#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e3i s ASP 57 N 0.00 5.24 0.34 -2.24 -0.00 -1.26 -5.02 116.67 113.73 2e3i s ASP 57 Ca 0.00 1.20 -0.28 0.00 -0.00 0.00 0.00 52.55 53.48 2e3i s ASP 57 Cb 0.00 -2.00 -0.09 0.00 -0.00 0.00 0.00 42.92 40.83 2e3i s ASP 57 CO 0.00 -1.48 1.18 -0.36 -0.00 0.00 0.00 175.17 174.51 2e3i s PHE 58 N -3.29 3.25 0.14 4.23 0.40 -1.26 -5.06 117.98 116.39 2e3i s PHE 58 Ca 0.59 1.56 0.05 0.00 -0.60 0.00 0.00 56.93 58.53 2e3i s PHE 58 Cb -0.12 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 39.93 2e3i s PHE 58 CO 0.53 -1.20 -0.12 1.03 0.70 0.00 0.00 175.22 176.16 2e3i s ARG 59 N -1.85 1.06 0.16 0.44 3.00 -1.26 -5.11 118.95 115.39 2e3i s ARG 59 Ca 0.50 -1.37 -0.32 0.00 0.00 0.00 0.00 55.73 54.54 2e3i s ARG 59 Cb -0.34 -0.76 -0.10 0.00 0.00 0.00 0.00 34.95 33.75 2e3i s ARG 59 CO 0.44 0.12 1.55 0.08 0.00 0.00 0.00 175.30 177.49 2e3i s VAL 60 N -2.82 2.68 0.00 3.52 1.01 -1.26 -2.31 120.40 121.22 2e3i s VAL 60 Ca 0.14 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2e3i s VAL 60 Cb -0.01 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2e3i s VAL 60 CO 0.02 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2e3i n GLY 61 N 3.71 1.51 3.75 4.51 0.00 0.15 -5.00 105.19 113.82 2e3i n GLY 61 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2e3i n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e3i s GLU 62 N -0.72 4.60 -0.21 1.61 2.02 -0.98 -4.62 118.70 120.40 2e3i s GLU 62 Ca 0.00 1.78 -0.29 0.00 0.02 0.00 0.00 54.97 56.48 2e3i s GLU 62 Cb 0.00 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 2e3i s GLU 62 CO 0.00 0.12 1.49 0.50 0.02 0.00 0.00 175.26 177.39 2e3i s ARG 63 N -0.88 3.93 0.15 1.61 6.06 -1.26 -1.47 118.95 127.10 2e3i s ARG 63 Ca 0.47 1.62 0.02 0.00 -2.50 0.00 0.00 55.73 55.35 2e3i s ARG 63 Cb -0.31 -3.95 -0.04 0.00 0.06 0.00 0.00 34.95 30.70 2e3i s ARG 63 CO 0.38 -1.11 -0.04 0.14 -2.50 0.00 0.00 175.30 172.17 2e3i s VAL 64 N 4.61 0.80 -0.23 7.11 -7.23 -0.34 -4.68 120.40 120.44 2e3i s VAL 64 Ca 0.65 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2e3i s VAL 64 Cb -0.23 -1.95 0.04 0.00 0.56 0.00 0.00 36.38 34.80 2e3i s VAL 64 CO 0.26 -0.64 -0.14 0.26 -0.31 0.00 0.00 175.10 174.53 2e3i s TRP 65 N -3.57 3.09 -0.16 2.82 0.52 -0.00 -0.88 118.94 120.76 2e3i s TRP 65 Ca 0.19 -2.06 -0.29 0.00 0.02 0.00 0.00 56.10 53.96 2e3i s TRP 65 Cb 0.05 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 2e3i s TRP 65 CO 0.01 -0.85 1.29 0.08 0.02 0.00 0.00 176.95 177.50 2e3i s VAL 66 N 1.18 4.23 -0.64 4.03 1.01 0.70 -2.19 120.40 128.72 2e3i s VAL 66 Ca -0.04 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2e3i s VAL 66 Cb -0.17 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2e3i s VAL 66 CO -0.08 -0.13 0.00 0.59 0.00 0.00 0.00 175.10 175.48 2e3i n ASN 67 N 6.64 -5.05 0.00 3.32 3.02 -0.94 -1.75 115.26 120.50 2e3i n ASN 67 Ca 0.14 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2e3i n ASN 67 Cb 0.45 -3.09 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 2e3i n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e3i n GLY 68 N -0.48 1.26 0.00 7.41 0.00 -1.11 -4.86 105.19 107.41 2e3i n GLY 68 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2e3i n GLY 68 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2e3i n ASN 69 N 0.00 0.84 -4.24 1.61 6.94 -1.04 -1.16 115.26 118.21 2e3i n ASN 69 Ca 0.00 -0.16 -0.39 0.00 -0.02 0.00 0.00 54.58 54.01 2e3i n ASN 69 Cb 0.00 0.48 -0.10 0.00 -2.36 0.00 0.00 39.78 37.80 2e3i n ASN 69 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2e3i s LYS 70 N -0.65 2.50 0.40 -3.83 1.02 -0.72 -4.92 119.74 113.54 2e3i s LYS 70 Ca 0.00 -1.53 -0.25 0.00 0.02 0.00 0.00 55.97 54.20 2e3i s LYS 70 Cb 0.00 -3.73 -0.08 0.00 -0.52 0.00 0.00 37.83 33.49 2e3i s LYS 70 CO 0.00 -0.98 1.17 -1.25 -0.92 0.00 0.00 175.35 173.37 2e3i s PRO 71 N 1.37 4.06 0.00 -1.68 0.04 -1.26 -0.21 135.00 137.32 2e3i s PRO 71 Ca 0.04 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2e3i s PRO 71 Cb -0.23 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2e3i s PRO 71 CO 0.01 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2e3i n GLY 72 N 0.63 0.53 3.15 0.56 0.00 -0.06 -2.17 105.19 107.84 2e3i n GLY 72 Ca 0.04 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2e3i n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e3i s PHE 73 N -2.43 1.44 -0.00 1.61 0.40 -0.50 -1.20 117.98 117.30 2e3i s PHE 73 Ca 0.00 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 2e3i s PHE 73 Cb 0.00 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 2e3i s PHE 73 CO 0.00 0.00 1.22 0.42 0.70 0.00 0.00 175.22 177.56 2e3i s ILE 74 N -0.51 4.11 -0.04 0.64 1.01 -0.54 -1.09 121.20 124.78 2e3i s ILE 74 Ca 0.06 1.48 0.05 0.00 0.00 0.00 0.00 60.65 62.23 2e3i s ILE 74 Cb -0.07 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 2e3i s ILE 74 CO 0.00 0.05 0.12 0.00 0.00 0.00 0.00 174.94 175.10 2e3i n GLN 75 N 4.70 1.05 -3.84 2.79 1.13 0.70 0.32 117.38 124.23 2e3i n GLN 75 Ca 0.10 -0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 55.01 2e3i n GLN 75 Cb 0.46 -1.04 -0.12 0.00 0.11 0.00 0.00 30.24 29.65 2e3i n GLN 75 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2e3i s PHE 76 N -2.17 -0.10 -0.29 1.08 5.36 -0.81 -4.90 117.98 116.15 2e3i s PHE 76 Ca -0.01 0.24 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 2e3i s PHE 76 Cb 0.03 0.02 0.15 0.00 -0.34 0.00 0.00 43.02 42.88 2e3i s PHE 76 CO 0.19 -0.13 0.35 -0.51 -1.46 0.00 0.00 175.22 173.66 2e3i s LEU 77 N -0.33 -0.52 0.00 6.12 1.43 -1.26 -0.04 118.68 124.08 2e3i s LEU 77 Ca -0.04 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2e3i s LEU 77 Cb -0.03 0.82 0.00 0.00 0.03 0.00 0.00 46.19 47.01 2e3i s LEU 77 CO 0.01 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.83 2e3i n GLY 78 N 5.33 -0.62 3.85 -3.19 0.00 -0.40 -4.95 105.19 105.22 2e3i n GLY 78 Ca -0.01 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 2e3i n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e3i s GLU 79 N -0.47 3.99 0.32 1.61 2.02 -1.26 -0.36 118.70 124.55 2e3i s GLU 79 Ca 0.00 0.56 0.04 0.00 0.02 0.00 0.00 54.97 55.58 2e3i s GLU 79 Cb 0.00 -2.68 -0.06 0.00 0.10 0.00 0.00 34.13 31.49 2e3i s GLU 79 CO 0.00 0.31 0.06 0.95 0.02 0.00 0.00 175.26 176.61 2e3i s THR 80 N -1.74 1.13 -0.59 3.63 -4.23 -1.26 -4.98 115.64 107.60 2e3i s THR 80 Ca 0.47 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 2e3i s THR 80 Cb -0.13 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 2e3i s THR 80 CO 0.19 0.00 1.17 0.00 -0.54 0.00 0.00 174.62 175.44 2e3i n GLN 81 N -0.68 0.32 0.16 3.99 6.02 -1.26 -4.19 117.38 121.75 2e3i n GLN 81 Ca -0.02 0.05 0.09 0.00 -0.01 0.00 0.00 57.00 57.11 2e3i n GLN 81 Cb 0.67 -1.66 0.08 0.00 1.02 0.00 0.00 30.24 30.35 2e3i n GLN 81 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2e3i h PHE 82 N 0.00 0.00 -1.86 1.08 -5.15 -1.97 -3.48 116.94 105.57 2e3i h PHE 82 Ca 0.00 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.82 2e3i h PHE 82 Cb 0.76 0.00 -0.20 0.00 0.22 0.00 0.00 35.95 36.73 2e3i h PHE 82 CO 0.00 0.12 0.43 0.00 -2.00 0.00 0.00 178.31 176.86 2e3i s ALA 83 N -3.19 -1.86 0.83 12.09 0.00 -1.26 -5.18 121.76 123.19 2e3i s ALA 83 Ca 0.04 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 2e3i s ALA 83 Cb 0.07 -0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.01 2e3i s ALA 83 CO 0.73 -0.41 1.10 -1.25 0.00 0.00 0.00 175.76 175.92 2e3i s PRO 84 N -1.60 1.85 0.61 0.00 0.04 -1.26 -4.16 135.00 130.48 2e3i s PRO 84 Ca -0.03 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2e3i s PRO 84 Cb -0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2e3i s PRO 84 CO 0.01 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2e3i n GLY 85 N -1.89 -2.20 3.72 0.56 0.00 -1.26 -4.90 105.19 99.22 2e3i n GLY 85 Ca 0.07 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 2e3i n GLY 85 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2e3i s GLN 86 N -0.31 4.49 0.02 1.61 2.00 -1.26 -4.30 119.66 121.90 2e3i s GLN 86 Ca 0.00 1.08 0.06 0.00 -2.00 0.00 0.00 55.36 54.50 2e3i s GLN 86 Cb 0.00 -3.42 -0.02 0.00 0.80 0.00 0.00 33.01 30.37 2e3i s GLN 86 CO 0.00 0.11 -0.18 -1.58 -0.50 0.00 0.00 175.29 173.15 2e3i s TRP 87 N 0.56 1.55 -0.20 1.67 0.52 0.51 -4.53 118.94 119.02 2e3i s TRP 87 Ca 0.41 -0.33 -0.06 0.00 0.02 0.00 0.00 56.10 56.14 2e3i s TRP 87 Cb -0.20 -0.96 -0.03 0.00 -1.15 0.00 0.00 33.47 31.13 2e3i s TRP 87 CO 0.22 0.02 0.04 0.00 0.02 0.00 0.00 176.95 177.26 2e3i s ALA 88 N -0.62 3.21 -0.28 0.98 0.00 0.41 -1.27 121.76 124.19 2e3i s ALA 88 Ca 0.06 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2e3i s ALA 88 Cb -0.08 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2e3i s ALA 88 CO 0.01 -0.09 0.15 0.20 0.00 0.00 0.00 175.76 176.03 2e3i s GLY 89 N 0.88 1.87 -0.07 0.00 0.00 0.94 -1.74 107.32 109.20 2e3i s GLY 89 Ca 0.03 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.59 2e3i s GLY 89 CO 0.02 0.64 -0.16 -0.42 0.00 0.00 0.00 173.10 173.18 2e3i s ILE 90 N 1.68 2.87 -0.40 0.90 1.09 -0.11 -0.22 121.20 127.01 2e3i s ILE 90 Ca 0.06 -0.77 -0.17 0.00 -1.10 0.00 0.00 60.65 58.67 2e3i s ILE 90 Cb -0.16 -2.13 0.01 0.00 -1.06 0.00 0.00 42.46 39.12 2e3i s ILE 90 CO 0.08 0.57 0.44 0.54 -0.10 0.00 0.00 174.94 176.47 2e3i s VAL 91 N -0.32 5.08 0.52 2.92 0.11 -0.25 -2.15 120.40 126.31 2e3i s VAL 91 Ca 0.02 -0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 58.75 2e3i s VAL 91 Cb -0.13 -4.00 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 2e3i s VAL 91 CO 0.02 -0.35 0.99 -0.76 -3.33 0.00 0.00 175.10 171.68 2e3i s LEU 92 N 2.19 3.61 0.22 2.54 1.43 0.19 -1.41 118.68 127.45 2e3i s LEU 92 Ca 0.13 1.60 -0.06 0.00 -1.03 0.00 0.00 54.13 54.77 2e3i s LEU 92 Cb -0.17 -4.51 0.18 0.00 0.03 0.00 0.00 46.19 41.72 2e3i s LEU 92 CO 0.14 -0.65 1.73 0.44 0.23 0.00 0.00 176.35 178.23 2e3i h ASP 93 N 0.86 0.99 -2.71 2.29 3.45 -1.75 -3.45 116.42 116.11 2e3i h ASP 93 Ca -0.47 -0.22 -0.62 0.00 0.43 0.00 0.00 57.03 56.15 2e3i h ASP 93 Cb 1.19 -0.26 -0.15 0.00 -0.56 0.00 0.00 39.33 39.55 2e3i h ASP 93 CO 0.61 0.98 -0.76 -1.61 -1.57 0.00 0.00 179.24 176.89 2e3i s GLU 94 N -5.21 1.80 -1.16 3.56 2.02 -1.26 -5.04 118.70 113.41 2e3i s GLU 94 Ca -0.11 -1.53 -0.07 0.00 0.02 0.00 0.00 54.97 53.27 2e3i s GLU 94 Cb 0.15 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.37 2e3i s GLU 94 CO 0.84 0.38 2.49 -0.35 0.02 0.00 0.00 175.26 178.64 2e3i n PRO 95 N -0.22 2.71 -0.51 0.39 -0.04 -1.26 -4.38 135.00 131.69 2e3i n PRO 95 Ca -0.09 -1.72 0.08 0.00 -0.04 0.00 0.00 63.50 61.73 2e3i n PRO 95 Cb 0.58 -2.56 0.28 0.00 -0.04 0.00 0.00 33.50 31.75 2e3i n PRO 95 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2e3i n ILE 96 N 3.88 2.36 -1.51 0.52 -5.35 -1.15 -4.80 119.36 113.30 2e3i n ILE 96 Ca 0.58 -1.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.21 2e3i n ILE 96 Cb 0.20 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 2e3i n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2e3i n GLY 97 N -0.40 1.55 0.00 3.28 0.00 0.15 -5.04 105.19 104.73 2e3i n GLY 97 Ca 0.23 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2e3i n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2e3i n LYS 98 N 0.00 5.13 -2.18 1.61 5.02 -0.09 -4.83 118.16 122.82 2e3i n LYS 98 Ca 0.00 -0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.21 2e3i n LYS 98 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2e3i n LYS 98 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2e3i n ASN 99 N -0.74 -0.70 -0.85 4.39 0.23 -0.55 -4.84 115.26 112.19 2e3i n ASN 99 Ca 0.00 -1.63 0.07 0.00 -0.53 0.00 0.00 54.58 52.49 2e3i n ASN 99 Cb 0.00 1.21 0.22 0.00 -2.08 0.00 0.00 39.78 39.13 2e3i n ASN 99 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2e3i n ASP 100 N -1.49 3.49 0.00 0.53 5.75 -1.26 -0.63 116.55 122.94 2e3i n ASP 100 Ca -0.02 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2e3i n ASP 100 Cb 0.22 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2e3i n ASP 100 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2e3i n GLY 101 N 0.28 0.52 3.50 6.12 0.00 -1.26 -2.09 105.19 112.26 2e3i n GLY 101 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2e3i n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e3i s SER 102 N -2.00 3.89 -0.05 1.61 1.04 -1.26 -1.91 113.70 115.02 2e3i s SER 102 Ca 0.00 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 2e3i s SER 102 Cb 0.00 -0.53 0.04 0.00 0.10 0.00 0.00 66.02 65.63 2e3i s SER 102 CO 0.00 0.14 0.10 -0.69 0.98 0.00 0.00 173.24 173.77 2e3i s VAL 103 N -1.43 -0.13 -1.46 5.02 1.01 -0.73 -4.87 120.40 117.80 2e3i s VAL 103 Ca 0.21 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 2e3i s VAL 103 Cb -0.09 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.14 2e3i s VAL 103 CO 0.12 0.13 0.81 0.00 0.00 0.00 0.00 175.10 176.16 2e3i n ALA 104 N 4.86 -1.16 -0.06 5.51 0.00 -1.26 -1.84 120.51 126.56 2e3i n ALA 104 Ca -0.13 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2e3i n ALA 104 Cb 0.50 -4.12 0.00 0.00 0.00 0.00 0.00 19.45 15.84 2e3i n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e3i n GLY 105 N -1.58 2.13 3.60 0.00 0.00 -1.26 -5.02 105.19 103.06 2e3i n GLY 105 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2e3i n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e3i s VAL 106 N -2.80 5.14 -0.21 1.61 1.01 -0.77 -5.06 120.40 119.32 2e3i s VAL 106 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 2e3i s VAL 106 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2e3i s VAL 106 CO 0.00 0.11 0.52 -0.60 0.00 0.00 0.00 175.10 175.13 2e3i s ARG 107 N 2.15 4.18 -0.18 2.72 3.52 -1.26 -1.78 118.95 128.31 2e3i s ARG 107 Ca 0.17 0.41 0.10 0.00 -0.13 0.00 0.00 55.73 56.28 2e3i s ARG 107 Cb -0.16 -3.57 -0.18 0.00 -1.56 0.00 0.00 34.95 29.48 2e3i s ARG 107 CO 0.10 -0.17 -0.03 0.66 -0.81 0.00 0.00 175.30 175.05 2e3i n TYR 108 N 4.86 0.00 -3.89 5.12 4.02 -0.80 -5.01 117.16 121.47 2e3i n TYR 108 Ca -0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.76 2e3i n TYR 108 Cb 0.50 -0.82 -0.02 0.00 -0.02 0.00 0.00 39.34 38.99 2e3i n TYR 108 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 2e3i s PHE 109 N -2.41 0.08 -0.11 -0.72 -0.12 -1.12 -4.85 117.98 108.74 2e3i s PHE 109 Ca -0.15 -0.57 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 2e3i s PHE 109 Cb 0.06 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 43.06 2e3i s PHE 109 CO 0.61 -1.28 -0.18 -1.14 -0.05 0.00 0.00 175.22 173.19 2e3i s GLN 110 N -3.44 2.44 0.31 1.99 2.00 -1.26 -4.23 119.66 117.48 2e3i s GLN 110 Ca 0.16 -0.65 -0.13 0.00 -2.00 0.00 0.00 55.36 52.74 2e3i s GLN 110 Cb -0.04 -1.99 0.02 0.00 0.80 0.00 0.00 33.01 31.79 2e3i s GLN 110 CO 0.09 0.01 0.61 0.00 -0.50 0.00 0.00 175.29 175.50 2e3i s GLU 112 N -3.32 3.46 0.20 0.00 2.02 -1.26 -4.73 118.70 115.07 2e3i s GLU 112 Ca 0.20 1.53 -0.32 0.00 0.02 0.00 0.00 54.97 56.41 2e3i s GLU 112 Cb -0.03 -2.03 -0.15 0.00 0.10 0.00 0.00 34.13 32.02 2e3i s GLU 112 CO 0.12 -0.75 1.17 -0.35 0.02 0.00 0.00 175.26 175.48 2e3i n PRO 113 N -1.25 1.32 -1.17 0.39 -0.04 -1.26 -2.17 135.00 130.82 2e3i n PRO 113 Ca 0.11 0.47 -0.06 0.00 -0.04 0.00 0.00 63.50 63.98 2e3i n PRO 113 Cb 0.51 -1.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 2e3i n PRO 113 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2e3i n LEU 114 N 1.92 0.05 -0.22 1.53 4.32 -0.77 -4.81 117.00 119.02 2e3i n LEU 114 Ca 0.14 0.14 0.11 0.00 -0.02 0.00 0.00 56.01 56.38 2e3i n LEU 114 Cb 0.27 -2.08 0.00 0.00 -1.62 0.00 0.00 43.42 39.99 2e3i n LEU 114 CO 0.61 -0.76 0.20 0.29 -1.22 0.00 0.00 177.39 176.51 2e3i n LYS 115 N -0.97 0.56 -4.00 3.23 5.02 -0.92 0.33 118.16 121.40 2e3i n LYS 115 Ca -0.06 -0.45 -0.33 0.00 -2.02 0.00 0.00 58.31 55.46 2e3i n LYS 115 Cb 0.42 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 2e3i n LYS 115 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2e3i s GLY 116 N -2.75 2.09 -0.10 0.72 0.00 0.20 0.57 107.32 108.06 2e3i s GLY 116 Ca 0.14 -0.84 -0.20 0.00 0.00 0.00 0.00 44.72 43.82 2e3i s GLY 116 CO 0.70 -0.74 0.49 -1.50 0.00 0.00 0.00 173.10 172.05 2e3i s ILE 117 N -1.29 0.02 -0.08 0.90 2.07 -0.91 -0.91 121.20 120.99 2e3i s ILE 117 Ca 0.26 -0.16 0.03 0.00 -1.41 0.00 0.00 60.65 59.37 2e3i s ILE 117 Cb -0.12 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 2e3i s ILE 117 CO 0.18 -0.09 -0.17 -0.36 -1.91 0.00 0.00 174.94 172.59 2e3i s PHE 118 N -0.64 2.68 0.14 3.50 0.40 -1.26 -0.94 117.98 121.86 2e3i s PHE 118 Ca -0.07 -0.51 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 2e3i s PHE 118 Cb -0.03 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.80 2e3i s PHE 118 CO 0.04 -0.08 0.33 -0.08 0.70 0.00 0.00 175.22 176.13 2e3i s THR 119 N -0.14 0.08 0.27 0.64 -1.32 -0.71 -4.97 115.64 109.48 2e3i s THR 119 Ca -0.02 -1.03 -0.29 0.00 -1.21 0.00 0.00 61.69 59.14 2e3i s THR 119 Cb -0.14 -1.50 -0.09 0.00 -1.51 0.00 0.00 72.50 69.26 2e3i s THR 119 CO 0.04 -0.36 1.17 -0.13 -2.21 0.00 0.00 174.62 173.12 2e3i s ARG 120 N -3.88 4.54 0.56 7.08 1.81 -1.26 -0.44 118.95 127.36 2e3i s ARG 120 Ca 0.09 1.92 0.29 0.00 -1.72 0.00 0.00 55.73 56.31 2e3i s ARG 120 Cb 0.03 -3.17 1.47 0.00 -0.45 0.00 0.00 34.95 32.82 2e3i s ARG 120 CO -0.06 0.05 1.93 -1.00 -0.68 0.00 0.00 175.30 175.54 2e3i h PRO 121 N 4.02 0.00 0.00 3.54 0.13 -1.92 -1.79 132.00 135.97 2e3i h PRO 121 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2e3i h PRO 121 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2e3i h PRO 121 CO 0.68 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.32 2e3i n SER 122 N -4.04 0.65 -0.29 1.44 3.41 -1.26 -2.12 113.62 111.41 2e3i n SER 122 Ca 0.11 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 2e3i n SER 122 Cb 0.72 -0.79 0.46 0.00 -0.26 0.00 0.00 64.21 64.34 2e3i n SER 122 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2e3i n LYS 123 N -2.21 1.05 -3.58 4.33 4.76 -0.67 -4.89 118.16 116.95 2e3i n LYS 123 Ca 0.03 -0.58 -0.33 0.00 -2.87 0.00 0.00 58.31 54.56 2e3i n LYS 123 Cb 0.25 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.90 2e3i n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2e3i s LEU 124 N -2.35 4.27 0.06 -0.35 1.43 -0.90 -2.21 118.68 118.62 2e3i s LEU 124 Ca 0.29 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 2e3i s LEU 124 Cb 0.20 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2e3i s LEU 124 CO 0.46 0.06 -0.12 0.42 0.23 0.00 0.00 176.35 177.39 2e3i s THR 125 N -1.61 0.96 -0.03 5.49 -4.23 -0.93 -4.96 115.64 110.33 2e3i s THR 125 Ca 0.40 -1.20 0.12 0.00 -1.18 0.00 0.00 61.69 59.83 2e3i s THR 125 Cb -0.12 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 2e3i s THR 125 CO 0.22 -0.23 1.42 0.03 -0.54 0.00 0.00 174.62 175.51 2e3i h ARG 126 N 4.44 0.00 -5.55 3.99 3.08 -1.89 0.03 114.38 118.48 2e3i h ARG 126 Ca -0.39 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.18 2e3i h ARG 126 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 2e3i h ARG 126 CO 0.41 0.66 -0.70 0.15 -1.07 0.00 0.00 179.97 179.42 2e3i s LYS 127 N -2.94 1.46 0.22 0.04 1.02 -1.26 -4.74 119.74 113.53 2e3i s LYS 127 Ca 0.03 -1.70 -0.31 0.00 0.02 0.00 0.00 55.97 54.00 2e3i s LYS 127 Cb 0.09 -1.15 -0.10 0.00 -0.52 0.00 0.00 37.83 36.14 2e3i s LYS 127 CO 0.77 0.10 1.55 0.54 -0.92 0.00 0.00 175.35 177.39 2e3i s VAL 128 N -2.99 2.46 -0.07 3.17 0.11 -1.26 -4.82 120.40 117.00 2e3i s VAL 128 Ca 0.27 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 2e3i s VAL 128 Cb 0.02 -3.23 0.02 0.00 -1.53 0.00 0.00 36.38 31.66 2e3i s VAL 128 CO 0.10 0.04 -0.04 -1.10 -3.33 0.00 0.00 175.10 170.77 2e3i s GLN 129 N 0.42 0.96 0.32 1.54 -0.21 -0.31 -5.07 119.66 117.31 2e3i s GLN 129 Ca 0.66 -0.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.93 2e3i s GLN 129 Cb -0.45 -1.07 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 2e3i s GLN 129 CO 0.38 -0.18 0.54 0.00 -2.12 0.00 0.00 175.29 173.92 2e3i s ALA 130 N 1.37 3.67 0.00 6.09 0.00 -1.26 -4.17 121.76 127.46 2e3i s ALA 130 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2e3i s ALA 130 Cb -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.79 2e3i s ALA 130 CO -0.03 0.11 0.00 0.25 0.00 0.00 0.00 175.76 176.09 2e3i n THR 139 N -1.37 0.00 -4.13 0.00 -2.24 -1.26 -5.15 114.28 100.14 2e3i n THR 139 Ca -0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 2e3i n THR 139 Cb 0.55 -0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 2e3i n THR 139 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2e3i s THR 140 N -2.00 1.57 -2.00 4.28 -4.23 -1.26 -5.37 115.64 106.62 2e3i s THR 140 Ca 0.00 -0.64 0.19 0.00 -1.18 0.00 0.00 61.69 60.05 2e3i s THR 140 Cb 0.00 -1.46 0.53 0.00 1.34 0.00 0.00 72.50 72.91 2e3i s THR 140 CO 0.00 0.46 1.50 -0.81 -0.54 0.00 0.00 174.62 175.23