#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct3 h SER 2 N 0.00 -0.01 -5.19 1.61 4.64 -2.14 -3.47 113.55 108.99 2ct3 h SER 2 Ca 0.00 -0.42 -0.10 0.00 -0.47 0.00 0.00 61.79 60.80 2ct3 h SER 2 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 2ct3 h SER 2 CO 0.00 0.42 -0.49 -0.55 -0.87 0.00 0.00 176.83 175.34 2ct3 s SER 3 N -5.62 0.26 -0.58 4.97 0.15 -1.26 -5.12 113.70 106.50 2ct3 s SER 3 Ca -0.16 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 55.75 2ct3 s SER 3 Cb 0.02 0.29 0.15 0.00 -1.71 0.00 0.00 66.02 64.77 2ct3 s SER 3 CO 0.67 -0.68 0.36 -0.83 1.20 0.00 0.00 173.24 173.96 2ct3 s GLY 4 N -2.88 2.47 0.11 9.45 0.00 -1.26 -5.09 107.32 110.12 2ct3 s GLY 4 Ca 0.06 -3.37 -0.27 0.00 0.00 0.00 0.00 44.72 41.13 2ct3 s GLY 4 CO -0.11 1.19 0.84 -0.45 0.00 0.00 0.00 173.10 174.57 2ct3 s SER 5 N -0.69 7.38 -0.30 1.64 0.15 -1.26 -5.04 113.70 115.58 2ct3 s SER 5 Ca 0.22 1.64 -0.10 0.00 0.70 0.00 0.00 55.95 58.40 2ct3 s SER 5 Cb -0.14 -2.52 0.16 0.00 -1.71 0.00 0.00 66.02 61.81 2ct3 s SER 5 CO -0.09 0.05 0.81 -0.55 1.20 0.00 0.00 173.24 174.67 2ct3 s SER 6 N -0.41 -0.91 0.16 5.45 0.15 -1.26 -5.17 113.70 111.71 2ct3 s SER 6 Ca 0.40 0.95 0.00 0.00 0.70 0.00 0.00 55.95 58.00 2ct3 s SER 6 Cb -0.22 1.92 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 2ct3 s SER 6 CO 0.26 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2ct3 n GLY 7 N 5.30 -3.31 3.82 9.45 0.00 -1.26 -4.97 105.19 114.21 2ct3 n GLY 7 Ca -0.08 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 2ct3 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ct3 s THR 8 N -0.16 5.30 0.26 2.61 2.01 0.62 -4.89 115.64 121.39 2ct3 s THR 8 Ca 0.00 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 2ct3 s THR 8 Cb 0.00 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 2ct3 s THR 8 CO 0.00 0.54 1.26 -2.16 -0.69 0.00 0.00 174.62 173.57 2ct3 s PRO 9 N -0.57 4.43 0.26 4.92 0.04 -1.26 -1.00 135.00 141.82 2ct3 s PRO 9 Ca 0.18 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.27 2ct3 s PRO 9 Cb -0.14 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2ct3 s PRO 9 CO 0.06 -0.13 0.23 0.71 0.04 0.00 0.00 177.00 177.91 2ct3 s TYR 10 N -0.58 1.29 -0.04 0.56 1.51 0.34 -2.68 117.35 117.74 2ct3 s TYR 10 Ca 0.51 -1.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.14 2ct3 s TYR 10 Cb -0.37 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 2ct3 s TYR 10 CO 0.44 -0.78 0.08 0.50 -1.11 0.00 0.00 175.55 174.68 2ct3 s ARG 11 N -3.84 0.01 -0.70 -0.62 3.52 -0.24 0.03 118.95 117.12 2ct3 s ARG 11 Ca 0.38 0.27 -0.27 0.00 -0.13 0.00 0.00 55.73 55.98 2ct3 s ARG 11 Cb 0.04 -0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.24 2ct3 s ARG 11 CO 0.17 -0.17 1.23 0.00 -0.81 0.00 0.00 175.30 175.72 2ct3 s ALA 12 N 1.16 2.84 0.42 6.12 0.00 0.68 -1.43 121.76 131.54 2ct3 s ALA 12 Ca -0.09 -1.28 0.12 0.00 0.00 0.00 0.00 51.96 50.72 2ct3 s ALA 12 Cb -0.12 -4.17 0.98 0.00 0.00 0.00 0.00 23.12 19.81 2ct3 s ALA 12 CO -0.04 -3.10 1.99 0.52 0.00 0.00 0.00 175.76 175.13 2ct3 h MET 13 N 9.88 0.44 -4.43 0.00 0.00 -0.52 -0.10 114.93 120.21 2ct3 h MET 13 Ca -0.27 -0.03 -0.18 0.00 0.00 0.00 0.00 59.70 59.22 2ct3 h MET 13 Cb 1.05 -0.10 -0.15 0.00 0.00 0.00 0.00 31.60 32.40 2ct3 h MET 13 CO 1.25 0.29 -0.66 0.71 0.00 0.00 0.00 176.91 178.50 2ct3 s TYR 14 N -5.43 0.81 0.26 -0.22 2.02 -1.19 -4.43 117.35 109.17 2ct3 s TYR 14 Ca -0.08 -1.15 -0.26 0.00 -0.37 0.00 0.00 57.07 55.21 2ct3 s TYR 14 Cb 0.19 -0.48 -0.09 0.00 -0.40 0.00 0.00 41.96 41.18 2ct3 s TYR 14 CO 0.75 -0.43 0.89 -1.14 -1.57 0.00 0.00 175.55 174.05 2ct3 s GLN 15 N -3.99 4.61 0.13 -0.62 0.74 -1.26 -3.93 119.66 115.35 2ct3 s GLN 15 Ca 0.19 1.29 0.11 0.00 0.05 0.00 0.00 55.36 56.99 2ct3 s GLN 15 Cb 0.07 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 2ct3 s GLN 15 CO -0.01 0.41 -0.26 -0.47 -0.55 0.00 0.00 175.29 174.40 2ct3 s TYR 16 N -1.41 2.24 -0.53 1.67 5.04 -1.21 -4.90 117.35 118.25 2ct3 s TYR 16 Ca 0.45 -0.38 0.04 0.00 -2.44 0.00 0.00 57.07 54.73 2ct3 s TYR 16 Cb -0.21 -1.20 0.13 0.00 0.35 0.00 0.00 41.96 41.03 2ct3 s TYR 16 CO 0.26 0.34 0.28 1.03 -1.34 0.00 0.00 175.55 176.12 2ct3 s ARG 17 N -2.11 1.93 -0.29 4.97 0.52 -1.26 -3.73 118.95 118.97 2ct3 s ARG 17 Ca 0.14 -2.61 -0.29 0.00 -0.52 0.00 0.00 55.73 52.45 2ct3 s ARG 17 Cb -0.10 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2ct3 s ARG 17 CO 0.06 -1.13 1.66 -1.25 0.02 0.00 0.00 175.30 174.66 2ct3 s PRO 18 N -0.32 3.57 0.00 3.54 0.04 -1.26 -4.86 135.00 135.71 2ct3 s PRO 18 Ca 0.18 1.46 0.09 0.00 0.04 0.00 0.00 61.00 62.78 2ct3 s PRO 18 Cb -0.24 -4.10 0.47 0.00 0.04 0.00 0.00 34.50 30.68 2ct3 s PRO 18 CO -0.02 -1.57 1.32 1.04 0.04 0.00 0.00 177.00 177.82 2ct3 n GLN 19 N 8.04 1.18 -3.92 4.56 1.13 -1.26 -4.79 117.38 122.32 2ct3 n GLN 19 Ca 0.20 -0.28 -0.10 0.00 -1.94 0.00 0.00 57.00 54.88 2ct3 n GLN 19 Cb 0.46 -1.17 -0.11 0.00 0.11 0.00 0.00 30.24 29.54 2ct3 n GLN 19 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2ct3 s ASN 20 N -1.24 0.13 0.37 1.08 2.47 -1.26 -5.04 114.94 111.45 2ct3 s ASN 20 Ca 0.15 -0.33 0.08 0.00 0.42 0.00 0.00 52.86 53.18 2ct3 s ASN 20 Cb 0.07 0.15 0.73 0.00 -1.45 0.00 0.00 41.25 40.75 2ct3 s ASN 20 CO 0.12 -0.31 1.89 1.05 -3.72 0.00 0.00 177.10 176.13 2ct3 h GLU 21 N 4.57 0.29 0.00 0.43 4.11 -1.98 -1.88 114.58 120.12 2ct3 h GLU 21 Ca -0.31 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.05 2ct3 h GLU 21 Cb 1.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ct3 h GLU 21 CO 0.41 0.42 -0.01 -0.44 0.07 0.00 0.00 179.01 179.46 2ct3 h ASP 22 N 0.27 0.00 -2.93 3.06 5.19 -1.95 -3.42 116.42 116.63 2ct3 h ASP 22 Ca 0.05 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.85 2ct3 h ASP 22 Cb 0.39 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 2ct3 h ASP 22 CO 0.02 0.01 -0.40 -1.61 -3.12 0.00 0.00 179.24 174.14 2ct3 s GLU 23 N -4.19 3.55 0.02 3.56 2.02 -0.71 -0.46 118.70 122.50 2ct3 s GLU 23 Ca -0.04 -0.16 -0.06 0.00 0.02 0.00 0.00 54.97 54.73 2ct3 s GLU 23 Cb 0.13 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.27 2ct3 s GLU 23 CO 0.46 0.62 0.28 -1.17 0.02 0.00 0.00 175.26 175.47 2ct3 s LEU 24 N -2.02 4.36 0.25 1.80 2.96 -0.94 -4.70 118.68 120.41 2ct3 s LEU 24 Ca 0.30 0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 54.62 2ct3 s LEU 24 Cb -0.13 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 43.76 2ct3 s LEU 24 CO 0.19 0.24 0.68 -0.70 -1.32 0.00 0.00 176.35 175.44 2ct3 s GLU 25 N -1.82 4.06 0.40 1.98 2.12 -1.26 -4.63 118.70 119.54 2ct3 s GLU 25 Ca 0.28 0.66 0.03 0.00 0.36 0.00 0.00 54.97 56.31 2ct3 s GLU 25 Cb -0.13 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 2ct3 s GLU 25 CO 0.17 0.30 0.09 -0.51 -0.54 0.00 0.00 175.26 174.77 2ct3 s LEU 26 N -2.47 2.09 -0.17 2.70 1.43 -1.24 -4.86 118.68 116.15 2ct3 s LEU 26 Ca 0.47 -1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 51.89 2ct3 s LEU 26 Cb -0.13 -0.26 0.06 0.00 0.03 0.00 0.00 46.19 45.88 2ct3 s LEU 26 CO 0.19 -0.82 0.42 -0.60 0.23 0.00 0.00 176.35 175.77 2ct3 s ARG 27 N -3.78 0.42 -0.46 1.70 3.52 -1.26 -3.30 118.95 115.79 2ct3 s ARG 27 Ca 0.26 0.78 -0.33 0.00 -0.13 0.00 0.00 55.73 56.30 2ct3 s ARG 27 Cb 0.04 0.02 -0.12 0.00 -1.56 0.00 0.00 34.95 33.33 2ct3 s ARG 27 CO 0.13 -0.14 2.31 -1.91 -0.81 0.00 0.00 175.30 174.88 2ct3 n GLU 28 N 4.06 0.94 -0.78 5.12 2.13 -1.25 -1.19 120.64 129.67 2ct3 n GLU 28 Ca -0.22 0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2ct3 n GLU 28 Cb 0.56 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.73 2ct3 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ct3 n GLY 29 N 6.43 1.01 3.27 8.31 0.00 -0.05 -4.94 105.19 119.22 2ct3 n GLY 29 Ca 0.44 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 2ct3 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ct3 s ASP 30 N -2.32 2.30 0.36 1.61 1.11 -0.33 -4.96 116.67 114.45 2ct3 s ASP 30 Ca 0.00 -0.76 -0.18 0.00 0.18 0.00 0.00 52.55 51.79 2ct3 s ASP 30 Cb 0.00 -0.11 -0.10 0.00 1.07 0.00 0.00 42.92 43.78 2ct3 s ASP 30 CO 0.00 -0.04 0.83 -0.13 1.18 0.00 0.00 175.17 177.01 2ct3 s ARG 31 N -2.34 4.12 -0.01 8.23 1.81 -1.26 -0.23 118.95 129.26 2ct3 s ARG 31 Ca 0.08 0.88 0.00 0.00 -1.72 0.00 0.00 55.73 54.98 2ct3 s ARG 31 Cb -0.07 -2.36 0.01 0.00 -0.45 0.00 0.00 34.95 32.08 2ct3 s ARG 31 CO 0.04 0.09 -0.00 0.08 -0.68 0.00 0.00 175.30 174.83 2ct3 s VAL 32 N -2.04 0.10 -0.75 3.52 1.01 0.10 -3.22 120.40 119.12 2ct3 s VAL 32 Ca 0.57 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 2ct3 s VAL 32 Cb -0.10 -0.15 0.20 0.00 0.00 0.00 0.00 36.38 36.32 2ct3 s VAL 32 CO 0.16 0.08 0.69 -1.81 0.00 0.00 0.00 175.10 174.22 2ct3 s ASP 33 N 0.52 6.56 0.03 3.32 1.01 0.04 0.13 116.67 128.28 2ct3 s ASP 33 Ca -0.05 -2.49 -0.28 0.00 0.71 0.00 0.00 52.55 50.44 2ct3 s ASP 33 Cb -0.07 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 2ct3 s ASP 33 CO -0.01 -0.63 0.89 -0.69 0.21 0.00 0.00 175.17 174.93 2ct3 s VAL 34 N 0.48 4.77 -0.05 -1.27 1.01 -0.17 -0.22 120.40 124.95 2ct3 s VAL 34 Ca 0.14 1.87 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 2ct3 s VAL 34 Cb -0.15 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2ct3 s VAL 34 CO -0.06 0.26 -0.14 0.23 0.00 0.00 0.00 175.10 175.39 2ct3 n MET 35 N 3.34 0.23 -4.13 2.72 2.81 0.22 -0.28 117.12 122.03 2ct3 n MET 35 Ca 0.02 0.09 -0.32 0.00 -1.81 0.00 0.00 57.70 55.69 2ct3 n MET 35 Cb 0.50 -0.89 -0.07 0.00 -0.71 0.00 0.00 33.22 32.05 2ct3 n MET 35 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2ct3 s GLN 36 N -2.31 2.90 -0.27 0.03 0.74 0.13 -4.91 119.66 115.97 2ct3 s GLN 36 Ca -0.13 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 54.69 2ct3 s GLN 36 Cb 0.03 -2.75 0.07 0.00 1.10 0.00 0.00 33.01 31.47 2ct3 s GLN 36 CO 0.19 0.61 -0.07 -0.65 -0.55 0.00 0.00 175.29 174.82 2ct3 s GLN 37 N -1.94 1.91 0.85 1.67 -0.21 -1.26 -0.56 119.66 120.12 2ct3 s GLN 37 Ca 0.24 -1.31 -0.10 0.00 0.02 0.00 0.00 55.36 54.20 2ct3 s GLN 37 Cb -0.12 -2.82 0.11 0.00 1.00 0.00 0.00 33.01 31.17 2ct3 s GLN 37 CO 0.16 -0.64 1.11 0.00 -2.12 0.00 0.00 175.29 173.80 2ct3 h ASP 39 N -1.50 0.14 -1.25 0.00 1.82 -2.00 -3.34 116.42 110.28 2ct3 h ASP 39 Ca -0.45 -0.84 0.40 0.00 -0.39 0.00 0.00 57.03 55.76 2ct3 h ASP 39 Cb 1.25 -0.04 -0.12 0.00 0.68 0.00 0.00 39.33 41.10 2ct3 h ASP 39 CO 0.48 1.30 0.80 0.44 -1.61 0.00 0.00 179.24 180.65 2ct3 h ASP 40 N -0.78 0.29 0.00 2.28 3.32 -2.07 -3.42 116.42 116.03 2ct3 h ASP 40 Ca -0.17 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2ct3 h ASP 40 Cb 1.31 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2ct3 h ASP 40 CO -0.02 -0.14 0.00 0.61 -1.72 0.00 0.00 179.24 177.97 2ct3 n GLY 41 N -1.50 0.60 3.30 2.75 0.00 -1.25 -5.17 105.19 103.92 2ct3 n GLY 41 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 2ct3 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ct3 s TRP 42 N -0.93 1.47 0.10 1.61 0.52 -1.26 -3.97 118.94 116.48 2ct3 s TRP 42 Ca 0.00 -0.77 0.09 0.00 0.02 0.00 0.00 56.10 55.44 2ct3 s TRP 42 Cb 0.00 -0.77 -0.04 0.00 -1.15 0.00 0.00 33.47 31.51 2ct3 s TRP 42 CO 0.00 0.11 -0.23 -0.06 0.02 0.00 0.00 176.95 176.79 2ct3 s PHE 43 N -3.27 1.99 -0.07 -1.98 0.08 -0.47 -0.23 117.98 114.03 2ct3 s PHE 43 Ca 0.22 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.88 2ct3 s PHE 43 Cb 0.03 -1.10 0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2ct3 s PHE 43 CO 0.05 0.24 -0.09 0.08 -0.10 0.00 0.00 175.22 175.39 2ct3 s VAL 44 N -1.08 0.94 0.00 -0.44 1.01 0.27 -0.94 120.40 120.17 2ct3 s VAL 44 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2ct3 s VAL 44 Cb -0.10 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2ct3 s VAL 44 CO 0.04 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2ct3 n GLY 45 N 4.14 2.19 3.15 4.51 0.00 -1.04 -0.61 105.19 117.53 2ct3 n GLY 45 Ca -0.21 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2ct3 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ct3 s VAL 46 N 0.71 0.82 0.69 1.61 1.01 0.70 -2.95 120.40 122.99 2ct3 s VAL 46 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.39 2ct3 s VAL 46 Cb 0.00 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.22 2ct3 s VAL 46 CO 0.00 -0.56 0.97 -0.55 0.00 0.00 0.00 175.10 174.96 2ct3 s SER 47 N -2.32 4.70 0.00 3.32 0.15 -0.89 -0.78 113.70 117.88 2ct3 s SER 47 Ca 0.03 0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2ct3 s SER 47 Cb -0.03 -0.75 0.02 0.00 -1.71 0.00 0.00 66.02 63.54 2ct3 s SER 47 CO -0.01 -1.62 0.70 0.54 1.20 0.00 0.00 173.24 174.05 2ct3 n ARG 48 N -2.82 0.42 -0.03 5.44 5.12 -1.20 -3.80 116.66 119.80 2ct3 n ARG 48 Ca 0.10 -0.90 -0.04 0.00 -1.93 0.00 0.00 57.85 55.08 2ct3 n ARG 48 Cb 0.60 -1.03 -0.04 0.00 -1.16 0.00 0.00 32.46 30.83 2ct3 n ARG 48 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2ct3 n ARG 49 N -0.08 1.37 0.00 5.56 0.63 -1.26 -4.74 116.66 118.15 2ct3 n ARG 49 Ca 0.01 0.02 0.02 0.00 -0.92 0.00 0.00 57.85 56.99 2ct3 n ARG 49 Cb 0.11 -1.15 -0.02 0.00 0.45 0.00 0.00 32.46 31.84 2ct3 n ARG 49 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2ct3 n THR 50 N -2.52 0.00 -2.51 5.15 -2.24 -1.26 -5.00 114.28 105.91 2ct3 n THR 50 Ca -0.12 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.09 2ct3 n THR 50 Cb 0.67 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.89 2ct3 n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ct3 n GLN 51 N -1.08 -2.24 -2.94 -0.78 1.13 -1.25 -4.96 117.38 105.27 2ct3 n GLN 51 Ca 0.01 0.81 -0.24 0.00 -1.94 0.00 0.00 57.00 55.63 2ct3 n GLN 51 Cb 0.07 -5.46 0.01 0.00 0.11 0.00 0.00 30.24 24.96 2ct3 n GLN 51 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2ct3 s LYS 52 N -5.13 3.23 0.11 -1.09 1.02 -1.26 -4.78 119.74 111.83 2ct3 s LYS 52 Ca 0.04 -0.27 0.08 0.00 0.02 0.00 0.00 55.97 55.85 2ct3 s LYS 52 Cb -0.02 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2ct3 s LYS 52 CO 0.05 -0.22 -0.16 0.12 -0.92 0.00 0.00 175.35 174.23 2ct3 s PHE 53 N -2.59 2.59 -5.00 3.18 5.36 -1.26 -2.10 117.98 118.16 2ct3 s PHE 53 Ca 0.47 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2ct3 s PHE 53 Cb -0.10 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 2ct3 s PHE 53 CO 0.40 0.39 0.00 0.41 -1.46 0.00 0.00 175.22 174.96 2ct3 n GLY 54 N 0.79 -0.78 3.33 13.12 0.00 -1.15 -4.62 105.19 115.88 2ct3 n GLY 54 Ca -0.15 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 2ct3 n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ct3 s THR 55 N -2.98 2.10 0.05 2.61 -1.32 0.40 -2.49 115.64 114.01 2ct3 s THR 55 Ca 0.00 -1.35 -0.02 0.00 -1.21 0.00 0.00 61.69 59.11 2ct3 s THR 55 Cb 0.00 -1.79 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 2ct3 s THR 55 CO 0.00 0.38 0.01 0.72 -2.21 0.00 0.00 174.62 173.52 2ct3 s PHE 56 N -0.78 0.39 -0.49 9.09 -0.71 -0.11 -2.21 117.98 123.16 2ct3 s PHE 56 Ca 0.11 -0.85 -0.27 0.00 -1.04 0.00 0.00 56.93 54.88 2ct3 s PHE 56 Cb -0.10 -0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2ct3 s PHE 56 CO 0.02 -0.37 1.79 -1.25 -1.34 0.00 0.00 175.22 174.06 2ct3 s PRO 57 N -3.36 2.99 0.41 1.99 0.04 -1.26 -1.37 135.00 134.44 2ct3 s PRO 57 Ca 0.02 0.93 0.15 0.00 0.04 0.00 0.00 61.00 62.14 2ct3 s PRO 57 Cb 0.04 -4.28 0.81 0.00 0.04 0.00 0.00 34.50 31.11 2ct3 s PRO 57 CO -0.08 -2.29 1.37 0.78 0.04 0.00 0.00 177.00 176.82 2ct3 h GLY 58 N 14.97 0.00 2.00 0.56 0.00 -1.87 0.24 103.07 118.97 2ct3 h GLY 58 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2ct3 h GLY 58 CO 1.14 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.38 2ct3 n ASN 59 N -2.22 0.33 -0.07 0.19 3.02 -1.26 -1.86 115.26 113.39 2ct3 n ASN 59 Ca -0.01 0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 55.12 2ct3 n ASN 59 Cb 0.39 -0.67 -0.16 0.00 -0.61 0.00 0.00 39.78 38.74 2ct3 n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ct3 n TYR 60 N -1.89 0.00 -3.84 3.10 4.02 0.85 -5.00 117.16 114.40 2ct3 n TYR 60 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.66 2ct3 n TYR 60 Cb 0.12 -0.80 -0.03 0.00 -0.02 0.00 0.00 39.34 38.61 2ct3 n TYR 60 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2ct3 s VAL 61 N -2.78 2.09 0.02 -0.72 -7.23 -0.78 0.23 120.40 111.24 2ct3 s VAL 61 Ca -0.09 -1.49 -0.24 0.00 -1.81 0.00 0.00 61.98 58.36 2ct3 s VAL 61 Cb 0.08 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.50 2ct3 s VAL 61 CO 0.81 0.00 0.54 0.00 -0.31 0.00 0.00 175.10 176.14 2ct3 s ALA 62 N -2.65 -1.38 -0.53 1.32 0.00 -0.52 -4.85 121.76 113.17 2ct3 s ALA 62 Ca 0.40 0.73 -0.27 0.00 0.00 0.00 0.00 51.96 52.82 2ct3 s ALA 62 Cb -0.01 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2ct3 s ALA 62 CO 0.23 -0.45 1.81 -1.25 0.00 0.00 0.00 175.76 176.10 2ct3 s PRO 63 N -2.06 2.87 0.48 0.00 0.04 -1.26 -1.08 135.00 133.99 2ct3 s PRO 63 Ca -0.07 0.83 0.27 0.00 0.04 0.00 0.00 61.00 62.07 2ct3 s PRO 63 Cb -0.01 -4.31 0.86 0.00 0.04 0.00 0.00 34.50 31.08 2ct3 s PRO 63 CO 0.01 -2.43 1.80 -0.24 0.04 0.00 0.00 177.00 176.18 2ct3 h VAL 64 N 6.83 0.13 -1.13 -0.36 3.04 -1.80 -3.21 116.25 119.76 2ct3 h VAL 64 Ca -0.28 -0.88 0.31 0.00 -1.01 0.00 0.00 66.70 64.85 2ct3 h VAL 64 Cb 1.16 1.78 -0.09 0.00 -2.01 0.00 0.00 31.29 32.13 2ct3 h VAL 64 CO 1.16 0.06 0.74 -1.28 -1.01 0.00 0.00 177.57 177.25 2ct3 h SER 65 N 0.00 0.32 -3.03 3.17 0.87 -1.88 -3.47 113.55 109.53 2ct3 h SER 65 Ca -0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2ct3 h SER 65 Cb 0.77 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2ct3 h SER 65 CO 0.01 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 2ct3 n GLY 66 N -1.54 2.40 3.77 5.77 0.00 -1.21 -5.05 105.19 109.33 2ct3 n GLY 66 Ca 0.28 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 2ct3 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ct3 s PRO 67 N -4.39 3.41 -0.65 1.61 0.04 -1.26 -4.98 135.00 128.77 2ct3 s PRO 67 Ca 0.00 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.46 2ct3 s PRO 67 Cb 0.00 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.57 2ct3 s PRO 67 CO 0.00 -0.81 0.90 0.45 0.04 0.00 0.00 177.00 177.58 2ct3 s SER 68 N -1.72 6.19 -1.51 6.66 0.15 -1.26 -4.36 113.70 117.85 2ct3 s SER 68 Ca 0.72 -1.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.05 2ct3 s SER 68 Cb -0.24 -2.39 0.15 0.00 -1.71 0.00 0.00 66.02 61.83 2ct3 s SER 68 CO 0.28 -1.34 0.60 -0.24 1.20 0.00 0.00 173.24 173.73 2ct3 n SER 69 N 7.30 -2.75 0.00 5.45 2.88 -1.26 -5.36 113.62 119.89 2ct3 n SER 69 Ca -0.04 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 2ct3 n SER 69 Cb 0.45 -2.30 0.00 0.00 -0.75 0.00 0.00 64.21 61.60 2ct3 n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42