#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 0.00 -4.15 -3.46 6.94 -1.26 -4.81 115.26 108.52 1rfa n ASN 56 Ca 0.00 -1.78 -0.16 0.00 -0.02 0.00 0.00 54.58 52.62 1rfa n ASN 56 Cb 0.00 -0.16 -0.11 0.00 -2.36 0.00 0.00 39.78 37.15 1rfa n ASN 56 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1rfa s THR 57 N 0.00 0.92 0.16 5.53 -4.23 -1.26 -2.43 115.64 114.33 1rfa s THR 57 Ca 0.00 -1.36 -0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1rfa s THR 57 Cb 0.00 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 1rfa s THR 57 CO 0.00 -0.37 0.14 -0.63 -0.54 0.00 0.00 174.62 173.23 1rfa s ILE 58 N -1.66 0.06 -0.06 2.99 1.09 -0.70 -0.83 121.20 122.10 1rfa s ILE 58 Ca -0.02 -1.82 0.05 0.00 -1.10 0.00 0.00 60.65 57.76 1rfa s ILE 58 Cb -0.08 -2.15 -0.02 0.00 -1.06 0.00 0.00 42.46 39.15 1rfa s ILE 58 CO 0.01 -0.28 -0.19 -0.13 -0.10 0.00 0.00 174.94 174.25 1rfa s ARG 59 N -4.06 2.56 -0.25 2.79 0.52 -1.22 -0.04 118.95 119.24 1rfa s ARG 59 Ca 0.27 -0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1rfa s ARG 59 Cb 0.06 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.27 1rfa s ARG 59 CO 0.05 0.49 -0.05 0.08 0.02 0.00 0.00 175.30 175.88 1rfa s VAL 60 N -0.40 2.96 0.01 3.52 1.01 0.97 0.14 120.40 128.60 1rfa s VAL 60 Ca 0.04 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1rfa s VAL 60 Cb -0.12 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1rfa s VAL 60 CO 0.02 0.20 0.34 -0.36 0.00 0.00 0.00 175.10 175.30 1rfa s PHE 61 N 1.34 3.64 0.64 5.22 0.40 -0.37 -1.04 117.98 127.82 1rfa s PHE 61 Ca 0.01 0.79 -0.09 0.00 -0.60 0.00 0.00 56.93 57.03 1rfa s PHE 61 Cb -0.17 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.22 1rfa s PHE 61 CO -0.04 0.61 1.01 -0.51 0.70 0.00 0.00 175.22 176.99 1rfa s LEU 62 N -1.45 3.09 -0.56 -0.37 2.01 0.38 -2.60 118.68 119.19 1rfa s LEU 62 Ca 0.26 1.02 -0.28 0.00 0.01 0.00 0.00 54.13 55.15 1rfa s LEU 62 Cb -0.15 -3.87 0.03 0.00 0.01 0.00 0.00 46.19 42.22 1rfa s LEU 62 CO 0.14 -1.14 1.14 -2.84 1.01 0.00 0.00 176.35 174.65 1rfa s PRO 63 N -5.18 3.50 0.00 1.29 0.02 -1.25 -3.18 135.00 130.20 1rfa s PRO 63 Ca 0.56 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.76 1rfa s PRO 63 Cb -0.11 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.40 1rfa s PRO 63 CO 0.49 -1.62 0.00 0.09 -0.33 0.00 0.00 177.00 175.64 1rfa n ASN 64 N 8.20 0.00 0.00 2.53 3.02 -1.26 -4.83 115.26 122.92 1rfa n ASN 64 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1rfa n ASN 64 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1rfa n ASN 64 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rfa n LYS 65 N -0.19 0.00 -0.28 3.52 4.01 -1.19 -5.12 118.16 118.92 1rfa n LYS 65 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1rfa n LYS 65 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1rfa n LYS 65 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1rfa n GLN 66 N 0.00 3.03 -3.65 1.97 1.13 -1.26 -4.71 117.38 113.89 1rfa n GLN 66 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1rfa n GLN 66 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 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 1.35 0.89 0.01 -1.09 3.03 -1.26 0.15 118.95 122.02 1rfa s ARG 67 Ca 0.00 -0.45 -0.29 0.00 2.03 0.00 0.00 55.73 57.03 1rfa s ARG 67 Cb 0.00 0.33 0.10 0.00 -1.03 0.00 0.00 34.95 34.36 1rfa s ARG 67 CO 0.00 -0.40 1.25 -0.08 -1.13 0.00 0.00 175.30 174.94 1rfa s THR 68 N -3.03 0.00 0.05 4.99 -1.32 -0.20 -4.91 115.64 111.23 1rfa s THR 68 Ca 0.10 -0.25 0.06 0.00 -1.21 0.00 0.00 61.69 60.40 1rfa s THR 68 Cb -0.00 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 1rfa s THR 68 CO -0.02 0.00 -0.13 0.54 -2.21 0.00 0.00 174.62 172.79 1rfa s VAL 69 N -2.26 3.16 0.18 5.08 0.11 -1.26 -0.02 120.40 125.38 1rfa s VAL 69 Ca 0.21 -1.13 0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1rfa s VAL 69 Cb 0.02 -2.39 -0.05 0.00 -1.53 0.00 0.00 36.38 32.43 1rfa s VAL 69 CO -0.02 0.28 -0.08 0.68 -3.33 0.00 0.00 175.10 172.63 1rfa s VAL 70 N -1.03 1.20 0.17 2.04 -7.23 0.94 -4.91 120.40 111.56 1rfa s VAL 70 Ca 0.17 -2.07 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1rfa s VAL 70 Cb -0.11 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1rfa s VAL 70 CO 0.08 -0.60 -0.15 0.20 -0.31 0.00 0.00 175.10 174.32 1rfa s ASN 71 N -3.23 3.98 -0.07 4.85 0.01 -1.26 -1.72 114.94 117.51 1rfa s ASN 71 Ca 0.21 -0.63 -0.02 0.00 -0.71 0.00 0.00 52.86 51.70 1rfa s ASN 71 Cb 0.03 -0.57 -0.04 0.00 0.41 0.00 0.00 41.25 41.08 1rfa s ASN 71 CO 0.04 0.13 0.05 -0.69 -1.51 0.00 0.00 177.10 175.11 1rfa s VAL 72 N -1.54 4.63 0.45 1.60 1.01 -1.02 -4.97 120.40 120.55 1rfa s VAL 72 Ca 0.22 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1rfa s VAL 72 Cb -0.09 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1rfa s VAL 72 CO 0.13 0.53 0.04 -0.60 0.00 0.00 0.00 175.10 175.20 1rfa s ARG 73 N -1.17 2.04 -0.61 2.72 6.06 -1.26 -4.99 118.95 121.73 1rfa s ARG 73 Ca 0.16 -2.25 -0.26 0.00 -2.50 0.00 0.00 55.73 50.88 1rfa s ARG 73 Cb -0.12 -1.24 0.04 0.00 0.06 0.00 0.00 34.95 33.69 1rfa s ARG 73 CO 0.06 -0.33 1.12 0.54 -2.50 0.00 0.00 175.30 174.19 1rfa s ASN 74 N -3.74 6.33 0.00 -2.12 4.22 -1.26 -2.23 114.94 116.13 1rfa s ASN 74 Ca 0.18 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.66 1rfa s ASN 74 Cb 0.04 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.06 1rfa s ASN 74 CO 0.09 -1.48 0.00 0.61 -2.04 0.00 0.00 177.10 174.29 1rfa n GLY 75 N 5.17 1.26 3.84 0.45 0.00 -1.26 -5.11 105.19 109.53 1rfa n GLY 75 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 4.06 -0.30 1.61 -1.94 -0.95 -4.94 119.30 116.84 1rfa s MET 76 Ca 0.00 0.81 -0.10 0.00 -1.71 0.00 0.00 55.69 54.69 1rfa s MET 76 Cb 0.00 -2.33 0.17 0.00 2.01 0.00 0.00 34.83 34.67 1rfa s MET 76 CO 0.00 0.06 0.84 -1.12 -0.01 0.00 0.00 175.02 174.80 1rfa s SER 77 N -2.34 -0.85 0.00 3.03 0.01 -1.26 -4.78 113.70 107.50 1rfa s SER 77 Ca 0.57 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1rfa s SER 77 Cb -0.10 1.85 0.00 0.00 0.21 0.00 0.00 66.02 67.99 1rfa s SER 77 CO 0.18 -0.16 0.00 0.18 0.41 0.00 0.00 173.24 173.84 1rfa n LEU 78 N 5.28 0.00 -0.17 2.44 7.99 -0.40 -0.33 117.00 131.81 1rfa n LEU 78 Ca -0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.86 1rfa n LEU 78 Cb 0.52 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.85 1rfa n LEU 78 CO -0.04 0.00 1.08 0.45 -1.51 0.00 0.00 177.39 177.37 1rfa h HIS 79 N 0.00 0.64 -0.01 -1.77 3.86 -1.63 1.73 115.15 117.98 1rfa h HIS 79 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1rfa h HIS 79 Cb 0.00 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1rfa h HIS 79 CO 0.00 0.41 -0.03 -0.25 0.86 0.00 0.00 177.93 178.92 1rfa n ASP 80 N -4.73 1.43 -0.00 2.45 9.92 0.55 -0.15 116.55 126.03 1rfa n ASP 80 Ca 0.03 -1.42 0.06 0.00 -0.53 0.00 0.00 54.79 52.92 1rfa n ASP 80 Cb 0.02 0.01 -0.08 0.00 -0.64 0.00 0.00 41.12 40.44 1rfa n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rfa n LEU 82 N -1.54 0.26 -0.38 0.00 7.99 0.57 -4.20 117.00 119.71 1rfa n LEU 82 Ca 0.01 -0.00 0.30 0.00 -0.01 0.00 0.00 56.01 56.30 1rfa n LEU 82 Cb 0.24 0.16 0.59 0.00 -0.11 0.00 0.00 43.42 44.30 1rfa n LEU 82 CO 0.25 0.25 1.24 -0.03 -1.51 0.00 0.00 177.39 177.59 1rfa h MET 83 N 0.00 0.22 0.17 3.23 1.85 -0.66 0.95 114.93 120.69 1rfa h MET 83 Ca -0.23 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1rfa h MET 83 Cb 1.51 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.45 1rfa h MET 83 CO 0.01 0.15 -0.41 -0.22 -0.40 0.00 0.00 176.91 176.03 1rfa h LYS 84 N 0.23 -0.62 -0.69 0.39 3.64 -1.77 0.80 116.57 118.55 1rfa h LYS 84 Ca 0.69 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 60.11 1rfa h LYS 84 Cb 2.04 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.97 1rfa h LYS 84 CO -0.32 -0.41 0.42 0.00 -2.27 0.00 0.00 179.45 176.87 1rfa h ALA 85 N -0.85 0.88 0.00 5.00 0.00 0.58 -1.83 119.26 123.04 1rfa h ALA 85 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rfa h ALA 85 Cb 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rfa h ALA 85 CO -0.18 0.35 -0.58 -0.07 0.00 0.00 0.00 179.25 178.77 1rfa h LEU 86 N 0.94 0.00 -0.33 0.00 3.38 -0.65 -2.79 115.31 115.86 1rfa h LEU 86 Ca 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1rfa h LEU 86 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1rfa h LEU 86 CO -0.05 0.06 0.18 0.50 0.09 0.00 0.00 178.44 179.22 1rfa h LYS 87 N 0.00 0.46 -0.57 1.13 3.11 0.14 1.44 116.57 122.30 1rfa h LYS 87 Ca 0.00 -0.06 0.08 0.00 -2.81 0.00 0.00 60.65 57.86 1rfa h LYS 87 Cb 0.84 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.94 1rfa h LYS 87 CO 0.00 0.39 0.38 0.28 -2.81 0.00 0.00 179.45 177.69 1rfa h VAL 88 N 0.41 0.93 0.04 2.00 2.07 -1.11 -2.88 116.25 117.73 1rfa h VAL 88 Ca 0.12 -0.15 -0.35 0.00 0.82 0.00 0.00 66.70 67.13 1rfa h VAL 88 Cb 0.07 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1rfa h VAL 88 CO -0.02 0.08 -2.11 0.54 0.02 0.00 0.00 177.57 176.08 1rfa n ARG 89 N -4.47 0.69 -0.28 1.57 5.12 -0.86 -4.98 116.66 113.46 1rfa n ARG 89 Ca 0.09 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 1rfa n ARG 89 Cb 0.31 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1rfa n ARG 89 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rfa n GLY 90 N 1.91 1.23 3.77 -0.13 0.00 0.44 -5.08 105.19 107.33 1rfa n GLY 90 Ca -0.32 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.08 3.15 -0.07 0.99 1.43 0.20 -5.01 118.68 119.28 1rfa s LEU 91 Ca 0.00 -1.03 0.05 0.00 -1.03 0.00 0.00 54.13 52.12 1rfa s LEU 91 Cb 0.00 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1rfa s LEU 91 CO 0.00 -0.58 -0.23 -1.10 0.23 0.00 0.00 176.35 174.67 1rfa s GLN 92 N -3.96 2.73 -0.00 1.70 -0.21 -1.26 -4.57 119.66 114.09 1rfa s GLN 92 Ca 0.42 -0.86 0.18 0.00 0.02 0.00 0.00 55.36 55.12 1rfa s GLN 92 Cb 0.02 -2.26 -0.20 0.00 1.00 0.00 0.00 33.01 31.58 1rfa s GLN 92 CO 0.23 0.35 0.75 -0.35 -2.12 0.00 0.00 175.29 174.16 1rfa n PRO 93 N 3.06 0.97 0.10 2.91 -0.04 -1.26 -4.21 135.00 136.52 1rfa n PRO 93 Ca -0.18 -0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.39 1rfa n PRO 93 Cb 0.52 -1.36 0.46 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.47 0.18 -0.36 0.54 4.71 -1.26 -1.37 120.64 121.61 1rfa n GLU 94 Ca 0.03 0.32 0.07 0.00 -0.01 0.00 0.00 57.16 57.57 1rfa n GLU 94 Cb 0.29 -1.79 0.23 0.00 -1.01 0.00 0.00 31.44 29.17 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 -3.35 2.57 0.45 0.00 0.00 -0.21 -4.53 121.76 116.68 1rfa s ALA 97 Ca 0.34 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.38 1rfa s ALA 97 Cb 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1rfa s ALA 97 CO 0.13 0.47 0.62 0.08 0.00 0.00 0.00 175.76 177.06 1rfa s VAL 98 N -0.42 3.01 0.13 0.00 1.01 -1.26 0.79 120.40 123.65 1rfa s VAL 98 Ca 0.05 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 1rfa s VAL 98 Cb -0.12 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.29 1rfa s VAL 98 CO 0.02 -0.02 0.76 -0.36 0.00 0.00 0.00 175.10 175.50 1rfa s PHE 99 N -2.45 -0.36 0.10 5.22 0.40 -0.41 -1.46 117.98 119.02 1rfa s PHE 99 Ca 0.55 0.11 0.04 0.00 -0.60 0.00 0.00 56.93 57.03 1rfa s PHE 99 Cb -0.10 0.59 -0.04 0.00 0.51 0.00 0.00 43.02 43.98 1rfa s PHE 99 CO 0.34 -0.82 0.05 -0.98 0.70 0.00 0.00 175.22 174.51 1rfa s ARG 100 N -3.52 2.72 0.84 0.44 1.70 0.13 -1.64 118.95 119.62 1rfa s ARG 100 Ca 0.06 -0.80 -0.14 0.00 -0.47 0.00 0.00 55.73 54.37 1rfa s ARG 100 Cb -0.02 -2.61 0.20 0.00 -0.57 0.00 0.00 34.95 31.95 1rfa s ARG 100 CO -0.06 0.54 0.97 1.28 -1.08 0.00 0.00 175.30 176.94 1rfa n LEU 101 N 0.35 0.00 -4.52 -1.89 4.77 0.11 -0.58 117.00 115.24 1rfa n LEU 101 Ca -0.09 -1.05 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 1rfa n LEU 101 Cb 0.52 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1rfa n LEU 101 CO 0.42 -1.51 1.32 -1.48 -1.33 0.00 0.00 177.39 174.81 1rfa s LEU 102 N 0.00 4.13 0.00 2.23 0.05 -1.26 -4.36 118.68 119.47 1rfa s LEU 102 Ca 0.58 -1.77 0.24 0.00 0.05 0.00 0.00 54.13 53.23 1rfa s LEU 102 Cb -0.03 -2.50 0.34 0.00 -2.05 0.00 0.00 46.19 41.95 1rfa s LEU 102 CO 0.42 -1.30 1.30 1.41 -0.55 0.00 0.00 176.35 177.63 1rfa n HIS 103 N 7.90 0.00 -2.29 3.48 8.25 -1.26 -4.20 115.22 127.11 1rfa n HIS 103 Ca 0.31 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.73 1rfa n HIS 103 Cb 0.50 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.83 0.50 -3.85 -0.41 0.00 -1.26 -5.12 120.64 109.67 1rfa n GLU 104 Ca 0.09 -1.28 -0.16 0.00 0.00 0.00 0.00 57.16 55.81 1rfa n GLU 104 Cb 0.37 0.33 -0.06 0.00 0.00 0.00 0.00 31.44 32.08 1rfa n GLU 104 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1rfa n HIS 105 N -0.45 -0.72 -3.87 -1.84 -0.00 -1.26 -5.16 115.22 101.91 1rfa n HIS 105 Ca -0.20 -2.32 -0.12 0.00 -0.00 0.00 0.00 57.72 55.08 1rfa n HIS 105 Cb 0.80 0.26 -0.13 0.00 -0.00 0.00 0.00 29.99 30.92 1rfa n HIS 105 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1rfa s LYS 106 N -3.10 0.07 0.00 -0.41 -0.14 -1.26 -4.81 119.74 110.10 1rfa s LYS 106 Ca 0.33 -0.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 1rfa s LYS 106 Cb 0.01 0.03 0.00 0.00 -1.68 0.00 0.00 37.83 36.19 1rfa s LYS 106 CO 0.23 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 1rfa n GLY 107 N 2.87 2.45 0.00 -3.33 0.00 -1.26 -4.87 105.19 101.05 1rfa n GLY 107 Ca -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 3.90 -3.73 1.61 4.76 -1.26 -5.09 118.16 118.36 1rfa n LYS 108 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1rfa n LYS 108 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 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 2.73 1.24 -0.18 1.97 1.02 -1.26 -4.08 119.74 121.18 1rfa s LYS 109 Ca 0.00 -0.85 -0.14 0.00 0.02 0.00 0.00 55.97 55.00 1rfa s LYS 109 Cb 0.00 0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 37.75 1rfa s LYS 109 CO 0.00 -0.51 0.30 0.00 -0.92 0.00 0.00 175.35 174.23 1rfa s ALA 110 N -3.86 3.58 -0.03 5.17 0.00 0.25 -4.94 121.76 121.93 1rfa s ALA 110 Ca 0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 1rfa s ALA 110 Cb 0.01 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1rfa s ALA 110 CO -0.06 -0.06 0.15 0.50 0.00 0.00 0.00 175.76 176.29 1rfa s ARG 111 N 0.80 3.35 0.43 0.00 3.00 -1.26 0.17 118.95 125.45 1rfa s ARG 111 Ca 0.16 -0.32 0.07 0.00 -1.00 0.00 0.00 55.73 54.64 1rfa s ARG 111 Cb -0.13 -3.06 -0.04 0.00 0.00 0.00 0.00 34.95 31.72 1rfa s ARG 111 CO 0.05 0.69 0.22 -0.51 0.00 0.00 0.00 175.30 175.75 1rfa s LEU 112 N -1.71 3.07 0.47 -0.88 1.02 -0.54 -4.91 118.68 115.20 1rfa s LEU 112 Ca 0.24 -1.08 0.03 0.00 0.02 0.00 0.00 54.13 53.33 1rfa s LEU 112 Cb -0.12 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.64 1rfa s LEU 112 CO 0.15 -0.64 0.67 -0.62 0.02 0.00 0.00 176.35 175.93 1rfa s ASP 113 N -3.98 5.62 0.00 2.29 2.15 -1.26 -4.63 116.67 116.86 1rfa s ASP 113 Ca 0.40 0.01 0.24 0.00 0.43 0.00 0.00 52.55 53.62 1rfa s ASP 113 Cb 0.02 -1.12 0.25 0.00 -0.30 0.00 0.00 42.92 41.78 1rfa s ASP 113 CO 0.22 -0.84 1.24 0.79 -0.17 0.00 0.00 175.17 176.41 1rfa n TRP 114 N -2.09 0.00 -0.68 -5.34 5.03 -1.26 -3.22 117.44 109.89 1rfa n TRP 114 Ca 0.05 0.00 0.09 0.00 3.03 0.00 0.00 57.50 60.66 1rfa n TRP 114 Cb 0.59 -0.08 0.35 0.00 -1.03 0.00 0.00 31.31 31.13 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 -0.78 4.74 -4.79 -0.99 5.15 -1.26 -1.80 115.26 115.53 1rfa n ASN 115 Ca 0.08 -2.55 -0.36 0.00 -0.60 0.00 0.00 54.58 51.16 1rfa n ASN 115 Cb 0.38 -0.57 -0.04 0.00 -0.53 0.00 0.00 39.78 39.02 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 -2.03 3.76 0.30 -0.44 2.01 -1.20 -4.81 115.64 113.23 1rfa s THR 116 Ca 0.49 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.76 1rfa s THR 116 Cb 0.33 -3.62 0.21 0.00 0.01 0.00 0.00 72.50 69.43 1rfa s THR 116 CO 0.21 -0.06 1.90 0.44 -0.69 0.00 0.00 174.62 176.42 1rfa h ASP 117 N 2.24 0.81 0.00 3.53 3.32 -1.91 -1.05 116.42 123.37 1rfa h ASP 117 Ca -0.49 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1rfa h ASP 117 Cb 1.22 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1rfa h ASP 117 CO 0.61 0.69 0.00 0.00 -1.72 0.00 0.00 179.24 178.83 1rfa n ALA 118 N -2.44 0.00 0.96 3.45 0.00 -1.26 -4.20 120.51 117.02 1rfa n ALA 118 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1rfa n ALA 118 Cb 0.13 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 3.16 0.76 0.00 0.00 -1.26 -2.08 120.51 121.09 1rfa n ALA 119 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1rfa n ALA 119 Cb 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.56 0.62 -1.00 0.00 7.64 -1.26 -3.39 113.62 114.67 1rfa n SER 120 Ca 0.06 -0.23 0.08 0.00 1.01 0.00 0.00 58.87 59.78 1rfa n SER 120 Cb 0.35 0.50 0.25 0.00 -1.01 0.00 0.00 64.21 64.30 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 -1.79 3.73 -4.73 -3.43 7.99 -0.88 -4.99 117.00 112.90 1rfa n LEU 121 Ca 0.04 -2.37 -0.42 0.00 -0.01 0.00 0.00 56.01 53.25 1rfa n LEU 121 Cb 0.39 -0.42 -0.03 0.00 -0.11 0.00 0.00 43.42 43.25 1rfa n LEU 121 CO 0.38 0.76 1.04 -0.51 -1.51 0.00 0.00 177.39 177.55 1rfa s ILE 122 N -1.68 3.17 0.00 -0.08 1.10 -0.95 -1.84 121.20 120.92 1rfa s ILE 122 Ca 0.37 0.90 0.00 0.00 -0.51 0.00 0.00 60.65 61.42 1rfa s ILE 122 Cb 0.24 -3.58 0.00 0.00 0.15 0.00 0.00 42.46 39.27 1rfa s ILE 122 CO 0.18 0.11 0.00 0.61 -2.11 0.00 0.00 174.94 173.72 1rfa n GLY 123 N 2.90 0.64 0.00 1.50 0.00 -0.01 -4.69 105.19 105.51 1rfa n GLY 123 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.36 3.25 -4.32 1.61 -0.58 -0.76 -5.04 120.64 112.44 1rfa n GLU 124 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1rfa n GLU 124 Cb 0.07 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.78 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 0.73 0.88 0.37 3.49 2.02 -1.26 -3.41 118.70 121.52 1rfa s GLU 125 Ca 0.00 -0.25 0.08 0.00 0.02 0.00 0.00 54.97 54.82 1rfa s GLU 125 Cb 0.00 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 1rfa s GLU 125 CO 0.00 0.07 0.17 -0.51 0.02 0.00 0.00 175.26 175.01 1rfa s LEU 126 N 0.31 3.22 0.07 1.80 1.02 0.37 0.07 118.68 125.54 1rfa s LEU 126 Ca -0.05 -0.87 -0.18 0.00 0.02 0.00 0.00 54.13 53.06 1rfa s LEU 126 Cb -0.09 -1.67 0.04 0.00 0.02 0.00 0.00 46.19 44.49 1rfa s LEU 126 CO 0.00 -0.40 0.43 -1.58 0.02 0.00 0.00 176.35 174.82 1rfa s GLN 127 N -3.88 1.00 0.14 1.70 0.74 -0.65 -1.24 119.66 117.46 1rfa s GLN 127 Ca 0.40 -0.46 0.08 0.00 0.05 0.00 0.00 55.36 55.43 1rfa s GLN 127 Cb -0.01 0.44 -0.04 0.00 1.10 0.00 0.00 33.01 34.51 1rfa s GLN 127 CO 0.23 -0.36 -0.11 0.08 -0.55 0.00 0.00 175.29 174.58 1rfa s VAL 128 N -2.93 3.21 0.00 1.34 1.01 -1.07 -1.29 120.40 120.67 1rfa s VAL 128 Ca -0.02 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.49 1rfa s VAL 128 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1rfa s VAL 128 CO -0.06 0.02 0.00 -0.67 0.00 0.00 0.00 175.10 174.39 1rfa n ASP 129 N 0.44 0.00 -4.63 3.32 -0.08 0.24 -3.85 116.55 111.99 1rfa n ASP 129 Ca -0.13 -0.10 -0.29 0.00 -1.51 0.00 0.00 54.79 52.77 1rfa n ASP 129 Cb 0.54 0.00 0.19 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 -1.86 1.99 -1.09 -0.67 0.08 -1.26 -1.04 117.98 114.12 1rfa s PHE 130 Ca 0.00 0.94 0.20 0.00 0.12 0.00 0.00 56.93 58.20 1rfa s PHE 130 Cb 0.00 -3.28 0.90 0.00 -0.57 0.00 0.00 43.02 40.08 1rfa s PHE 130 CO 0.00 -3.03 1.65 1.47 -0.10 0.00 0.00 175.22 175.22 1rfa n LEU 131 N -4.26 0.00 0.00 -0.37 -0.00 -1.23 -1.27 117.00 109.87 1rfa n LEU 131 Ca 0.05 0.46 0.06 0.00 -0.00 0.00 0.00 56.01 56.58 1rfa n LEU 131 Cb 0.57 -0.46 0.37 0.00 -0.00 0.00 0.00 43.42 43.91 1rfa n LEU 131 CO 0.57 -0.14 0.59 0.47 -0.00 0.00 0.00 177.39 178.88