#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g19 n LYS 37 N 0.00 0.56 -1.58 3.69 4.81 -1.26 -5.12 118.16 119.25 3g19 n LYS 37 Ca 0.00 -2.02 -0.55 0.00 -0.87 0.00 0.00 58.31 54.87 3g19 n LYS 37 Cb 0.00 -1.47 -0.07 0.00 0.02 0.00 0.00 35.03 33.51 3g19 n LYS 37 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3g19 n PRO 38 N 2.85 1.11 -2.34 1.64 -0.02 -1.26 -4.88 135.00 132.10 3g19 n PRO 38 Ca 0.17 0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 61.83 3g19 n PRO 38 Cb 0.56 -2.21 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3g19 n PRO 38 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3g19 n SER 39 N 7.14 3.97 -4.97 2.55 7.64 -1.26 -4.95 113.62 123.74 3g19 n SER 39 Ca 0.34 -3.35 -0.21 0.00 1.01 0.00 0.00 58.87 56.66 3g19 n SER 39 Cb 0.16 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3g19 n SER 39 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g19 s LEU 40 N -3.58 3.96 -0.04 -3.43 1.43 -1.26 -4.46 118.68 111.30 3g19 s LEU 40 Ca 0.44 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 3g19 s LEU 40 Cb 0.40 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.67 3g19 s LEU 40 CO -0.03 -0.42 -0.11 -0.31 0.23 0.00 0.00 176.35 175.71 3g19 s TYR 41 N -2.26 1.20 0.09 0.29 1.51 0.15 -1.31 117.35 117.01 3g19 s TYR 41 Ca 0.43 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.95 3g19 s TYR 41 Cb -0.10 -0.86 -0.07 0.00 -0.11 0.00 0.00 41.96 40.82 3g19 s TYR 41 CO 0.33 -0.16 0.57 -0.98 -1.11 0.00 0.00 175.55 174.19 3g19 s ARG 42 N 0.35 4.16 -0.19 -0.62 1.70 -0.20 -0.91 118.95 123.25 3g19 s ARG 42 Ca -0.07 0.70 -0.09 0.00 -0.47 0.00 0.00 55.73 55.80 3g19 s ARG 42 Cb -0.12 -3.18 -0.04 0.00 -0.57 0.00 0.00 34.95 31.04 3g19 s ARG 42 CO 0.02 0.61 0.09 0.08 -1.08 0.00 0.00 175.30 175.02 3g19 s VAL 43 N -1.18 5.04 0.00 4.99 1.01 -0.24 -1.92 120.40 128.11 3g19 s VAL 43 Ca 0.31 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3g19 s VAL 43 Cb -0.19 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3g19 s VAL 43 CO 0.19 0.44 -0.09 -0.76 0.00 0.00 0.00 175.10 174.88 3g19 s LEU 44 N 0.42 3.06 -0.14 3.92 1.43 0.20 -0.23 118.68 127.34 3g19 s LEU 44 Ca 0.05 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3g19 s LEU 44 Cb -0.12 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 3g19 s LEU 44 CO -0.00 0.29 -0.17 -0.63 0.23 0.00 0.00 176.35 176.06 3g19 s ILE 45 N -0.96 2.54 0.18 -0.59 1.01 -0.75 -1.11 121.20 121.53 3g19 s ILE 45 Ca 0.16 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 3g19 s ILE 45 Cb -0.11 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 3g19 s ILE 45 CO 0.06 0.53 0.43 -0.76 0.00 0.00 0.00 174.94 175.20 3g19 s LEU 46 N 0.62 4.22 0.49 2.97 1.02 -0.59 -1.90 118.68 125.51 3g19 s LEU 46 Ca -0.10 0.63 -0.19 0.00 0.02 0.00 0.00 54.13 54.50 3g19 s LEU 46 Cb -0.16 -3.38 -0.08 0.00 0.02 0.00 0.00 46.19 42.58 3g19 s LEU 46 CO 0.03 -0.01 1.00 0.21 0.02 0.00 0.00 176.35 177.60 3g19 s ASN 47 N -2.59 6.54 0.23 2.29 2.47 -0.32 -4.37 114.94 119.19 3g19 s ASN 47 Ca 0.42 1.73 -0.12 0.00 0.42 0.00 0.00 52.86 55.31 3g19 s ASN 47 Cb -0.12 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.14 3g19 s ASN 47 CO 0.25 -0.64 0.44 1.51 -3.72 0.00 0.00 177.10 174.94 3g19 s ASP 48 N -2.49 -0.08 0.00 -4.21 1.47 -1.26 -4.94 116.67 105.16 3g19 s ASP 48 Ca 0.62 -0.91 0.16 0.00 1.18 0.00 0.00 52.55 53.60 3g19 s ASP 48 Cb -0.12 0.56 0.47 0.00 -0.34 0.00 0.00 42.92 43.48 3g19 s ASP 48 CO 0.24 -1.09 1.38 0.47 0.68 0.00 0.00 175.17 176.85 3g19 n ASP 49 N -0.35 2.62 -0.00 2.11 8.00 -1.26 -4.41 116.55 123.26 3g19 n ASP 49 Ca -0.03 -1.97 -0.00 0.00 0.71 0.00 0.00 54.79 53.50 3g19 n ASP 49 Cb 0.62 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3g19 n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3g19 n TYR 50 N 0.93 0.00 -2.07 1.24 4.01 -1.26 -5.02 117.16 115.00 3g19 n TYR 50 Ca 0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 3g19 n TYR 50 Cb 0.42 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.41 3g19 n TYR 50 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3g19 s THR 51 N -2.01 3.03 0.34 -0.72 2.01 -1.26 -4.96 115.64 112.07 3g19 s THR 51 Ca -0.00 0.73 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 3g19 s THR 51 Cb 0.00 -3.47 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 3g19 s THR 51 CO 0.01 0.05 1.30 -2.84 -0.69 0.00 0.00 174.62 172.45 3g19 s PRO 52 N 1.21 4.33 0.24 4.92 0.02 -1.26 -4.92 135.00 139.53 3g19 s PRO 52 Ca 0.67 2.20 -0.06 0.00 0.02 0.00 0.00 61.00 63.83 3g19 s PRO 52 Cb -0.40 -3.04 0.43 0.00 0.02 0.00 0.00 34.50 31.51 3g19 s PRO 52 CO 0.31 -0.20 1.69 0.52 -0.33 0.00 0.00 177.00 178.98 3g19 h MET 53 N 3.32 0.25 -0.99 5.54 2.86 -1.99 -0.99 114.93 122.93 3g19 h MET 53 Ca -0.49 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.30 3g19 h MET 53 Cb 1.23 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 32.73 3g19 h MET 53 CO 0.65 0.17 0.60 0.93 1.06 0.00 0.00 176.91 180.32 3g19 h GLU 54 N 0.26 0.80 -0.41 1.72 4.39 -2.00 -1.53 114.58 117.82 3g19 h GLU 54 Ca 0.40 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.98 3g19 h GLU 54 Cb 0.67 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3g19 h GLU 54 CO -0.50 0.53 -0.01 0.35 -1.16 0.00 0.00 179.01 178.22 3g19 h PHE 55 N 0.82 0.79 -0.80 4.33 3.57 -1.56 -1.95 116.94 122.14 3g19 h PHE 55 Ca 0.54 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 3g19 h PHE 55 Cb 0.75 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3g19 h PHE 55 CO -0.01 0.80 0.38 0.28 -2.23 0.00 0.00 178.31 177.53 3g19 h VAL 56 N 0.55 1.25 -0.80 1.41 2.07 -1.12 -0.98 116.25 118.64 3g19 h VAL 56 Ca 0.11 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3g19 h VAL 56 Cb 0.49 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3g19 h VAL 56 CO 0.02 0.30 0.39 0.58 0.02 0.00 0.00 177.57 178.88 3g19 h VAL 57 N 1.14 1.25 -0.19 2.57 2.07 -1.19 -1.91 116.25 119.99 3g19 h VAL 57 Ca 0.28 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3g19 h VAL 57 Cb 0.12 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3g19 h VAL 57 CO -0.03 0.29 0.11 0.22 0.02 0.00 0.00 177.57 178.18 3g19 h TYR 58 N 1.13 0.22 -0.23 1.57 3.20 -0.49 -0.71 116.97 121.66 3g19 h TYR 58 Ca 0.28 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 3g19 h TYR 58 Cb 0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3g19 h TYR 58 CO 0.01 0.13 -0.19 -0.39 -1.64 0.00 0.00 178.16 176.09 3g19 h VAL 59 N 0.24 1.24 -0.15 1.81 -1.51 -0.99 -1.35 116.25 115.54 3g19 h VAL 59 Ca 0.07 -1.08 -0.09 0.00 -1.23 0.00 0.00 66.70 64.37 3g19 h VAL 59 Cb -0.01 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3g19 h VAL 59 CO -0.03 0.34 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.31 3g19 h LEU 60 N 0.36 0.50 -0.86 4.19 3.38 -1.14 -0.31 115.31 121.43 3g19 h LEU 60 Ca 0.06 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 3g19 h LEU 60 Cb 0.54 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3g19 h LEU 60 CO 0.04 0.95 -0.04 -0.33 0.09 0.00 0.00 178.44 179.15 3g19 h GLU 61 N 0.06 0.81 0.00 1.13 5.08 -0.99 -1.51 114.58 119.16 3g19 h GLU 61 Ca 0.01 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3g19 h GLU 61 Cb 0.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3g19 h GLU 61 CO 0.06 0.84 -0.26 -2.13 -1.00 0.00 0.00 179.01 176.51 3g19 n ARG 62 N -4.19 0.23 0.06 2.33 0.63 -0.52 -3.15 116.66 112.03 3g19 n ARG 62 Ca 0.02 0.37 0.10 0.00 -0.92 0.00 0.00 57.85 57.43 3g19 n ARG 62 Cb 0.33 -1.20 0.43 0.00 0.45 0.00 0.00 32.46 32.46 3g19 n ARG 62 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3g19 n PHE 63 N -3.43 0.39 -0.86 -0.14 3.72 -0.13 -2.85 117.46 114.16 3g19 n PHE 63 Ca -0.04 0.14 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 3g19 n PHE 63 Cb 0.14 -0.73 0.03 0.00 -0.94 0.00 0.00 39.48 37.98 3g19 n PHE 63 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3g19 n PHE 64 N -1.85 0.00 -2.49 1.38 3.72 -1.05 -4.95 117.46 112.23 3g19 n PHE 64 Ca 0.04 -0.38 -0.14 0.00 -0.05 0.00 0.00 57.45 56.91 3g19 n PHE 64 Cb 0.25 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 3g19 n PHE 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3g19 n ASN 65 N -0.48 -4.23 -4.79 4.37 5.03 -1.07 -4.88 115.26 109.21 3g19 n ASN 65 Ca 0.03 0.13 -0.37 0.00 0.87 0.00 0.00 54.58 55.25 3g19 n ASN 65 Cb 0.48 -3.57 -0.06 0.00 -1.02 0.00 0.00 39.78 35.61 3g19 n ASN 65 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3g19 s LYS 66 N -5.09 4.49 0.91 3.52 -0.14 -0.59 -4.97 119.74 117.87 3g19 s LYS 66 Ca 0.02 1.21 -0.12 0.00 -1.36 0.00 0.00 55.97 55.72 3g19 s LYS 66 Cb -0.01 -2.79 0.14 0.00 -1.68 0.00 0.00 37.83 33.48 3g19 s LYS 66 CO 0.03 0.30 1.10 -1.54 -0.76 0.00 0.00 175.35 174.47 3g19 s SER 67 N -1.65 3.36 0.16 2.83 1.04 -1.26 -4.28 113.70 113.89 3g19 s SER 67 Ca 0.49 1.33 -0.15 0.00 0.48 0.00 0.00 55.95 58.09 3g19 s SER 67 Cb -0.18 -2.00 0.07 0.00 0.10 0.00 0.00 66.02 64.01 3g19 s SER 67 CO 0.23 -2.69 1.78 -0.09 0.98 0.00 0.00 173.24 173.44 3g19 h ARG 68 N -1.59 0.39 -0.50 4.02 2.43 -1.98 -0.33 114.38 116.83 3g19 h ARG 68 Ca -0.51 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3g19 h ARG 68 Cb 1.30 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 3g19 h ARG 68 CO 0.57 0.26 0.27 1.05 -1.51 0.00 0.00 179.97 180.61 3g19 h GLU 69 N 0.40 0.70 -0.33 0.20 4.11 -1.99 -1.20 114.58 116.47 3g19 h GLU 69 Ca 0.17 -0.08 -0.17 0.00 0.07 0.00 0.00 59.36 59.35 3g19 h GLU 69 Cb 0.08 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3g19 h GLU 69 CO -0.12 0.55 -0.46 -0.44 0.07 0.00 0.00 179.01 178.61 3g19 h ASP 70 N 0.66 0.94 -0.53 3.06 3.32 -1.88 -1.73 116.42 120.26 3g19 h ASP 70 Ca 0.18 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 3g19 h ASP 70 Cb 0.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3g19 h ASP 70 CO -0.03 1.25 0.21 0.00 -1.72 0.00 0.00 179.24 178.95 3g19 h ALA 71 N 0.78 0.69 0.20 3.45 0.00 -0.93 -1.68 119.26 121.78 3g19 h ALA 71 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g19 h ALA 71 Cb 1.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3g19 h ALA 71 CO 0.10 0.30 -0.13 1.15 0.00 0.00 0.00 179.25 180.67 3g19 h THR 72 N 0.72 0.71 -0.29 0.00 2.02 -1.15 -0.39 112.91 114.53 3g19 h THR 72 Ca 0.18 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 3g19 h THR 72 Cb 0.20 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.24 3g19 h THR 72 CO -0.01 0.00 -0.27 -0.09 0.37 0.00 0.00 175.52 175.52 3g19 h ARG 73 N -0.33 -0.24 -0.77 6.66 2.43 -1.15 -0.37 114.38 120.60 3g19 h ARG 73 Ca -0.02 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3g19 h ARG 73 Cb 0.28 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3g19 h ARG 73 CO 0.01 -0.16 0.35 0.82 -1.51 0.00 0.00 179.97 179.48 3g19 h ILE 74 N -0.25 1.25 -0.32 1.20 2.04 -1.21 -1.24 117.51 118.98 3g19 h ILE 74 Ca 0.15 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3g19 h ILE 74 Cb 0.49 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3g19 h ILE 74 CO -0.43 0.31 0.21 -0.03 0.00 0.00 0.00 178.15 178.20 3g19 h MET 75 N 1.10 0.41 -0.10 2.37 4.05 -0.41 -0.89 114.93 121.45 3g19 h MET 75 Ca 0.26 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.59 3g19 h MET 75 Cb 0.15 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3g19 h MET 75 CO -0.03 0.27 -0.25 -0.07 0.23 0.00 0.00 176.91 177.07 3g19 h LEU 76 N 0.42 0.17 -0.69 3.39 3.38 -0.80 -0.93 115.31 120.25 3g19 h LEU 76 Ca 0.12 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3g19 h LEU 76 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3g19 h LEU 76 CO -0.03 0.42 -0.11 -0.74 0.09 0.00 0.00 178.44 178.08 3g19 h HIS 77 N 0.16 0.99 -0.12 1.13 2.76 -0.67 -0.24 115.15 119.15 3g19 h HIS 77 Ca 0.03 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 57.99 3g19 h HIS 77 Cb 0.53 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3g19 h HIS 77 CO 0.01 0.95 0.04 0.28 -1.30 0.00 0.00 177.93 177.91 3g19 h VAL 78 N 0.80 1.17 -0.55 5.26 2.07 -0.58 0.25 116.25 124.67 3g19 h VAL 78 Ca 0.13 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3g19 h VAL 78 Cb 0.63 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3g19 h VAL 78 CO 0.04 0.15 0.18 -0.74 0.02 0.00 0.00 177.57 177.23 3g19 h HIS 79 N 0.02 0.82 0.07 1.57 6.17 -0.99 -0.02 115.15 122.79 3g19 h HIS 79 Ca 0.04 -0.06 -0.37 0.00 0.71 0.00 0.00 60.37 60.69 3g19 h HIS 79 Cb 0.21 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 29.85 3g19 h HIS 79 CO -0.01 0.66 -2.16 1.04 0.71 0.00 0.00 177.93 178.17 3g19 n GLN 80 N -4.31 0.71 -0.00 5.26 6.02 -0.12 -4.50 117.38 120.45 3g19 n GLN 80 Ca 0.04 0.22 0.10 0.00 -0.01 0.00 0.00 57.00 57.35 3g19 n GLN 80 Cb 0.19 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 29.69 3g19 n GLN 80 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3g19 n ASN 81 N -3.35 0.65 0.00 1.08 4.13 0.87 -4.98 115.26 113.65 3g19 n ASN 81 Ca -0.36 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.30 3g19 n ASN 81 Cb 1.03 1.26 0.00 0.00 -1.54 0.00 0.00 39.78 40.53 3g19 n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3g19 n GLY 82 N 1.41 1.59 3.45 7.41 0.00 -0.02 -5.00 105.19 114.03 3g19 n GLY 82 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3g19 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g19 s VAL 83 N -2.33 0.01 -0.05 1.61 0.11 -1.24 -1.18 120.40 117.34 3g19 s VAL 83 Ca 0.00 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 3g19 s VAL 83 Cb 0.00 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.97 3g19 s VAL 83 CO 0.00 -0.06 0.17 -0.83 -3.33 0.00 0.00 175.10 171.04 3g19 s GLY 84 N -1.15 -0.10 -0.27 6.54 0.00 -0.80 -4.04 107.32 107.50 3g19 s GLY 84 Ca -0.11 0.39 -0.24 0.00 0.00 0.00 0.00 44.72 44.76 3g19 s GLY 84 CO 0.08 0.31 0.79 0.14 0.00 0.00 0.00 173.10 174.42 3g19 s VAL 85 N -0.13 4.83 -0.07 1.40 1.01 -1.26 -1.82 120.40 124.36 3g19 s VAL 85 Ca -0.02 1.34 0.13 0.00 0.00 0.00 0.00 61.98 63.43 3g19 s VAL 85 Cb -0.02 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 3g19 s VAL 85 CO 0.00 -0.15 1.15 0.00 0.00 0.00 0.00 175.10 176.10 3g19 n GLY 87 N 1.34 0.28 3.08 0.00 0.00 -1.25 -4.96 105.19 103.68 3g19 n GLY 87 Ca -0.04 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3g19 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g19 s VAL 88 N -1.95 1.57 0.28 1.61 1.01 -1.26 -1.08 120.40 120.58 3g19 s VAL 88 Ca 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3g19 s VAL 88 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3g19 s VAL 88 CO 0.00 0.46 0.22 -0.31 0.00 0.00 0.00 175.10 175.46 3g19 s TYR 89 N 0.92 1.53 0.95 5.22 2.02 -0.09 -4.89 117.35 123.02 3g19 s TYR 89 Ca -0.08 -1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 54.97 3g19 s TYR 89 Cb -0.15 -0.67 0.16 0.00 -0.40 0.00 0.00 41.96 40.90 3g19 s TYR 89 CO -0.01 -0.76 1.10 0.95 -1.57 0.00 0.00 175.55 175.26 3g19 s THR 90 N -3.72 2.37 0.15 -0.71 -4.23 -1.26 0.32 115.64 108.55 3g19 s THR 90 Ca 0.40 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.85 3g19 s THR 90 Cb 0.04 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.57 3g19 s THR 90 CO 0.21 -0.16 1.72 0.22 -0.54 0.00 0.00 174.62 176.08 3g19 h TYR 91 N -1.87 0.05 -0.12 3.99 3.20 -1.93 -0.19 116.97 120.09 3g19 h TYR 91 Ca -0.49 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.43 3g19 h TYR 91 Cb 1.28 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.54 3g19 h TYR 91 CO 0.44 -0.01 -0.07 0.93 -1.64 0.00 0.00 178.16 177.82 3g19 h GLU 92 N 0.14 -0.06 -0.56 1.82 5.08 -1.98 -0.06 114.58 118.97 3g19 h GLU 92 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3g19 h GLU 92 Cb 0.17 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3g19 h GLU 92 CO -0.21 -0.04 0.17 0.28 -1.00 0.00 0.00 179.01 178.21 3g19 h VAL 93 N -0.06 1.24 -0.17 3.13 2.07 -1.86 -1.21 116.25 119.39 3g19 h VAL 93 Ca 0.07 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3g19 h VAL 93 Cb 0.16 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3g19 h VAL 93 CO -0.16 0.30 0.10 0.00 0.02 0.00 0.00 177.57 177.83 3g19 h ALA 94 N 1.04 0.21 -1.00 1.67 0.00 -0.79 0.48 119.26 120.88 3g19 h ALA 94 Ca 0.18 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3g19 h ALA 94 Cb 0.29 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3g19 h ALA 94 CO -0.00 -0.27 0.64 1.49 0.00 0.00 0.00 179.25 181.10 3g19 h GLU 95 N 0.19 1.13 0.09 0.00 4.81 -0.84 -0.52 114.58 119.43 3g19 h GLU 95 Ca 0.06 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3g19 h GLU 95 Cb 0.04 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.16 3g19 h GLU 95 CO -0.01 0.75 -0.04 1.15 -0.73 0.00 0.00 179.01 180.12 3g19 h THR 96 N 1.16 1.07 -0.72 0.32 2.02 -0.74 -2.77 112.91 113.26 3g19 h THR 96 Ca 0.43 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 3g19 h THR 96 Cb 0.17 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3g19 h THR 96 CO -0.17 0.15 0.19 0.11 0.37 0.00 0.00 175.52 176.16 3g19 h LYS 97 N -0.40 1.13 -0.44 6.66 1.57 -0.61 -0.32 116.57 124.18 3g19 h LYS 97 Ca -0.01 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3g19 h LYS 97 Cb 0.34 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3g19 h LYS 97 CO 0.02 0.99 0.22 0.28 -0.57 0.00 0.00 179.45 180.39 3g19 h VAL 98 N 1.08 0.98 -0.55 0.50 2.07 -1.15 -0.02 116.25 119.16 3g19 h VAL 98 Ca 0.23 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3g19 h VAL 98 Cb 0.35 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3g19 h VAL 98 CO -0.00 0.08 0.28 0.00 0.02 0.00 0.00 177.57 177.95 3g19 h ALA 99 N 1.23 0.71 -0.51 1.67 0.00 -1.15 -2.17 119.26 119.04 3g19 h ALA 99 Ca 0.19 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3g19 h ALA 99 Cb 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3g19 h ALA 99 CO -0.13 0.26 0.25 1.96 0.00 0.00 0.00 179.25 181.59 3g19 h GLN 100 N 0.74 0.47 -0.03 0.00 4.20 -0.57 -0.62 115.11 119.31 3g19 h GLN 100 Ca 0.19 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3g19 h GLN 100 Cb 0.09 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3g19 h GLN 100 CO -0.03 0.31 0.01 0.28 -0.67 0.00 0.00 178.83 178.74 3g19 h VAL 101 N 0.49 1.10 -0.31 -0.54 2.07 -0.72 -0.86 116.25 117.48 3g19 h VAL 101 Ca 0.23 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 3g19 h VAL 101 Cb 0.15 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3g19 h VAL 101 CO -0.17 0.08 -0.30 0.40 0.02 0.00 0.00 177.57 177.61 3g19 h ILE 102 N -0.07 1.30 -0.43 4.57 2.04 -1.30 0.42 117.51 124.03 3g19 h ILE 102 Ca 0.01 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.44 3g19 h ILE 102 Cb 0.12 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3g19 h ILE 102 CO -0.00 0.47 0.22 -0.78 0.00 0.00 0.00 178.15 178.06 3g19 h ASP 103 N 0.51 0.31 -0.19 1.72 3.58 -1.11 -0.19 116.42 121.05 3g19 h ASP 103 Ca 0.05 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.53 3g19 h ASP 103 Cb 0.87 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 3g19 h ASP 103 CO 0.07 0.23 0.09 -1.28 -2.88 0.00 0.00 179.24 175.47 3g19 h SER 104 N 0.43 0.13 -0.33 2.28 0.87 -1.00 -0.98 113.55 114.95 3g19 h SER 104 Ca 0.18 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 3g19 h SER 104 Cb 0.09 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 3g19 h SER 104 CO -0.13 0.10 -0.01 0.00 -0.53 0.00 0.00 176.83 176.26 3g19 h ALA 105 N 1.10 0.28 -0.67 6.23 0.00 -0.37 -0.31 119.26 125.53 3g19 h ALA 105 Ca 0.08 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3g19 h ALA 105 Cb 0.02 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3g19 h ALA 105 CO -0.06 -0.41 0.12 0.00 0.00 0.00 0.00 179.25 178.90 3g19 h ARG 106 N 0.08 1.10 0.00 0.00 2.47 -0.87 0.16 114.38 117.32 3g19 h ARG 106 Ca 0.16 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.56 3g19 h ARG 106 Cb 0.22 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3g19 h ARG 106 CO -0.28 1.00 -0.13 0.00 0.56 0.00 0.00 179.97 181.13 3g19 h ARG 107 N 1.03 0.00 -0.24 0.04 3.08 -0.67 0.32 114.38 117.94 3g19 h ARG 107 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3g19 h ARG 107 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3g19 h ARG 107 CO 0.01 0.13 0.00 0.72 -1.07 0.00 0.00 179.97 179.76 3g19 n HIS 108 N -3.61 0.30 -3.43 3.04 8.25 -0.17 -4.95 115.22 114.64 3g19 n HIS 108 Ca -0.02 -0.15 -0.22 0.00 -0.26 0.00 0.00 57.72 57.08 3g19 n HIS 108 Cb 0.25 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.43 3g19 n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g19 n GLN 109 N 0.88 -6.91 -4.24 -0.41 1.13 0.10 -5.03 117.38 102.91 3g19 n GLN 109 Ca 0.17 0.76 -0.29 0.00 -1.94 0.00 0.00 57.00 55.70 3g19 n GLN 109 Cb 0.47 -5.55 -0.10 0.00 0.11 0.00 0.00 30.24 25.17 3g19 n GLN 109 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3g19 s HIS 110 N -3.27 2.70 -1.42 1.08 3.76 0.43 -5.00 115.29 113.58 3g19 s HIS 110 Ca 0.50 -0.18 0.06 0.00 -0.15 0.00 0.00 55.06 55.30 3g19 s HIS 110 Cb -0.22 -1.40 0.25 0.00 1.11 0.00 0.00 32.58 32.32 3g19 s HIS 110 CO 0.62 0.44 1.07 -2.30 -0.85 0.00 0.00 174.74 173.72 3g19 n PRO 111 N 0.57 1.94 -1.64 8.40 -0.02 -1.26 -3.89 135.00 139.10 3g19 n PRO 111 Ca -0.13 -0.99 -0.46 0.00 -2.02 0.00 0.00 63.50 59.90 3g19 n PRO 111 Cb 0.53 -1.46 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 3g19 n PRO 111 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3g19 n LEU 112 N 0.23 2.56 -4.60 2.45 7.94 -1.26 -4.99 117.00 119.33 3g19 n LEU 112 Ca 0.09 1.15 -0.33 0.00 -1.11 0.00 0.00 56.01 55.81 3g19 n LEU 112 Cb 0.38 -1.36 -0.11 0.00 0.53 0.00 0.00 43.42 42.87 3g19 n LEU 112 CO 0.08 -0.80 -0.37 -1.10 -1.11 0.00 0.00 177.39 174.09 3g19 s GLN 113 N -0.56 2.66 -0.01 1.96 -1.52 -1.26 -4.86 119.66 116.07 3g19 s GLN 113 Ca 0.68 -0.64 -0.04 0.00 -1.95 0.00 0.00 55.36 53.42 3g19 s GLN 113 Cb -0.71 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 3g19 s GLN 113 CO 0.52 0.63 0.08 0.00 -0.25 0.00 0.00 175.29 176.27 3g19 s THR 115 N -0.76 0.01 0.08 0.00 -1.32 -0.26 -4.97 115.64 108.42 3g19 s THR 115 Ca -0.08 -0.84 0.04 0.00 -1.21 0.00 0.00 61.69 59.60 3g19 s THR 115 Cb -0.05 -1.72 -0.03 0.00 -1.51 0.00 0.00 72.50 69.18 3g19 s THR 115 CO 0.00 -0.05 -0.12 0.00 -2.21 0.00 0.00 174.62 172.24 3g19 s MET 116 N -3.89 0.80 0.17 7.08 0.23 -1.26 0.61 119.30 123.04 3g19 s MET 116 Ca 0.11 -1.02 -0.15 0.00 -1.03 0.00 0.00 55.69 53.60 3g19 s MET 116 Cb -0.02 -0.66 0.02 0.00 -1.53 0.00 0.00 34.83 32.63 3g19 s MET 116 CO 0.01 0.13 0.44 -1.83 -2.03 0.00 0.00 175.02 171.74 3g19 s GLU 117 N -2.14 1.26 0.21 3.16 -1.05 -0.81 -5.00 118.70 114.33 3g19 s GLU 117 Ca 0.00 -0.90 -0.32 0.00 -0.15 0.00 0.00 54.97 53.60 3g19 s GLU 117 Cb -0.07 0.48 -0.13 0.00 -0.44 0.00 0.00 34.13 33.97 3g19 s GLU 117 CO 0.01 -0.51 1.64 1.63 0.95 0.00 0.00 175.26 178.98 3g19 n LYS 118 N -0.28 2.52 0.00 -4.83 5.02 -1.26 -1.03 118.16 118.29 3g19 n LYS 118 Ca -0.11 0.91 0.08 0.00 -2.02 0.00 0.00 58.31 57.17 3g19 n LYS 118 Cb 0.63 -2.70 0.50 0.00 -0.02 0.00 0.00 35.03 33.43 3g19 n LYS 118 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41