 0.15 -0.75 0.54 4.71 -1.26 -1.29 120.64 120.97 1rfa n GLU 94 Ca -0.01 0.28 0.01 0.00 -0.01 0.00 0.00 57.16 57.43 1rfa n GLU 94 Cb 0.31 -1.73 0.28 0.00 -1.01 0.00 0.00 31.44 29.29 1rfa n GLU 94 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rfa s ALA 97 N -3.72 2.27 0.22 0.00 0.00 -0.03 -4.44 121.76 116.05 1rfa s ALA 97 Ca 0.33 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1rfa s ALA 97 Cb 0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1rfa s ALA 97 CO 0.10 0.46 0.14 0.54 0.00 0.00 0.00 175.76 177.00 1rfa s VAL 98 N -0.34 4.32 0.13 0.00 0.11 -1.26 0.11 120.40 123.47 1rfa s VAL 98 Ca 0.02 -1.34 -0.06 0.00 -2.93 0.00 0.00 61.98 57.66 1rfa s VAL 98 Cb -0.12 -3.28 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1rfa s VAL 98 CO 0.02 -0.25 0.18 -0.36 -3.33 0.00 0.00 175.10 171.36 1rfa s PHE 99 N -1.99 0.47 -0.11 1.54 0.40 0.18 -2.48 117.98 115.99 1rfa s PHE 99 Ca 0.32 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.74 1rfa s PHE 99 Cb -0.09 -0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 1rfa s PHE 99 CO 0.23 -0.61 0.06 0.50 0.70 0.00 0.00 175.22 176.11 1rfa s ARG 100 N -3.96 3.25 0.70 0.44 3.52 0.26 -1.05 118.95 122.11 1rfa s ARG 100 Ca 0.15 -0.30 -0.12 0.00 -0.13 0.00 0.00 55.73 55.34 1rfa s ARG 100 Cb 0.05 -2.98 0.16 0.00 -1.56 0.00 0.00 34.95 30.62 1rfa s ARG 100 CO -0.03 0.69 0.95 1.28 -0.81 0.00 0.00 175.30 177.39 1rfa n LEU 101 N 2.21 0.00 -4.56 -0.88 4.77 -1.00 -0.18 117.00 117.36 1rfa n LEU 101 Ca -0.19 -1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 54.32 1rfa n LEU 101 Cb 0.54 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1rfa n LEU 101 CO 0.30 -1.18 1.50 -1.48 -1.33 0.00 0.00 177.39 175.20 1rfa s LEU 102 N 0.00 3.59 -0.19 2.23 -0.00 -1.26 -4.38 118.68 118.67 1rfa s LEU 102 Ca 0.54 -1.56 0.12 0.00 -0.00 0.00 0.00 54.13 53.23 1rfa s LEU 102 Cb -0.01 -2.56 -0.20 0.00 -0.00 0.00 0.00 46.19 43.41 1rfa s LEU 102 CO 0.38 -1.46 -0.01 1.41 -0.00 0.00 0.00 176.35 176.67 1rfa n HIS 103 N 8.75 0.00 -2.08 3.48 8.25 -1.26 -4.41 115.22 127.95 1rfa n HIS 103 Ca 0.34 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.84 1rfa n HIS 103 Cb 0.51 -0.87 0.09 0.00 1.12 0.00 0.00 29.99 30.83 1rfa n HIS 103 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1rfa n GLU 104 N -2.79 0.59 -4.21 -0.41 4.71 -1.26 -5.06 120.64 112.20 1rfa n GLU 104 Ca -0.32 -2.36 -0.17 0.00 -0.01 0.00 0.00 57.16 54.30 1rfa n GLU 104 Cb 1.03 -0.66 -0.11 0.00 -1.01 0.00 0.00 31.44 30.69 1rfa n GLU 104 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1rfa s HIS 105 N -1.21 1.28 -0.09 -0.32 3.76 -1.26 -5.13 115.29 112.32 1rfa s HIS 105 Ca 0.32 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 1rfa s HIS 105 Cb 0.34 -0.68 0.02 0.00 1.11 0.00 0.00 32.58 33.37 1rfa s HIS 105 CO -0.11 0.09 -0.08 0.21 -0.85 0.00 0.00 174.74 174.00 1rfa s LYS 106 N -2.58 1.44 0.00 1.40 2.47 -1.26 -4.72 119.74 116.49 1rfa s LYS 106 Ca 0.06 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.21 1rfa s LYS 106 Cb -0.05 -1.39 0.00 0.00 -1.46 0.00 0.00 37.83 34.93 1rfa s LYS 106 CO 0.02 -0.14 0.00 0.41 0.16 0.00 0.00 175.35 175.80 1rfa n GLY 107 N 4.45 3.03 0.00 5.54 0.00 -1.26 -4.93 105.19 112.03 1rfa n GLY 107 Ca -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1rfa n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rfa n LYS 108 N 0.00 3.92 -3.83 1.61 4.76 -1.26 -5.14 118.16 118.22 1rfa n LYS 108 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1rfa n LYS 108 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1rfa n LYS 108 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rfa s LYS 109 N 1.65 0.27 -0.36 1.97 1.02 -1.26 -4.38 119.74 118.64 1rfa s LYS 109 Ca 0.00 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 55.80 1rfa s LYS 109 Cb 0.00 0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1rfa s LYS 109 CO 0.00 -0.04 1.06 0.00 -0.92 0.00 0.00 175.35 175.45 1rfa s ALA 110 N -0.24 3.41 0.11 5.17 0.00 0.74 -4.92 121.76 126.05 1rfa s ALA 110 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 1rfa s ALA 110 Cb -0.03 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1rfa s ALA 110 CO 0.01 -1.66 0.43 0.50 0.00 0.00 0.00 175.76 175.03 1rfa s ARG 111 N 3.79 3.76 0.00 0.00 3.00 -1.26 0.92 118.95 129.16 1rfa s ARG 111 Ca 0.45 0.16 0.00 0.00 -1.00 0.00 0.00 55.73 55.34 1rfa s ARG 111 Cb -0.11 -2.92 0.00 0.00 0.00 0.00 0.00 34.95 31.92 1rfa s ARG 111 CO 0.19 0.51 0.00 1.28 0.00 0.00 0.00 175.30 177.28 1rfa n LEU 112 N 0.62 0.00 -3.97 -0.88 4.77 -1.03 -4.85 117.00 111.65 1rfa n LEU 112 Ca -0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1rfa n LEU 112 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1rfa n LEU 112 CO 0.44 0.00 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.58 1rfa s ASP 113 N 0.54 0.23 0.00 -1.43 2.15 -1.26 -4.94 116.67 111.96 1rfa s ASP 113 Ca 0.00 -0.54 0.22 0.00 0.43 0.00 0.00 52.55 52.66 1rfa s ASP 113 Cb 0.00 0.16 1.12 0.00 -0.30 0.00 0.00 42.92 43.90 1rfa s ASP 113 CO 0.00 -0.40 1.69 0.79 -0.17 0.00 0.00 175.17 177.08 1rfa n TRP 114 N 1.17 0.00 -1.14 -5.34 5.03 -1.26 -0.12 117.44 115.79 1rfa n TRP 114 Ca -0.21 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.39 1rfa n TRP 114 Cb 0.57 -0.24 0.20 0.00 -1.03 0.00 0.00 31.31 30.80 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 -1.24 2.91 -4.78 -0.99 5.15 -1.26 -0.24 115.26 114.81 1rfa n ASN 115 Ca 0.11 -3.23 -0.35 0.00 -0.60 0.00 0.00 54.58 50.51 1rfa n ASN 115 Cb 0.16 -0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.87 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 -2.94 3.47 -0.80 -0.44 2.01 0.84 -4.42 115.64 113.35 1rfa s THR 116 Ca 0.38 0.98 -0.26 0.00 0.31 0.00 0.00 61.69 63.10 1rfa s THR 116 Cb 0.33 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 69.43 1rfa s THR 116 CO 0.04 -0.13 1.40 -1.81 -0.69 0.00 0.00 174.62 173.43 1rfa s ASP 117 N -1.74 6.11 0.22 3.53 1.11 -1.26 -0.93 116.67 123.72 1rfa s ASP 117 Ca 0.67 -0.61 0.19 0.00 0.18 0.00 0.00 52.55 52.98 1rfa s ASP 117 Cb -0.22 -2.56 0.90 0.00 1.07 0.00 0.00 42.92 42.12 1rfa s ASP 117 CO 0.26 -1.85 1.59 0.00 1.18 0.00 0.00 175.17 176.35 1rfa n ALA 118 N 9.79 1.39 1.20 5.23 0.00 -1.26 0.33 120.51 137.18 1rfa n ALA 118 Ca 0.13 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1rfa n ALA 118 Cb 0.50 -1.31 0.64 0.00 0.00 0.00 0.00 19.45 19.28 1rfa n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfa n ALA 119 N -1.72 2.27 0.30 0.00 0.00 -1.26 -1.05 120.51 119.06 1rfa n ALA 119 Ca 0.01 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1rfa n ALA 119 Cb 0.13 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.27 0.51 -1.30 0.00 7.64 0.15 -3.87 113.62 115.49 1rfa n SER 120 Ca 0.12 -0.32 0.08 0.00 1.01 0.00 0.00 58.87 59.76 1rfa n SER 120 Cb 0.19 1.63 0.31 0.00 -1.01 0.00 0.00 64.21 65.33 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 -1.97 4.47 -4.74 -3.43 7.99 -0.22 -4.99 117.00 114.11 1rfa n LEU 121 Ca -0.01 -2.71 -0.41 0.00 -0.01 0.00 0.00 56.01 52.86 1rfa n LEU 121 Cb 0.46 -0.55 -0.03 0.00 -0.11 0.00 0.00 43.42 43.19 1rfa n LEU 121 CO 0.42 0.71 0.92 -0.51 -1.51 0.00 0.00 177.39 177.42 1rfa s ILE 122 N -2.31 3.32 0.00 -0.08 1.10 -0.30 -2.85 121.20 120.08 1rfa s ILE 122 Ca 0.45 1.16 0.00 0.00 -0.51 0.00 0.00 60.65 61.75 1rfa s ILE 122 Cb 0.33 -3.74 0.00 0.00 0.15 0.00 0.00 42.46 39.20 1rfa s ILE 122 CO 0.16 0.20 0.00 0.61 -2.11 0.00 0.00 174.94 173.80 1rfa n GLY 123 N 1.94 0.80 0.00 1.50 0.00 0.96 -4.63 105.19 105.75 1rfa n GLY 123 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.74 0.50 -5.14 1.61 -0.58 -1.13 -5.03 120.64 110.13 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 0.41 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.11 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 -0.14 2.58 0.47 3.49 2.02 -1.26 -2.89 118.70 122.97 1rfa s GLU 125 Ca 0.00 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.24 1rfa s GLU 125 Cb 0.00 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 32.16 1rfa s GLU 125 CO 0.00 0.26 0.42 -0.51 0.02 0.00 0.00 175.26 175.45 1rfa s LEU 126 N 0.12 3.14 0.10 1.80 1.43 0.38 -2.38 118.68 123.26 1rfa s LEU 126 Ca -0.10 -0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 51.86 1rfa s LEU 126 Cb -0.15 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.40 1rfa s LEU 126 CO 0.06 -0.86 0.51 -1.58 0.23 0.00 0.00 176.35 174.71 1rfa s GLN 127 N -4.22 1.11 0.04 1.70 0.74 -0.22 -2.79 119.66 116.02 1rfa s GLN 127 Ca 0.45 -0.42 0.07 0.00 0.05 0.00 0.00 55.36 55.52 1rfa s GLN 127 Cb -0.03 0.50 -0.02 0.00 1.10 0.00 0.00 33.01 34.56 1rfa s GLN 127 CO 0.27 -0.43 -0.21 0.08 -0.55 0.00 0.00 175.29 174.45 1rfa s VAL 128 N -3.14 1.67 0.00 1.34 1.01 0.01 0.49 120.40 121.78 1rfa s VAL 128 Ca -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1rfa s VAL 128 Cb -0.00 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1rfa s VAL 128 CO -0.07 0.21 0.00 -0.67 0.00 0.00 0.00 175.10 174.57 1rfa n ASP 129 N 1.87 0.00 -4.82 3.32 -0.08 0.30 -3.30 116.55 113.85 1rfa n ASP 129 Ca -0.17 -0.22 -0.31 0.00 -1.51 0.00 0.00 54.79 52.58 1rfa n ASP 129 Cb 0.53 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.06 1rfa n ASP 129 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1rfa s PHE 130 N -1.41 3.02 0.16 -0.67 -0.12 -1.26 -0.85 117.98 116.85 1rfa s PHE 130 Ca 0.00 1.30 -0.30 0.00 -0.05 0.00 0.00 56.93 57.88 1rfa s PHE 130 Cb 0.00 -2.97 -0.07 0.00 -0.63 0.00 0.00 43.02 39.34 1rfa s PHE 130 CO 0.00 -1.43 1.13 -0.48 -0.05 0.00 0.00 175.22 174.39 1rfa s LEU 131 N -5.62 4.46 0.00 -1.99 0.05 -1.18 -2.48 118.68 111.92 1rfa s LEU 131 Ca 0.59 2.09 0.17 0.00 0.05 0.00 0.00 54.13 57.03 1rfa s LEU 131 Cb -0.14 -3.60 0.13 0.00 -2.05 0.00 0.00 46.19 40.53 1rfa s LEU 131 CO 0.55 -0.28 1.03 -0.90 -0.55 0.00 0.00 176.35 176.20