#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct3 s SER 2 N 0.00 4.67 0.26 1.61 1.04 -1.26 -5.08 113.70 114.94 2ct3 s SER 2 Ca 0.00 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 2ct3 s SER 2 Cb 0.00 -1.35 -0.14 0.00 0.10 0.00 0.00 66.02 64.63 2ct3 s SER 2 CO 0.00 0.31 1.13 -1.20 0.98 0.00 0.00 173.24 174.45 2ct3 n SER 3 N 2.60 1.63 0.00 7.02 7.64 -1.26 -4.90 113.62 126.35 2ct3 n SER 3 Ca -0.18 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2ct3 n SER 3 Cb 0.53 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2ct3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ct3 n GLY 4 N 1.51 4.53 3.73 0.23 0.00 -1.26 -5.11 105.19 108.82 2ct3 n GLY 4 Ca 0.11 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 2ct3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ct3 s SER 5 N 0.00 7.43 -0.04 1.61 0.01 -1.26 -5.05 113.70 116.39 2ct3 s SER 5 Ca 0.00 1.71 0.03 0.00 1.31 0.00 0.00 55.95 59.01 2ct3 s SER 5 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2ct3 s SER 5 CO 0.00 -0.06 -0.14 -0.55 0.41 0.00 0.00 173.24 172.90 2ct3 s SER 6 N 0.05 1.83 0.38 2.44 0.15 -1.26 -5.08 113.70 112.22 2ct3 s SER 6 Ca 0.45 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2ct3 s SER 6 Cb -0.23 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2ct3 s SER 6 CO 0.28 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2ct3 n GLY 7 N 3.29 -3.02 3.77 9.45 0.00 -1.26 -4.87 105.19 112.56 2ct3 n GLY 7 Ca -0.19 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.69 4.47 0.22 2.61 2.01 0.10 -4.80 115.64 116.56 2ct3 s THR 8 Ca 0.00 1.65 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 2ct3 s THR 8 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 2ct3 s THR 8 CO 0.00 0.50 1.29 -2.16 -0.69 0.00 0.00 174.62 173.56 2ct3 s PRO 9 N -0.94 4.40 0.26 4.92 0.04 -1.26 -1.55 135.00 140.87 2ct3 s PRO 9 Ca 0.36 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.47 2ct3 s PRO 9 Cb -0.22 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2ct3 s PRO 9 CO 0.25 -0.21 0.17 0.71 0.04 0.00 0.00 177.00 177.96 2ct3 s TYR 10 N -0.12 1.42 -0.09 0.56 1.51 0.19 -2.79 117.35 118.03 2ct3 s TYR 10 Ca 0.55 -1.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.13 2ct3 s TYR 10 Cb -0.36 -0.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.86 2ct3 s TYR 10 CO 0.40 -0.66 0.20 0.50 -1.11 0.00 0.00 175.55 174.88 2ct3 s ARG 11 N -3.90 0.12 -0.25 -0.62 3.52 -0.53 -0.08 118.95 117.21 2ct3 s ARG 11 Ca 0.39 0.54 -0.29 0.00 -0.13 0.00 0.00 55.73 56.24 2ct3 s ARG 11 Cb 0.05 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.25 2ct3 s ARG 11 CO 0.17 -0.23 1.85 0.00 -0.81 0.00 0.00 175.30 176.29 2ct3 s ALA 12 N 1.74 3.00 0.22 6.12 0.00 0.57 -2.00 121.76 131.40 2ct3 s ALA 12 Ca -0.04 0.50 0.11 0.00 0.00 0.00 0.00 51.96 52.53 2ct3 s ALA 12 Cb -0.11 -3.97 0.29 0.00 0.00 0.00 0.00 23.12 19.32 2ct3 s ALA 12 CO -0.07 -2.41 1.56 0.52 0.00 0.00 0.00 175.76 175.36 2ct3 h MET 13 N 12.60 0.00 -3.20 0.00 0.00 0.10 -0.17 114.93 124.26 2ct3 h MET 13 Ca -0.36 0.00 -0.22 0.00 0.00 0.00 0.00 59.70 59.12 2ct3 h MET 13 Cb 1.18 0.00 -0.30 0.00 0.00 0.00 0.00 31.60 32.48 2ct3 h MET 13 CO 1.00 0.65 -0.55 0.71 0.00 0.00 0.00 176.91 178.73 2ct3 s TYR 14 N -3.43 -0.22 0.33 -0.22 2.02 -1.08 -4.77 117.35 109.97 2ct3 s TYR 14 Ca -0.01 0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 56.99 2ct3 s TYR 14 Cb 0.12 -0.01 -0.13 0.00 -0.40 0.00 0.00 41.96 41.54 2ct3 s TYR 14 CO 0.76 -0.17 1.10 0.94 -1.57 0.00 0.00 175.55 176.61 2ct3 n GLN 15 N 3.94 1.60 -5.18 -0.62 0.00 -1.26 -4.56 117.38 111.30 2ct3 n GLN 15 Ca -0.23 0.56 -0.30 0.00 -0.00 0.00 0.00 57.00 57.03 2ct3 n GLN 15 Cb 0.54 -2.03 -0.16 0.00 0.00 0.00 0.00 30.24 28.59 2ct3 n GLN 15 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2ct3 s TYR 16 N -1.10 2.23 -0.63 3.69 5.04 -0.03 -4.91 117.35 121.64 2ct3 s TYR 16 Ca 0.58 -0.59 -0.02 0.00 -2.44 0.00 0.00 57.07 54.60 2ct3 s TYR 16 Cb -0.64 -1.46 0.16 0.00 0.35 0.00 0.00 41.96 40.37 2ct3 s TYR 16 CO 0.60 -0.15 0.44 1.03 -1.34 0.00 0.00 175.55 176.13 2ct3 s ARG 17 N -0.25 2.54 0.31 4.97 0.52 -1.26 -3.38 118.95 122.39 2ct3 s ARG 17 Ca 0.00 -2.63 -0.29 0.00 -0.52 0.00 0.00 55.73 52.30 2ct3 s ARG 17 Cb -0.12 -3.68 -0.10 0.00 0.52 0.00 0.00 34.95 31.57 2ct3 s ARG 17 CO 0.02 -1.17 1.22 -1.25 0.02 0.00 0.00 175.30 174.14 2ct3 s PRO 18 N -0.23 4.45 -0.02 3.54 0.04 -1.26 -4.95 135.00 136.56 2ct3 s PRO 18 Ca 0.18 2.05 0.21 0.00 0.04 0.00 0.00 61.00 63.48 2ct3 s PRO 18 Cb -0.20 -3.10 -0.29 0.00 0.04 0.00 0.00 34.50 30.95 2ct3 s PRO 18 CO -0.04 -0.04 0.50 0.94 0.04 0.00 0.00 177.00 178.40 2ct3 n GLN 19 N 0.92 0.66 -5.26 4.56 7.27 -1.26 -4.92 117.38 119.34 2ct3 n GLN 19 Ca -0.00 -0.13 -0.31 0.00 0.07 0.00 0.00 57.00 56.62 2ct3 n GLN 19 Cb 0.43 -1.56 -0.16 0.00 2.41 0.00 0.00 30.24 31.36 2ct3 n GLN 19 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2ct3 s ASN 20 N -4.75 3.04 0.31 1.69 0.01 -1.26 -5.02 114.94 108.96 2ct3 s ASN 20 Ca -0.07 -0.50 0.08 0.00 -0.71 0.00 0.00 52.86 51.66 2ct3 s ASN 20 Cb 0.12 -0.74 0.87 0.00 0.41 0.00 0.00 41.25 41.92 2ct3 s ASN 20 CO 0.89 0.26 1.69 -0.33 -1.51 0.00 0.00 177.10 178.09 2ct3 h GLU 21 N 5.95 0.38 -0.87 -0.60 5.08 -2.02 0.82 114.58 123.32 2ct3 h GLU 21 Ca -0.34 -0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2ct3 h GLU 21 Cb 1.17 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 2ct3 h GLU 21 CO 0.47 0.25 0.08 -0.44 -1.00 0.00 0.00 179.01 178.37 2ct3 h ASP 22 N 0.39 -0.29 -3.90 1.42 3.32 -1.95 -3.39 116.42 112.02 2ct3 h ASP 22 Ca 0.63 0.23 -0.49 0.00 0.02 0.00 0.00 57.03 57.42 2ct3 h ASP 22 Cb 1.29 0.37 0.01 0.00 0.22 0.00 0.00 39.33 41.22 2ct3 h ASP 22 CO -0.56 -0.23 0.42 -1.61 -1.72 0.00 0.00 179.24 175.54 2ct3 s GLU 23 N -6.03 4.39 -0.11 3.56 2.02 0.28 -2.24 118.70 120.57 2ct3 s GLU 23 Ca -0.13 1.58 -0.14 0.00 0.02 0.00 0.00 54.97 56.30 2ct3 s GLU 23 Cb 0.26 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 2ct3 s GLU 23 CO 0.77 0.05 0.35 -1.17 0.02 0.00 0.00 175.26 175.27 2ct3 s LEU 24 N -2.14 4.31 0.45 1.80 2.96 -1.10 -4.78 118.68 120.18 2ct3 s LEU 24 Ca 0.52 0.68 -0.21 0.00 -0.22 0.00 0.00 54.13 54.90 2ct3 s LEU 24 Cb -0.25 -2.47 -0.10 0.00 0.50 0.00 0.00 46.19 43.88 2ct3 s LEU 24 CO 0.31 0.15 1.00 -0.70 -1.32 0.00 0.00 176.35 175.80 2ct3 s GLU 25 N 0.04 4.02 0.06 1.98 2.12 -1.26 -4.76 118.70 120.90 2ct3 s GLU 25 Ca 0.20 1.28 0.01 0.00 0.36 0.00 0.00 54.97 56.82 2ct3 s GLU 25 Cb -0.14 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 2ct3 s GLU 25 CO 0.07 -0.23 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.00 2ct3 s LEU 26 N -3.26 2.41 -0.03 2.70 1.43 -1.22 -4.90 118.68 115.82 2ct3 s LEU 26 Ca 0.64 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2ct3 s LEU 26 Cb -0.14 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.08 2ct3 s LEU 26 CO 0.18 -0.42 -0.07 -0.60 0.23 0.00 0.00 176.35 175.67 2ct3 s ARG 27 N -3.05 0.80 -0.42 1.70 3.52 -1.26 -0.85 118.95 119.39 2ct3 s ARG 27 Ca 0.02 -0.22 -0.37 0.00 -0.13 0.00 0.00 55.73 55.04 2ct3 s ARG 27 Cb 0.01 -0.77 -0.13 0.00 -1.56 0.00 0.00 34.95 32.49 2ct3 s ARG 27 CO -0.04 0.06 2.21 -1.91 -0.81 0.00 0.00 175.30 174.81 2ct3 n GLU 28 N 3.43 0.78 0.00 5.12 2.13 -1.26 0.38 120.64 131.22 2ct3 n GLU 28 Ca -0.19 0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2ct3 n GLU 28 Cb 0.54 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.01 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 6.74 1.90 3.77 8.31 0.00 -0.08 -4.95 105.19 120.88 2ct3 n GLY 29 Ca 0.45 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.09 6.20 0.38 1.61 1.11 0.16 -4.65 116.67 121.39 2ct3 s ASP 30 Ca 0.00 2.87 -0.15 0.00 0.18 0.00 0.00 52.55 55.45 2ct3 s ASP 30 Cb 0.00 -2.65 -0.08 0.00 1.07 0.00 0.00 42.92 41.25 2ct3 s ASP 30 CO 0.00 -0.95 0.81 -0.13 1.18 0.00 0.00 175.17 176.08 2ct3 s ARG 31 N -2.24 3.97 0.03 8.23 3.00 -1.26 -0.31 118.95 130.37 2ct3 s ARG 31 Ca 0.56 0.72 0.05 0.00 0.00 0.00 0.00 55.73 57.07 2ct3 s ARG 31 Cb -0.43 -2.35 -0.02 0.00 0.00 0.00 0.00 34.95 32.16 2ct3 s ARG 31 CO 0.56 0.03 -0.16 0.08 0.00 0.00 0.00 175.30 175.81 2ct3 s VAL 32 N -2.19 1.28 -0.56 3.52 1.01 0.89 -3.32 120.40 121.03 2ct3 s VAL 32 Ca 0.55 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2ct3 s VAL 32 Cb -0.10 -1.12 0.14 0.00 0.00 0.00 0.00 36.38 35.30 2ct3 s VAL 32 CO 0.22 0.12 0.41 -1.81 0.00 0.00 0.00 175.10 174.04 2ct3 s ASP 33 N -1.01 5.62 0.15 3.32 1.11 0.27 0.57 116.67 126.70 2ct3 s ASP 33 Ca 0.04 -2.34 -0.29 0.00 0.18 0.00 0.00 52.55 50.14 2ct3 s ASP 33 Cb -0.08 -1.96 -0.07 0.00 1.07 0.00 0.00 42.92 41.89 2ct3 s ASP 33 CO 0.01 -0.55 0.92 -0.69 1.18 0.00 0.00 175.17 176.04 2ct3 s VAL 34 N 0.71 4.39 -0.10 -1.27 1.01 -0.60 -0.07 120.40 124.48 2ct3 s VAL 34 Ca 0.11 2.01 -0.05 0.00 0.00 0.00 0.00 61.98 64.05 2ct3 s VAL 34 Cb -0.22 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2ct3 s VAL 34 CO -0.03 0.39 -0.13 0.23 0.00 0.00 0.00 175.10 175.56 2ct3 n MET 35 N 2.32 0.22 -4.29 2.72 0.00 -0.55 0.03 117.12 117.57 2ct3 n MET 35 Ca 0.00 0.09 -0.22 0.00 0.00 0.00 0.00 57.70 57.57 2ct3 n MET 35 Cb 0.49 -0.86 -0.13 0.00 0.00 0.00 0.00 33.22 32.72 2ct3 n MET 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2ct3 s GLN 36 N -2.19 1.04 -0.06 0.03 2.00 -0.49 -4.90 119.66 115.09 2ct3 s GLN 36 Ca -0.14 -1.05 0.04 0.00 -2.00 0.00 0.00 55.36 52.21 2ct3 s GLN 36 Cb 0.05 -1.19 -0.02 0.00 0.80 0.00 0.00 33.01 32.65 2ct3 s GLN 36 CO 0.18 0.28 -0.16 -0.65 -0.50 0.00 0.00 175.29 174.44 2ct3 s GLN 37 N -1.73 2.62 0.58 1.67 -0.21 -1.26 -0.93 119.66 120.40 2ct3 s GLN 37 Ca 0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 55.36 54.64 2ct3 s GLN 37 Cb -0.10 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.57 2ct3 s GLN 37 CO 0.03 0.53 0.86 0.00 -2.12 0.00 0.00 175.29 174.59 2ct3 n ASP 39 N -2.52 2.30 -0.09 0.00 2.03 -1.26 -3.95 116.55 113.06 2ct3 n ASP 39 Ca 0.05 -1.82 -0.10 0.00 0.52 0.00 0.00 54.79 53.44 2ct3 n ASP 39 Cb 0.58 -0.15 -0.16 0.00 -0.72 0.00 0.00 41.12 40.68 2ct3 n ASP 39 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ct3 n ASP 40 N 0.74 0.12 0.00 1.67 9.92 -1.26 -4.99 116.55 122.75 2ct3 n ASP 40 Ca 0.17 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2ct3 n ASP 40 Cb 0.43 0.86 0.00 0.00 -0.64 0.00 0.00 41.12 41.77 2ct3 n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ct3 n GLY 41 N 1.72 0.25 3.77 0.44 0.00 -1.25 -5.14 105.19 104.97 2ct3 n GLY 41 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.02 2.99 0.09 1.61 0.52 -1.26 -3.07 118.94 118.80 2ct3 s TRP 42 Ca 0.00 -0.13 0.10 0.00 0.02 0.00 0.00 56.10 56.08 2ct3 s TRP 42 Cb 0.00 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.93 2ct3 s TRP 42 CO 0.00 0.55 -0.25 -0.06 0.02 0.00 0.00 176.95 177.21 2ct3 s PHE 43 N -2.13 2.18 -0.19 -1.98 0.08 -0.54 -1.23 117.98 114.16 2ct3 s PHE 43 Ca 0.32 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.98 2ct3 s PHE 43 Cb -0.08 -1.24 0.04 0.00 -0.57 0.00 0.00 43.02 41.17 2ct3 s PHE 43 CO 0.23 0.21 -0.12 0.08 -0.10 0.00 0.00 175.22 175.52 2ct3 s VAL 44 N -0.95 1.72 0.00 -0.44 1.01 -0.11 -1.85 120.40 119.78 2ct3 s VAL 44 Ca 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2ct3 s VAL 44 Cb -0.10 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2ct3 s VAL 44 CO 0.04 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2ct3 n GLY 45 N 4.68 3.82 3.06 4.51 0.00 -1.14 -1.39 105.19 118.73 2ct3 n GLY 45 Ca -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.00 0.54 0.82 1.61 1.01 0.90 -2.47 120.40 122.82 2ct3 s VAL 46 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 2ct3 s VAL 46 Cb 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 36.38 35.89 2ct3 s VAL 46 CO 0.00 -0.37 1.17 -0.55 0.00 0.00 0.00 175.10 175.35 2ct3 s SER 47 N -1.54 4.12 0.00 3.32 0.15 -0.83 -0.56 113.70 118.35 2ct3 s SER 47 Ca -0.10 0.43 0.06 0.00 0.70 0.00 0.00 55.95 57.05 2ct3 s SER 47 Cb -0.10 -0.81 0.08 0.00 -1.71 0.00 0.00 66.02 63.49 2ct3 s SER 47 CO 0.00 -2.09 0.82 0.54 1.20 0.00 0.00 173.24 173.71 2ct3 n ARG 48 N -3.32 0.66 -0.08 5.44 5.12 -1.21 -3.66 116.66 119.60 2ct3 n ARG 48 Ca 0.11 -1.12 -0.15 0.00 -1.93 0.00 0.00 57.85 54.76 2ct3 n ARG 48 Cb 0.60 -1.13 -0.07 0.00 -1.16 0.00 0.00 32.46 30.70 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 0.30 0.39 -0.01 5.56 0.63 -1.26 -4.72 116.66 117.55 2ct3 n ARG 49 Ca 0.05 0.13 0.08 0.00 -0.92 0.00 0.00 57.85 57.18 2ct3 n ARG 49 Cb 0.21 -1.23 -0.11 0.00 0.45 0.00 0.00 32.46 31.78 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 -3.36 0.00 -2.11 5.15 -2.24 -1.26 -4.99 114.28 105.47 2ct3 n THR 50 Ca -0.32 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 2ct3 n THR 50 Cb 0.78 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.84 -1.19 -2.85 -0.78 1.13 -1.24 -5.00 117.38 105.61 2ct3 n GLN 51 Ca -0.01 0.81 -0.24 0.00 -1.94 0.00 0.00 57.00 55.61 2ct3 n GLN 51 Cb 0.35 -5.12 0.01 0.00 0.11 0.00 0.00 30.24 25.60 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 -4.44 3.15 -0.11 -1.09 -0.14 -1.26 -4.78 119.74 111.07 2ct3 s LYS 52 Ca 0.00 -0.26 0.04 0.00 -1.36 0.00 0.00 55.97 54.38 2ct3 s LYS 52 Cb 0.00 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.67 2ct3 s LYS 52 CO 0.00 -0.30 -0.23 0.12 -0.76 0.00 0.00 175.35 174.18 2ct3 s PHE 53 N -2.65 2.52 0.00 3.18 2.19 -1.26 -1.97 117.98 119.99 2ct3 s PHE 53 Ca 0.48 -1.09 0.00 0.00 0.33 0.00 0.00 56.93 56.66 2ct3 s PHE 53 Cb -0.10 -1.70 0.00 0.00 -1.31 0.00 0.00 43.02 39.91 2ct3 s PHE 53 CO 0.40 -0.45 0.00 0.41 1.83 0.00 0.00 175.22 177.41 2ct3 n GLY 54 N 3.66 2.05 3.20 13.12 0.00 -1.03 -4.90 105.19 121.28 2ct3 n GLY 54 Ca -0.19 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.03 1.66 0.05 2.61 -1.32 -0.95 -2.86 115.64 112.79 2ct3 s THR 55 Ca 0.00 -0.87 -0.03 0.00 -1.21 0.00 0.00 61.69 59.58 2ct3 s THR 55 Cb 0.00 -1.40 -0.02 0.00 -1.51 0.00 0.00 72.50 69.57 2ct3 s THR 55 CO 0.00 0.47 0.04 0.72 -2.21 0.00 0.00 174.62 173.64 2ct3 s PHE 56 N -0.23 0.33 -0.24 9.09 -0.71 -0.77 -2.71 117.98 122.74 2ct3 s PHE 56 Ca 0.01 -0.74 -0.29 0.00 -1.04 0.00 0.00 56.93 54.87 2ct3 s PHE 56 Cb -0.11 -0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.44 2ct3 s PHE 56 CO 0.01 -0.37 1.62 -1.25 -1.34 0.00 0.00 175.22 173.89 2ct3 s PRO 57 N -3.15 3.75 0.66 1.99 0.04 -1.26 -1.47 135.00 135.57 2ct3 s PRO 57 Ca -0.00 1.61 0.38 0.00 0.04 0.00 0.00 61.00 63.03 2ct3 s PRO 57 Cb 0.02 -4.05 2.09 0.00 0.04 0.00 0.00 34.50 32.61 2ct3 s PRO 57 CO -0.07 -1.35 2.19 0.78 0.04 0.00 0.00 177.00 178.59 2ct3 h GLY 58 N 11.87 0.00 2.00 0.56 0.00 -1.84 0.15 103.07 115.81 2ct3 h GLY 58 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2ct3 h GLY 58 CO 1.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.25 2ct3 n ASN 59 N -3.05 0.03 -0.07 0.19 3.02 -1.26 -1.70 115.26 112.42 2ct3 n ASN 59 Ca -0.02 0.51 -0.04 0.00 -0.03 0.00 0.00 54.58 54.99 2ct3 n ASN 59 Cb 0.20 -0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.53 0.10 -3.84 3.10 4.02 0.04 -4.94 117.16 114.11 2ct3 n TYR 60 Ca 0.02 0.04 -0.23 0.00 -0.01 0.00 0.00 57.90 57.71 2ct3 n TYR 60 Cb 0.10 -0.89 -0.04 0.00 -0.02 0.00 0.00 39.34 38.48 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 2.36 -0.03 -0.72 -7.23 -0.69 0.82 120.40 112.13 2ct3 s VAL 61 Ca -0.09 -1.51 -0.17 0.00 -1.81 0.00 0.00 61.98 58.40 2ct3 s VAL 61 Cb 0.08 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 34.18 2ct3 s VAL 61 CO 0.85 0.00 0.38 0.00 -0.31 0.00 0.00 175.10 176.01 2ct3 s ALA 62 N -2.57 -0.96 -0.45 1.32 0.00 -0.85 -4.81 121.76 113.44 2ct3 s ALA 62 Ca 0.43 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 2ct3 s ALA 62 Cb -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2ct3 s ALA 62 CO 0.25 -0.27 1.76 -1.25 0.00 0.00 0.00 175.76 176.25 2ct3 s PRO 63 N -1.15 3.09 0.31 0.00 0.04 -1.26 -1.45 135.00 134.58 2ct3 s PRO 63 Ca -0.12 1.03 0.25 0.00 0.04 0.00 0.00 61.00 62.20 2ct3 s PRO 63 Cb -0.04 -4.25 0.64 0.00 0.04 0.00 0.00 34.50 30.89 2ct3 s PRO 63 CO 0.05 -2.16 1.71 -0.24 0.04 0.00 0.00 177.00 176.40 2ct3 h VAL 64 N 6.78 0.00 -0.20 -0.36 3.04 -1.82 -3.25 116.25 120.44 2ct3 h VAL 64 Ca -0.30 -0.68 0.06 0.00 -1.01 0.00 0.00 66.70 64.77 2ct3 h VAL 64 Cb 1.16 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 2ct3 h VAL 64 CO 1.11 0.00 0.46 -1.28 -1.01 0.00 0.00 177.57 176.85 2ct3 h SER 65 N 0.00 0.00 -1.77 3.17 0.87 -1.89 -3.44 113.55 110.49 2ct3 h SER 65 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 2ct3 h SER 65 Cb 0.83 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.94 2ct3 h SER 65 CO 0.00 0.00 -0.82 0.61 -0.53 0.00 0.00 176.83 176.09 2ct3 n GLY 66 N -1.36 -2.44 3.57 5.77 0.00 -1.23 -4.72 105.19 104.78 2ct3 n GLY 66 Ca 0.03 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.12 2.52 -0.34 1.61 0.04 -1.26 -4.78 135.00 131.67 2ct3 s PRO 67 Ca 0.60 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2ct3 s PRO 67 Cb -0.65 -5.16 0.32 0.00 0.04 0.00 0.00 34.50 29.05 2ct3 s PRO 67 CO 0.61 -3.72 1.83 0.45 0.04 0.00 0.00 177.00 176.21 2ct3 n SER 68 N 14.21 5.40 -4.77 6.66 2.88 -1.26 -4.96 113.62 131.77 2ct3 n SER 68 Ca 0.43 -3.11 -0.35 0.00 -1.33 0.00 0.00 58.87 54.50 2ct3 n SER 68 Cb 0.47 -0.90 0.01 0.00 -0.75 0.00 0.00 64.21 63.03 2ct3 n SER 68 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ct3 s SER 69 N -0.30 5.68 0.00 -3.46 0.15 -1.26 -5.27 113.70 109.24 2ct3 s SER 69 Ca 0.36 2.22 0.00 0.00 0.70 0.00 0.00 55.95 59.23 2ct3 s SER 69 Cb 0.29 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2ct3 s SER 69 CO 0.02 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 173.82