#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtq n THR 3 N 0.00 -3.42 -3.92 12.58 -1.04 -1.26 -5.02 114.28 112.20 3gtq n THR 3 Ca 0.00 -0.08 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 3gtq n THR 3 Cb 0.00 -4.39 -0.04 0.00 -1.82 0.00 0.00 70.33 64.09 3gtq n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3gtq s PHE 4 N -3.00 3.50 0.23 -1.42 -0.12 -1.26 -4.94 117.98 110.97 3gtq s PHE 4 Ca 0.01 0.19 0.08 0.00 -0.05 0.00 0.00 56.93 57.16 3gtq s PHE 4 Cb -0.00 -1.72 -0.04 0.00 -0.63 0.00 0.00 43.02 40.63 3gtq s PHE 4 CO 0.20 0.55 0.06 0.50 -0.05 0.00 0.00 175.22 176.48 3gtq s ARG 5 N -2.88 2.55 0.29 1.99 3.52 -1.26 -5.12 118.95 118.03 3gtq s ARG 5 Ca 0.35 -1.18 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 3gtq s ARG 5 Cb -0.12 -2.37 0.05 0.00 -1.56 0.00 0.00 34.95 30.95 3gtq s ARG 5 CO 0.28 0.41 0.39 1.19 -0.81 0.00 0.00 175.30 176.77 3gtq n PHE 6 N -0.71 -2.80 -3.39 5.12 3.01 -1.26 -4.01 117.46 113.42 3gtq n PHE 6 Ca -0.08 -0.94 -0.20 0.00 1.01 0.00 0.00 57.45 57.25 3gtq n PHE 6 Cb 0.57 -0.28 -0.01 0.00 -0.01 0.00 0.00 39.48 39.76 3gtq n PHE 6 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gtq n ARG 8 N -1.71 0.58 0.03 0.00 1.74 -1.26 -4.40 116.66 111.65 3gtq n ARG 8 Ca 0.05 0.49 -0.13 0.00 -0.77 0.00 0.00 57.85 57.49 3gtq n ARG 8 Cb 0.61 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 3gtq n ARG 8 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3gtq h ASP 9 N -0.96 -0.09 0.07 0.55 3.32 -2.01 -3.32 116.42 113.99 3gtq h ASP 9 Ca -0.44 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.24 3gtq h ASP 9 Cb 1.41 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.99 3gtq h ASP 9 CO -0.26 0.33 -0.86 0.00 -1.72 0.00 0.00 179.24 176.73 3gtq n ASN 11 N -1.31 -1.69 -3.64 0.00 5.15 -1.25 -5.00 115.26 107.53 3gtq n ASN 11 Ca 0.05 -0.37 -0.23 0.00 -0.60 0.00 0.00 54.58 53.42 3gtq n ASN 11 Cb 0.35 -0.57 -0.07 0.00 -0.53 0.00 0.00 39.78 38.95 3gtq n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gtq n ASN 12 N -0.57 0.66 -4.75 1.20 5.03 -1.26 -4.98 115.26 110.59 3gtq n ASN 12 Ca -0.11 -3.14 -0.41 0.00 0.87 0.00 0.00 54.58 51.80 3gtq n ASN 12 Cb 0.25 1.20 -0.03 0.00 -1.02 0.00 0.00 39.78 40.17 3gtq n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3gtq s MET 13 N -3.47 4.51 0.18 3.52 0.00 -1.26 -3.75 119.30 119.03 3gtq s MET 13 Ca 0.26 1.96 -0.02 0.00 0.00 0.00 0.00 55.69 57.88 3gtq s MET 13 Cb 0.01 -3.17 -0.05 0.00 0.00 0.00 0.00 34.83 31.63 3gtq s MET 13 CO 0.18 -0.01 0.39 -0.51 0.00 0.00 0.00 175.02 175.08 3gtq s LEU 14 N -1.15 4.23 0.03 4.11 1.43 -1.26 -4.59 118.68 121.50 3gtq s LEU 14 Ca 0.49 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.10 3gtq s LEU 14 Cb -0.35 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 3gtq s LEU 14 CO 0.43 -0.01 -0.12 -0.31 0.23 0.00 0.00 176.35 176.57 3gtq s TYR 15 N -1.80 1.02 0.30 0.29 1.51 0.24 -4.82 117.35 114.10 3gtq s TYR 15 Ca 0.40 -0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 55.99 3gtq s TYR 15 Cb -0.11 -0.61 -0.08 0.00 -0.11 0.00 0.00 41.96 41.04 3gtq s TYR 15 CO 0.28 0.01 0.68 -1.25 -1.11 0.00 0.00 175.55 174.15 3gtq s PRO 16 N -1.05 3.92 0.32 -1.71 0.04 -1.26 0.33 135.00 135.58 3gtq s PRO 16 Ca -0.00 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 3gtq s PRO 16 Cb -0.07 -2.49 0.07 0.00 0.04 0.00 0.00 34.50 32.04 3gtq s PRO 16 CO 0.01 0.19 0.90 0.50 0.04 0.00 0.00 177.00 178.63 3gtq s ARG 17 N -3.03 1.92 0.06 4.56 3.52 -0.72 -4.94 118.95 120.32 3gtq s ARG 17 Ca 0.52 -1.25 0.02 0.00 -0.13 0.00 0.00 55.73 54.89 3gtq s ARG 17 Cb -0.10 0.53 -0.04 0.00 -1.56 0.00 0.00 34.95 33.77 3gtq s ARG 17 CO 0.20 -0.90 0.12 -1.21 -0.81 0.00 0.00 175.30 172.70 3gtq s GLU 18 N -2.09 3.06 -0.65 5.12 2.02 -1.26 0.11 118.70 125.02 3gtq s GLU 18 Ca 0.19 -0.59 -0.25 0.00 0.02 0.00 0.00 54.97 54.33 3gtq s GLU 18 Cb -0.04 -2.83 0.05 0.00 0.10 0.00 0.00 34.13 31.40 3gtq s GLU 18 CO 0.09 0.59 1.09 -0.51 0.02 0.00 0.00 175.26 176.54 3gtq s ASP 19 N -2.33 6.25 0.37 -0.19 1.01 0.34 -4.84 116.67 117.27 3gtq s ASP 19 Ca 0.30 -0.52 0.18 0.00 0.71 0.00 0.00 52.55 53.22 3gtq s ASP 19 Cb -0.12 -2.49 0.70 0.00 1.01 0.00 0.00 42.92 42.02 3gtq s ASP 19 CO 0.23 -1.52 1.76 0.11 0.21 0.00 0.00 175.17 175.95 3gtq h LYS 20 N 9.65 0.00 0.00 8.23 1.57 -1.96 -1.72 116.57 132.33 3gtq h LYS 20 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3gtq h LYS 20 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3gtq h LYS 20 CO 1.19 0.39 0.00 0.39 -0.57 0.00 0.00 179.45 180.85 3gtq n GLU 21 N -3.65 0.00 -0.06 3.15 -0.58 -1.26 -3.94 120.64 114.30 3gtq n GLU 21 Ca -0.01 0.04 0.11 0.00 -0.42 0.00 0.00 57.16 56.88 3gtq n GLU 21 Cb 0.49 -0.89 0.42 0.00 -0.57 0.00 0.00 31.44 30.88 3gtq n GLU 21 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3gtq n ASN 22 N -0.62 1.43 -2.74 1.62 4.05 -1.26 -4.99 115.26 112.74 3gtq n ASN 22 Ca 0.00 -1.65 -0.02 0.00 0.45 0.00 0.00 54.58 53.36 3gtq n ASN 22 Cb 0.00 -0.08 0.00 0.00 1.23 0.00 0.00 39.78 40.93 3gtq n ASN 22 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3gtq n ASN 23 N 0.16 -7.97 -3.31 1.20 3.02 -0.77 -5.10 115.26 102.50 3gtq n ASN 23 Ca 0.16 1.17 -0.07 0.00 -0.03 0.00 0.00 54.58 55.81 3gtq n ASN 23 Cb 0.30 -5.33 0.01 0.00 -0.61 0.00 0.00 39.78 34.15 3gtq n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtq s ARG 24 N -1.90 1.92 0.14 3.52 3.03 -0.72 -4.98 118.95 119.97 3gtq s ARG 24 Ca 0.07 -1.18 0.03 0.00 2.03 0.00 0.00 55.73 56.68 3gtq s ARG 24 Cb -0.02 0.58 -0.04 0.00 -1.03 0.00 0.00 34.95 34.44 3gtq s ARG 24 CO 0.77 -0.89 0.22 -0.48 -1.13 0.00 0.00 175.30 173.79 3gtq s LEU 25 N -3.05 4.13 -0.40 -1.89 2.34 -1.26 0.13 118.68 118.67 3gtq s LEU 25 Ca 0.15 0.07 0.04 0.00 0.06 0.00 0.00 54.13 54.45 3gtq s LEU 25 Cb -0.05 -2.73 0.16 0.00 -0.56 0.00 0.00 46.19 43.02 3gtq s LEU 25 CO 0.09 0.08 0.42 -0.22 -1.06 0.00 0.00 176.35 175.65 3gtq s LEU 26 N -3.06 0.08 0.78 1.48 1.98 0.31 -2.45 118.68 117.80 3gtq s LEU 26 Ca 0.33 -1.94 -0.11 0.00 -2.89 0.00 0.00 54.13 49.52 3gtq s LEU 26 Cb -0.11 0.52 0.06 0.00 0.66 0.00 0.00 46.19 47.32 3gtq s LEU 26 CO 0.26 -0.21 1.10 -0.36 -1.89 0.00 0.00 176.35 175.25 3gtq s PHE 27 N 1.04 2.51 0.22 5.38 2.99 -0.75 -1.75 117.98 127.61 3gtq s PHE 27 Ca 0.22 1.57 -0.22 0.00 0.00 0.00 0.00 56.93 58.50 3gtq s PHE 27 Cb -0.09 -3.07 0.06 0.00 0.00 0.00 0.00 43.02 39.91 3gtq s PHE 27 CO -0.06 -1.87 0.92 -1.83 -0.00 0.00 0.00 175.22 172.38 3gtq s GLU 28 N -4.87 1.48 0.14 0.44 4.04 0.15 -1.44 118.70 118.64 3gtq s GLU 28 Ca 0.62 -0.88 0.08 0.00 0.04 0.00 0.00 54.97 54.82 3gtq s GLU 28 Cb -0.18 0.46 -0.04 0.00 0.02 0.00 0.00 34.13 34.40 3gtq s GLU 28 CO 0.56 -0.68 -0.17 0.00 -1.84 0.00 0.00 175.26 173.13 3gtq n ARG 30 N 0.44 2.69 -0.03 0.00 0.00 -1.26 -3.88 116.66 114.62 3gtq n ARG 30 Ca -0.14 -3.61 -0.06 0.00 -0.00 0.00 0.00 57.85 54.04 3gtq n ARG 30 Cb 0.57 -2.08 -0.03 0.00 -0.00 0.00 0.00 32.46 30.92 3gtq n ARG 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3gtq n THR 31 N -0.92 0.39 0.00 8.89 -2.24 -1.26 -5.03 114.28 114.11 3gtq n THR 31 Ca 0.43 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3gtq n THR 31 Cb 0.93 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3gtq n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtq n SER 33 N 0.00 0.00 -3.01 0.00 3.41 -1.25 -4.98 113.62 107.78 3gtq n SER 33 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 3gtq n SER 33 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gtq n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtq n TYR 34 N 0.00 -1.39 -3.90 7.33 9.36 -1.26 -4.65 117.16 122.64 3gtq n TYR 34 Ca 0.00 0.46 -0.11 0.00 3.32 0.00 0.00 57.90 61.57 3gtq n TYR 34 Cb 0.00 -1.25 -0.11 0.00 -0.63 0.00 0.00 39.34 37.35 3gtq n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3gtq s VAL 35 N -1.14 0.08 0.18 2.97 1.01 -1.26 -2.99 120.40 119.25 3gtq s VAL 35 Ca 0.42 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.81 3gtq s VAL 35 Cb -0.46 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3gtq s VAL 35 CO 0.44 -0.37 -0.21 -1.61 0.00 0.00 0.00 175.10 173.34 3gtq s GLU 36 N -1.25 1.38 0.38 2.72 2.02 -0.52 -4.96 118.70 118.47 3gtq s GLU 36 Ca -0.13 -1.45 -0.24 0.00 0.02 0.00 0.00 54.97 53.16 3gtq s GLU 36 Cb -0.08 -1.57 -0.09 0.00 0.10 0.00 0.00 34.13 32.49 3gtq s GLU 36 CO 0.01 0.33 1.01 -1.83 0.02 0.00 0.00 175.26 174.80 3gtq s GLU 37 N -2.69 4.29 0.11 1.61 -1.05 -1.26 -1.81 118.70 117.90 3gtq s GLU 37 Ca 0.18 1.42 -0.30 0.00 -0.15 0.00 0.00 54.97 56.12 3gtq s GLU 37 Cb -0.07 -2.58 -0.06 0.00 -0.44 0.00 0.00 34.13 30.98 3gtq s GLU 37 CO 0.08 -0.01 0.98 0.00 0.95 0.00 0.00 175.26 177.26 3gtq s ALA 38 N -1.70 3.25 0.63 -0.84 0.00 -1.02 -4.84 121.76 117.25 3gtq s ALA 38 Ca 0.56 0.60 0.27 0.00 0.00 0.00 0.00 51.96 53.39 3gtq s ALA 38 Cb -0.20 -3.29 1.43 0.00 0.00 0.00 0.00 23.12 21.06 3gtq s ALA 38 CO 0.25 -0.06 1.83 0.78 0.00 0.00 0.00 175.76 178.56 3gtq h GLY 39 N 5.63 0.00 -2.36 0.00 0.00 -1.94 -3.43 103.07 100.97 3gtq h GLY 39 Ca -0.43 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.99 3gtq h GLY 39 CO 0.72 0.00 0.31 -1.35 0.00 0.00 0.00 176.54 176.23 3gtq s SER 40 N -4.61 -0.30 0.00 0.19 1.04 -1.26 -5.04 113.70 103.72 3gtq s SER 40 Ca -0.03 -0.41 0.13 0.00 0.48 0.00 0.00 55.95 56.12 3gtq s SER 40 Cb 0.11 0.62 0.60 0.00 0.10 0.00 0.00 66.02 67.45 3gtq s SER 40 CO 0.37 -1.11 1.40 -0.81 0.98 0.00 0.00 173.24 174.07 3gtq n PRO 41 N -0.43 0.06 -3.00 4.02 -0.04 -1.26 -4.81 135.00 129.54 3gtq n PRO 41 Ca -0.07 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 3gtq n PRO 41 Cb 0.61 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 3gtq n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3gtq s LEU 42 N -2.86 4.20 -0.00 1.53 2.96 -1.26 -4.94 118.68 118.30 3gtq s LEU 42 Ca 0.08 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 3gtq s LEU 42 Cb 0.09 -3.09 -0.00 0.00 0.50 0.00 0.00 46.19 43.68 3gtq s LEU 42 CO 0.23 -0.29 0.00 0.52 -1.32 0.00 0.00 176.35 175.49 3gtq n VAL 43 N 4.49 0.01 -3.49 1.68 0.31 -1.26 -4.97 118.33 115.10 3gtq n VAL 43 Ca 0.01 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.25 3gtq n VAL 43 Cb 0.50 -0.38 -0.09 0.00 -0.91 0.00 0.00 33.84 32.96 3gtq n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3gtq s TYR 44 N -2.01 -0.80 -0.10 3.52 5.04 -1.26 -5.06 117.35 116.68 3gtq s TYR 44 Ca -0.00 1.13 0.03 0.00 -2.44 0.00 0.00 57.07 55.79 3gtq s TYR 44 Cb 0.00 0.14 -0.01 0.00 0.35 0.00 0.00 41.96 42.44 3gtq s TYR 44 CO 0.01 -0.60 -0.20 0.50 -1.34 0.00 0.00 175.55 173.91 3gtq s ARG 45 N 2.57 3.10 -0.17 4.97 3.52 -1.26 -5.05 118.95 126.63 3gtq s ARG 45 Ca 0.06 -0.81 -0.13 0.00 -0.13 0.00 0.00 55.73 54.72 3gtq s ARG 45 Cb -0.14 -2.40 -0.08 0.00 -1.56 0.00 0.00 34.95 30.77 3gtq s ARG 45 CO -0.14 0.22 -0.08 1.58 -0.81 0.00 0.00 175.30 176.07 3gtq n HIS 46 N 3.44 0.90 -1.35 5.12 -0.00 -1.26 -4.92 115.22 117.16 3gtq n HIS 46 Ca -0.19 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 3gtq n HIS 46 Cb 0.53 -0.86 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 3gtq n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3gtq n GLU 47 N -4.55 -3.46 0.06 1.57 -0.58 -1.26 -5.06 120.64 107.36 3gtq n GLU 47 Ca -0.16 2.56 0.00 0.00 -0.42 0.00 0.00 57.16 59.15 3gtq n GLU 47 Cb 0.41 -2.69 0.00 0.00 -0.57 0.00 0.00 31.44 28.59 3gtq n GLU 47 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gtq n LEU 48 N 0.69 0.52 -4.46 -4.62 4.77 -1.26 -4.88 117.00 107.77 3gtq n LEU 48 Ca 0.00 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.72 3gtq n LEU 48 Cb 0.00 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3gtq n LEU 48 CO 0.00 -0.59 0.91 -0.63 -1.33 0.00 0.00 177.39 175.75 3gtq s ILE 49 N -2.00 4.46 -0.03 -0.08 1.01 -1.26 -5.02 121.20 118.28 3gtq s ILE 49 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3gtq s ILE 49 Cb 0.00 -4.75 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 3gtq s ILE 49 CO 0.00 -1.52 -0.09 -0.89 0.00 0.00 0.00 174.94 172.44 3gtq s THR 50 N 3.55 3.51 -0.12 2.92 2.01 -1.26 -5.05 115.64 121.19 3gtq s THR 50 Ca 0.28 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 3gtq s THR 50 Cb -0.10 -2.46 -0.26 0.00 0.01 0.00 0.00 72.50 69.69 3gtq s THR 50 CO 0.00 0.52 0.41 0.78 -0.69 0.00 0.00 174.62 175.64 3gtq h ASN 51 N 4.99 0.36 -2.23 3.53 4.21 -1.95 -3.47 115.58 121.02 3gtq h ASN 51 Ca -0.48 -0.86 -0.55 0.00 1.21 0.00 0.00 56.30 55.62 3gtq h ASN 51 Cb 1.17 -0.12 0.02 0.00 -1.12 0.00 0.00 38.32 38.26 3gtq h ASN 51 CO 0.52 1.75 1.28 0.00 -1.29 0.00 0.00 177.43 179.69 3gtq n ILE 52 N -3.74 0.66 0.00 2.81 0.13 -1.26 -1.56 119.36 116.40 3gtq n ILE 52 Ca -0.30 -0.20 0.00 0.00 -1.10 0.00 0.00 62.75 61.15 3gtq n ILE 52 Cb 0.96 -2.32 0.00 0.00 -0.84 0.00 0.00 39.64 37.44 3gtq n ILE 52 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3gtq n GLY 53 N 4.82 1.49 0.00 4.50 0.00 -1.26 -5.02 105.19 109.73 3gtq n GLY 53 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3gtq n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtq n GLU 54 N 0.00 0.00 -1.52 1.61 1.02 -0.60 -1.63 120.64 119.52 3gtq n GLU 54 Ca 0.00 0.00 -0.50 0.00 -0.02 0.00 0.00 57.16 56.64 3gtq n GLU 54 Cb 0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 31.44 31.33 3gtq n GLU 54 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3gtq n THR 55 N 0.00 0.27 -3.99 2.62 5.66 -1.26 -2.46 114.28 115.12 3gtq n THR 55 Ca 0.00 -0.24 -0.12 0.00 -3.05 0.00 0.00 64.05 60.64 3gtq n THR 55 Cb 0.00 -1.76 -0.12 0.00 -1.55 0.00 0.00 70.33 66.90 3gtq n THR 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gtq s ALA 56 N 6.66 0.22 -1.32 1.79 0.00 -1.26 -4.88 121.76 122.98 3gtq s ALA 56 Ca 1.05 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.39 3gtq s ALA 56 Cb -0.79 0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.41 3gtq s ALA 56 CO 0.49 -0.05 0.49 0.41 0.00 0.00 0.00 175.76 177.10 3gtq n GLY 57 N 2.16 -0.60 3.53 0.00 0.00 -1.26 -4.90 105.19 104.11 3gtq n GLY 57 Ca -0.19 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3gtq n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtq s VAL 58 N -3.80 4.75 0.47 1.61 1.01 -1.26 -4.99 120.40 118.18 3gtq s VAL 58 Ca 0.31 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.60 3gtq s VAL 58 Cb -0.16 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.03 3gtq s VAL 58 CO 0.96 -0.66 0.62 0.52 0.00 0.00 0.00 175.10 176.54 3gtq n VAL 59 N 5.97 0.00 0.56 2.92 0.31 -1.26 -5.01 118.33 121.82 3gtq n VAL 59 Ca -0.00 -1.58 0.12 0.00 -0.01 0.00 0.00 64.34 62.88 3gtq n VAL 59 Cb 0.48 -0.56 0.25 0.00 -0.91 0.00 0.00 33.84 33.09 3gtq n VAL 59 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3gtq h GLN 60 N 0.00 0.00 0.00 5.55 5.75 -2.00 -3.34 115.11 121.08 3gtq h GLN 60 Ca -0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3gtq h GLN 60 Cb 1.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.56 3gtq h GLN 60 CO 0.32 0.00 -0.39 -0.44 -2.65 0.00 0.00 178.83 175.67 3gtq h ASP 61 N 0.00 0.00 -1.34 -0.69 3.32 -2.00 -3.37 116.42 112.33 3gtq h ASP 61 Ca 0.00 -0.09 0.46 0.00 0.02 0.00 0.00 57.03 57.42 3gtq h ASP 61 Cb 0.76 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.17 3gtq h ASP 61 CO 0.00 0.05 0.86 -0.29 -1.72 0.00 0.00 179.24 178.13 3gtq h ILE 62 N 0.00 0.05 0.00 0.35 6.09 -1.95 0.45 117.51 122.50 3gtq h ILE 62 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 3gtq h ILE 62 Cb 0.81 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.11 3gtq h ILE 62 CO 0.00 0.01 0.00 0.61 -3.07 0.00 0.00 178.15 175.70 3gtq n GLY 63 N -1.51 -0.26 0.00 8.18 0.00 -1.26 -1.87 105.19 108.47 3gtq n GLY 63 Ca 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.40 3gtq n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtq n SER 64 N -0.58 5.00 -4.68 1.61 3.41 0.16 -4.99 113.62 113.55 3gtq n SER 64 Ca 0.01 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.15 3gtq n SER 64 Cb 0.00 0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 64.58 3gtq n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtq n ASP 65 N -1.83 3.41 0.08 4.04 -0.08 -0.78 -4.84 116.55 116.55 3gtq n ASP 65 Ca -0.00 1.01 0.12 0.00 -1.51 0.00 0.00 54.79 54.41 3gtq n ASP 65 Cb 0.33 -1.41 0.24 0.00 2.34 0.00 0.00 41.12 42.61 3gtq n ASP 65 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3gtq h PRO 66 N 8.07 0.00 -0.17 -0.67 0.14 -1.94 -3.33 132.00 134.11 3gtq h PRO 66 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 3gtq h PRO 66 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.40 3gtq h PRO 66 CO 0.93 0.00 0.00 0.25 0.14 0.00 0.00 178.00 179.32 3gtq n THR 67 N -2.23 0.22 -4.94 1.56 -2.24 -1.26 -4.76 114.28 100.64 3gtq n THR 67 Ca 0.04 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 3gtq n THR 67 Cb 0.45 0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.64 3gtq n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gtq s LEU 68 N -1.05 2.53 0.34 3.22 1.43 -1.25 -5.12 118.68 118.77 3gtq s LEU 68 Ca 0.13 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 3gtq s LEU 68 Cb 0.07 -1.54 -0.10 0.00 0.03 0.00 0.00 46.19 44.66 3gtq s LEU 68 CO 0.09 0.20 0.84 -2.16 0.23 0.00 0.00 176.35 175.56 3gtq s PRO 69 N 0.11 4.22 -0.17 1.29 0.05 -1.26 -4.88 135.00 134.36 3gtq s PRO 69 Ca -0.08 0.96 -0.00 0.00 0.05 0.00 0.00 61.00 61.93 3gtq s PRO 69 Cb -0.15 -2.48 -0.00 0.00 0.05 0.00 0.00 34.50 31.91 3gtq s PRO 69 CO 0.05 0.16 -0.13 1.03 0.05 0.00 0.00 177.00 178.15 3gtq s ARG 70 N -2.72 3.24 0.50 4.56 0.52 -1.26 -3.16 118.95 120.63 3gtq s ARG 70 Ca 0.54 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 55.10 3gtq s ARG 70 Cb -0.12 -2.69 0.04 0.00 0.52 0.00 0.00 34.95 32.70 3gtq s ARG 70 CO 0.18 -0.03 0.69 -1.54 0.02 0.00 0.00 175.30 174.62 3gtq s SER 71 N 0.94 5.35 -0.32 0.23 1.04 -1.26 -5.02 113.70 114.66 3gtq s SER 71 Ca -0.03 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 55.95 3gtq s SER 71 Cb -0.15 -0.33 0.59 0.00 0.10 0.00 0.00 66.02 66.22 3gtq s SER 71 CO -0.02 -1.06 1.68 -0.90 0.98 0.00 0.00 173.24 173.93 3gtq n ASP 72 N -2.09 4.00 -3.59 7.02 3.85 -1.26 -4.71 116.55 119.77 3gtq n ASP 72 Ca 0.11 -3.15 -0.30 0.00 -0.71 0.00 0.00 54.79 50.74 3gtq n ASP 72 Cb 0.60 -0.74 0.26 0.00 -1.35 0.00 0.00 41.12 39.89 3gtq n ASP 72 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3gtq s ARG 73 N -2.62 -1.83 0.05 0.11 1.81 -1.26 -5.03 118.95 110.18 3gtq s ARG 73 Ca 0.46 -0.12 0.06 0.00 -1.72 0.00 0.00 55.73 54.40 3gtq s ARG 73 Cb 0.38 -1.53 -0.02 0.00 -0.45 0.00 0.00 34.95 33.32 3gtq s ARG 73 CO 0.10 -4.10 -0.17 -1.21 -0.68 0.00 0.00 175.30 169.25 3gtq s GLU 74 N -5.42 1.09 -0.40 3.54 2.02 -1.26 -4.36 118.70 113.91 3gtq s GLU 74 Ca 0.71 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 54.68 3gtq s GLU 74 Cb -0.09 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 33.00 3gtq s GLU 74 CO 0.56 0.29 0.43 0.00 0.02 0.00 0.00 175.26 176.56 3gtq n PRO 76 N 5.59 0.00 -0.00 0.00 -0.02 -1.26 -1.66 135.00 137.65 3gtq n PRO 76 Ca -0.07 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3gtq n PRO 76 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3gtq n PRO 76 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3gtq n LYS 77 N -3.16 0.02 -0.35 -0.52 2.85 -1.26 -4.72 118.16 111.03 3gtq n LYS 77 Ca 0.00 0.14 0.03 0.00 -1.05 0.00 0.00 58.31 57.43 3gtq n LYS 77 Cb 0.00 -0.68 0.09 0.00 -0.65 0.00 0.00 35.03 33.79 3gtq n LYS 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gtq n HIS 79 N -5.47 0.00 -2.43 0.00 8.25 -0.66 -4.99 115.22 109.91 3gtq n HIS 79 Ca 0.13 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.24 3gtq n HIS 79 Cb 0.43 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 3gtq n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3gtq s SER 80 N -2.84 6.20 -0.37 0.41 1.04 -1.26 -4.70 113.70 112.18 3gtq s SER 80 Ca 0.00 2.06 0.04 0.00 0.48 0.00 0.00 55.95 58.53 3gtq s SER 80 Cb 0.00 -2.57 0.57 0.00 0.10 0.00 0.00 66.02 64.12 3gtq s SER 80 CO 0.00 -0.88 1.76 0.54 0.98 0.00 0.00 173.24 175.63 3gtq n ARG 81 N -0.89 2.20 -4.05 4.02 1.74 -1.26 -3.53 116.66 114.89 3gtq n ARG 81 Ca 0.09 -2.53 -0.35 0.00 -0.77 0.00 0.00 57.85 54.29 3gtq n ARG 81 Cb 0.51 -2.00 -0.11 0.00 -1.02 0.00 0.00 32.46 29.84 3gtq n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3gtq s GLU 82 N -2.75 3.83 0.19 5.56 0.41 -1.26 -4.66 118.70 120.02 3gtq s GLU 82 Ca 0.48 -0.42 -0.04 0.00 -0.41 0.00 0.00 54.97 54.59 3gtq s GLU 82 Cb 0.40 -3.16 0.01 0.00 -1.78 0.00 0.00 34.13 29.60 3gtq s GLU 82 CO 0.10 0.17 0.31 0.27 -0.49 0.00 0.00 175.26 175.61 3gtq n ASN 83 N 3.83 -0.87 -3.64 -0.19 6.94 -1.26 -2.46 115.26 117.61 3gtq n ASN 83 Ca -0.17 -1.89 -0.04 0.00 -0.02 0.00 0.00 54.58 52.46 3gtq n ASN 83 Cb 0.52 1.54 -0.07 0.00 -2.36 0.00 0.00 39.78 39.41 3gtq n ASN 83 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gtq s VAL 84 N -2.60 0.00 0.17 3.53 0.11 -0.95 -4.64 120.40 116.02 3gtq s VAL 84 Ca 0.12 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 3gtq s VAL 84 Cb -0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 3gtq s VAL 84 CO 0.09 0.00 -0.04 0.72 -3.33 0.00 0.00 175.10 172.53 3gtq s PHE 85 N 1.19 1.28 -0.30 1.54 -0.12 -1.19 -1.77 117.98 118.61 3gtq s PHE 85 Ca -0.07 -0.89 -0.09 0.00 -0.05 0.00 0.00 56.93 55.82 3gtq s PHE 85 Cb -0.04 -0.71 0.17 0.00 -0.63 0.00 0.00 43.02 41.81 3gtq s PHE 85 CO -0.14 -0.06 0.84 -0.59 -0.05 0.00 0.00 175.22 175.22 3gtq s PHE 86 N -3.48 -1.02 0.07 3.49 -0.12 -1.12 -4.42 117.98 111.38 3gtq s PHE 86 Ca 0.21 1.34 -0.35 0.00 -0.05 0.00 0.00 56.93 58.08 3gtq s PHE 86 Cb 0.05 0.45 -0.15 0.00 -0.63 0.00 0.00 43.02 42.75 3gtq s PHE 86 CO 0.03 -0.54 1.56 1.04 -0.05 0.00 0.00 175.22 177.26 3gtq n GLN 87 N 5.33 1.78 0.00 1.99 6.02 -1.26 -3.58 117.38 127.65 3gtq n GLN 87 Ca -0.06 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 3gtq n GLN 87 Cb 0.52 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.40 3gtq n GLN 87 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3gtq n SER 88 N 3.73 0.00 0.26 1.08 2.88 -1.24 -4.82 113.62 115.51 3gtq n SER 88 Ca 0.19 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.83 3gtq n SER 88 Cb 0.25 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.39 3gtq n SER 88 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3gtq h GLN 89 N 0.00 0.00 -5.56 -1.46 1.08 -1.64 -3.37 115.11 104.16 3gtq h GLN 89 Ca 0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 3gtq h GLN 89 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 3gtq h GLN 89 CO 0.00 0.10 1.06 -1.14 -0.95 0.00 0.00 178.83 177.90 3gtq s GLN 90 N -4.56 2.61 -1.18 1.46 0.74 -0.64 -4.86 119.66 113.22 3gtq s GLN 90 Ca -0.04 -1.01 -0.20 0.00 0.05 0.00 0.00 55.36 54.16 3gtq s GLN 90 Cb 0.15 -5.22 0.06 0.00 1.10 0.00 0.00 33.01 29.10 3gtq s GLN 90 CO 0.63 -3.73 1.63 1.03 -0.55 0.00 0.00 175.29 174.30 3gtq s ARG 91 N 6.45 3.80 0.01 1.67 0.52 -1.26 -4.89 118.95 125.25 3gtq s ARG 91 Ca 0.68 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 3gtq s ARG 91 Cb -0.02 -5.46 0.00 0.00 0.52 0.00 0.00 34.95 29.99 3gtq s ARG 91 CO 0.09 -2.27 0.02 -2.13 0.02 0.00 0.00 175.30 171.03 3gtq n ARG 92 N 8.60 0.77 -0.04 3.54 0.63 -1.26 -5.07 116.66 123.84 3gtq n ARG 92 Ca 0.42 -0.05 -0.10 0.00 -0.92 0.00 0.00 57.85 57.21 3gtq n ARG 92 Cb 0.48 -0.01 -0.14 0.00 0.45 0.00 0.00 32.46 33.24 3gtq n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3gtq n LYS 93 N -1.03 0.65 0.00 -0.14 5.02 -1.26 -4.46 118.16 116.94 3gtq n LYS 93 Ca 0.00 0.23 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 3gtq n LYS 93 Cb 0.01 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 3gtq n LYS 93 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gtq n ASP 94 N -3.01 1.19 -4.52 4.39 3.85 -1.26 -5.02 116.55 112.17 3gtq n ASP 94 Ca -0.21 -1.10 -0.38 0.00 -0.71 0.00 0.00 54.79 52.39 3gtq n ASP 94 Cb 1.07 0.43 0.04 0.00 -1.35 0.00 0.00 41.12 41.31 3gtq n ASP 94 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3gtq n THR 95 N -0.21 2.71 -1.62 2.12 -2.24 -1.26 -4.97 114.28 108.80 3gtq n THR 95 Ca 0.04 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 3gtq n THR 95 Cb 0.19 -0.85 0.09 0.00 -2.10 0.00 0.00 70.33 67.67 3gtq n THR 95 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gtq s SER 96 N -1.16 4.44 -0.33 3.42 1.04 -1.26 -4.98 113.70 114.88 3gtq s SER 96 Ca 0.70 1.18 0.05 0.00 0.48 0.00 0.00 55.95 58.36 3gtq s SER 96 Cb -0.45 -1.87 0.56 0.00 0.10 0.00 0.00 66.02 64.36 3gtq s SER 96 CO 0.52 -1.99 1.69 0.23 0.98 0.00 0.00 173.24 174.68 3gtq n MET 97 N -3.43 2.44 -2.31 4.02 2.81 -1.26 -4.59 117.12 114.80 3gtq n MET 97 Ca 0.07 -2.43 -0.33 0.00 -1.81 0.00 0.00 57.70 53.20 3gtq n MET 97 Cb 0.57 -1.98 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 3gtq n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3gtq s VAL 98 N -2.59 4.02 0.12 2.03 1.01 -1.26 -4.90 120.40 118.83 3gtq s VAL 98 Ca 0.45 1.06 -0.08 0.00 0.00 0.00 0.00 61.98 63.41 3gtq s VAL 98 Cb 0.37 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 3gtq s VAL 98 CO 0.10 -0.47 0.41 -0.76 0.00 0.00 0.00 175.10 174.38 3gtq s LEU 99 N -4.04 4.29 -0.15 3.92 1.43 -1.26 -3.61 118.68 119.26 3gtq s LEU 99 Ca 0.63 0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3gtq s LEU 99 Cb -0.14 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 42.91 3gtq s LEU 99 CO 0.29 0.09 -0.08 -0.36 0.23 0.00 0.00 176.35 176.53 3gtq s PHE 100 N -1.55 1.76 -0.15 0.29 0.40 -1.23 -2.77 117.98 114.73 3gtq s PHE 100 Ca 0.38 -1.04 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 3gtq s PHE 100 Cb -0.13 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 3gtq s PHE 100 CO 0.21 -0.60 -0.02 -0.06 0.70 0.00 0.00 175.22 175.45 3gtq s PHE 101 N 1.62 3.07 -0.22 0.36 0.40 0.20 -2.80 117.98 120.60 3gtq s PHE 101 Ca 0.03 -0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 3gtq s PHE 101 Cb -0.14 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 3gtq s PHE 101 CO -0.08 0.07 0.10 0.08 0.70 0.00 0.00 175.22 176.09 3gtq s VAL 102 N 0.16 4.95 0.55 -0.44 1.01 -0.73 0.64 120.40 126.55 3gtq s VAL 102 Ca -0.00 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 3gtq s VAL 102 Cb -0.13 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3gtq s VAL 102 CO 0.02 0.39 1.12 0.00 0.00 0.00 0.00 175.10 176.63 3gtq n LEU 104 N -1.44 0.51 -0.06 0.00 7.99 -1.03 -2.81 117.00 120.17 3gtq n LEU 104 Ca 0.11 0.04 -0.05 0.00 -0.01 0.00 0.00 56.01 56.10 3gtq n LEU 104 Cb 0.51 -0.24 -0.10 0.00 -0.11 0.00 0.00 43.42 43.47 3gtq n LEU 104 CO 0.43 0.10 -0.91 -1.20 -1.51 0.00 0.00 177.39 174.30 3gtq n SER 105 N -1.59 1.74 0.00 -1.43 7.64 -1.26 -4.59 113.62 114.13 3gtq n SER 105 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3gtq n SER 105 Cb 0.35 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 3gtq n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtq n SER 107 N -0.05 -3.43 -4.74 0.00 7.64 -1.12 -4.92 113.62 106.99 3gtq n SER 107 Ca 0.00 0.07 -0.39 0.00 1.01 0.00 0.00 58.87 59.56 3gtq n SER 107 Cb 0.06 -2.92 -0.05 0.00 -1.01 0.00 0.00 64.21 60.29 3gtq n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3gtq s HIS 108 N -2.62 3.63 -0.45 1.43 5.65 -1.26 -4.65 115.29 117.03 3gtq s HIS 108 Ca 0.12 1.23 -0.15 0.00 0.25 0.00 0.00 55.06 56.50 3gtq s HIS 108 Cb -0.06 -2.72 0.05 0.00 -1.18 0.00 0.00 32.58 28.67 3gtq s HIS 108 CO 0.14 0.21 0.37 0.42 -0.65 0.00 0.00 174.74 175.23 3gtq s ILE 109 N 0.32 5.23 0.55 0.89 1.09 -1.26 -1.36 121.20 126.66 3gtq s ILE 109 Ca 0.34 -0.88 0.05 0.00 -1.10 0.00 0.00 60.65 59.06 3gtq s ILE 109 Cb -0.18 -4.06 0.03 0.00 -1.06 0.00 0.00 42.46 37.20 3gtq s ILE 109 CO 0.18 -0.48 0.35 0.72 -0.10 0.00 0.00 174.94 175.61 3gtq s PHE 110 N 1.69 1.61 0.14 3.97 -0.12 0.21 -4.90 117.98 120.57 3gtq s PHE 110 Ca 0.05 -0.87 0.00 0.00 -0.05 0.00 0.00 56.93 56.06 3gtq s PHE 110 Cb -0.22 -1.86 -0.04 0.00 -0.63 0.00 0.00 43.02 40.27 3gtq s PHE 110 CO 0.08 -0.40 0.02 0.99 -0.05 0.00 0.00 175.22 175.86 3gtq s THR 111 N -2.80 0.38 -2.36 -4.49 2.01 -1.26 0.58 115.64 107.70 3gtq s THR 111 Ca 0.29 -1.93 0.20 0.00 0.31 0.00 0.00 61.69 60.57 3gtq s THR 111 Cb -0.02 -1.99 0.12 0.00 0.01 0.00 0.00 72.50 70.62 3gtq s THR 111 CO 0.18 -0.56 1.11 -1.54 -0.69 0.00 0.00 174.62 173.12 3gtq n SER 112 N -0.12 2.48 -4.65 3.53 3.41 -1.11 -4.94 113.62 112.21 3gtq n SER 112 Ca -0.07 -1.74 -0.43 0.00 -0.26 0.00 0.00 58.87 56.37 3gtq n SER 112 Cb 0.63 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 3gtq n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtq s ASP 113 N -1.87 6.75 0.15 4.04 -1.08 -1.26 -4.91 116.67 118.50 3gtq s ASP 113 Ca 0.22 1.76 0.24 0.00 -0.52 0.00 0.00 52.55 54.25 3gtq s ASP 113 Cb 0.17 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.49 3gtq s ASP 113 CO 0.33 -0.92 1.39 1.56 0.52 0.00 0.00 175.17 178.05 3gtq h GLN 114 N 9.06 0.00 0.00 4.34 4.20 -2.02 -3.47 115.11 127.22 3gtq h GLN 114 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3gtq h GLN 114 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3gtq h GLN 114 CO 0.98 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 180.77 3gtq n LYS 115 N -2.22 1.55 -1.21 1.46 5.02 -1.26 -5.10 118.16 116.41 3gtq n LYS 115 Ca 0.03 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.48 3gtq n LYS 115 Cb 0.45 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.41 3gtq n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gtq n ASN 116 N -1.91 -7.21 -4.17 4.39 4.13 -1.26 -4.95 115.26 104.28 3gtq n ASN 116 Ca 0.00 0.72 -0.27 0.00 1.68 0.00 0.00 54.58 56.71 3gtq n ASN 116 Cb 0.00 -3.80 -0.16 0.00 -1.54 0.00 0.00 39.78 34.28 3gtq n ASN 116 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3gtq s LYS 117 N -2.67 1.88 -0.07 3.52 1.02 -1.26 -5.14 119.74 117.02 3gtq s LYS 117 Ca 0.00 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 55.33 3gtq s LYS 117 Cb 0.00 -1.66 0.01 0.00 -0.52 0.00 0.00 37.83 35.67 3gtq s LYS 117 CO 0.00 0.31 -0.12 1.03 -0.92 0.00 0.00 175.35 175.64 3gtq s ARG 118 N -0.10 1.72 0.02 1.68 1.81 -1.26 -4.96 118.95 117.86 3gtq s ARG 118 Ca -0.01 -0.42 0.00 0.00 -1.72 0.00 0.00 55.73 53.58 3gtq s ARG 118 Cb -0.11 -1.43 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 3gtq s ARG 118 CO 0.02 0.02 0.00 2.41 -0.68 0.00 0.00 175.30 177.07 3gtq n THR 119 N 3.84 0.17 0.00 0.02 -1.04 -1.26 -5.20 114.28 110.80 3gtq n THR 119 Ca -0.23 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3gtq n THR 119 Cb 0.52 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 3gtq n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43