#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqt s PRO 7 N 0.00 4.18 0.28 -0.24 0.02 -1.26 -5.00 135.00 132.99 1nqt s PRO 7 Ca 0.00 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 1nqt s PRO 7 Cb 0.00 -3.08 -0.11 0.00 0.02 0.00 0.00 34.50 31.34 1nqt s PRO 7 CO 0.00 -0.59 1.47 0.54 -0.33 0.00 0.00 177.00 178.09 1nqt s ASN 8 N 0.68 6.56 0.00 2.53 6.03 -1.26 -4.68 114.94 124.80 1nqt s ASN 8 Ca 0.65 2.79 0.00 0.00 -1.03 0.00 0.00 52.86 55.27 1nqt s ASN 8 Cb -0.46 -2.63 0.00 0.00 -3.03 0.00 0.00 41.25 35.13 1nqt s ASN 8 CO 0.41 -0.76 0.00 2.22 -2.03 0.00 0.00 177.10 176.95 1nqt n PHE 9 N 1.90 0.00 0.45 1.54 1.16 -1.26 -0.16 117.46 121.09 1nqt n PHE 9 Ca 0.06 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.46 1nqt n PHE 9 Cb 0.40 -0.44 -0.08 0.00 -1.61 0.00 0.00 39.48 37.74 1nqt n PHE 9 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nqt h PHE 10 N 0.00 -1.08 -1.07 2.97 3.57 -1.89 -1.09 116.94 118.36 1nqt h PHE 10 Ca 0.00 -0.03 0.31 0.00 3.53 0.00 0.00 57.97 61.78 1nqt h PHE 10 Cb 0.00 0.36 -0.13 0.00 2.79 0.00 0.00 35.95 38.97 1nqt h PHE 10 CO 0.00 -0.67 0.65 0.87 -2.23 0.00 0.00 178.31 176.93 1nqt h LYS 11 N -1.28 0.35 0.60 1.11 1.79 -0.89 0.47 116.57 118.71 1nqt h LYS 11 Ca -0.12 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.30 1nqt h LYS 11 Cb 0.89 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1nqt h LYS 11 CO 0.20 0.23 -0.29 1.98 -1.08 0.00 0.00 179.45 180.49 1nqt h MET 12 N 0.36 -0.77 -0.18 3.15 4.05 -1.33 0.20 114.93 120.40 1nqt h MET 12 Ca 0.69 0.05 0.04 0.00 -0.28 0.00 0.00 59.70 60.20 1nqt h MET 12 Cb 1.69 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 32.63 1nqt h MET 12 CO -0.46 -0.46 -0.05 0.28 0.23 0.00 0.00 176.91 176.44 1nqt h VAL 13 N -1.02 0.80 -0.01 -5.77 2.07 0.27 0.16 116.25 112.76 1nqt h VAL 13 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1nqt h VAL 13 Cb 0.67 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1nqt h VAL 13 CO 0.13 0.00 -0.33 -0.08 0.02 0.00 0.00 177.57 177.31 1nqt h GLU 14 N -0.01 -0.47 0.00 1.57 4.81 -0.15 -1.16 114.58 119.17 1nqt h GLU 14 Ca 0.09 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1nqt h GLU 14 Cb 0.15 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1nqt h GLU 14 CO -0.19 -0.31 0.00 0.41 -0.73 0.00 0.00 179.01 178.19 1nqt n GLY 15 N -1.42 -3.24 0.12 1.92 0.00 0.68 -1.21 105.19 102.04 1nqt n GLY 15 Ca -0.05 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.53 1nqt n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nqt n PHE 16 N -1.68 0.23 0.00 1.61 0.99 0.49 -0.55 117.46 118.54 1nqt n PHE 16 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 1nqt n PHE 16 Cb 0.00 -0.76 0.00 0.00 -1.00 0.00 0.00 39.48 37.72 1nqt n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1nqt n PHE 17 N -4.29 0.00 -0.22 1.38 7.35 -0.46 -1.63 117.46 119.59 1nqt n PHE 17 Ca 0.08 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.99 1nqt n PHE 17 Cb 0.27 -0.18 0.40 0.00 0.35 0.00 0.00 39.48 40.32 1nqt n PHE 17 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1nqt n ASP 18 N -1.04 0.23 0.00 -2.13 8.00 0.29 0.47 116.55 122.37 1nqt n ASP 18 Ca 0.00 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1nqt n ASP 18 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1nqt n ASP 18 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1nqt n ARG 19 N -4.58 0.00 0.16 -1.24 0.00 -0.34 -2.33 116.66 108.34 1nqt n ARG 19 Ca 0.26 0.36 0.10 0.00 -0.00 0.00 0.00 57.85 58.57 1nqt n ARG 19 Cb 0.88 -1.33 0.52 0.00 0.00 0.00 0.00 32.46 32.53 1nqt n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nqt n GLY 20 N -0.84 -0.79 0.89 5.14 0.00 0.18 -0.74 105.19 109.02 1nqt n GLY 20 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1nqt n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt n ALA 21 N -1.72 2.44 0.00 4.61 0.00 0.10 -2.79 120.51 123.16 1nqt n ALA 21 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1nqt n ALA 21 Cb 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1nqt n ALA 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nqt n SER 22 N 0.93 3.91 0.04 0.00 2.88 0.08 -4.02 113.62 117.44 1nqt n SER 22 Ca 0.17 -0.08 0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1nqt n SER 22 Cb 0.44 0.94 0.12 0.00 -0.75 0.00 0.00 64.21 64.97 1nqt n SER 22 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1nqt n ILE 23 N -1.34 0.23 -0.13 2.46 5.41 -0.94 -4.29 119.36 120.76 1nqt n ILE 23 Ca 0.00 -0.22 -0.24 0.00 1.00 0.00 0.00 62.75 63.29 1nqt n ILE 23 Cb 0.00 0.07 -0.11 0.00 -0.71 0.00 0.00 39.64 38.89 1nqt n ILE 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1nqt n VAL 24 N -1.95 1.51 0.00 1.39 0.24 -1.12 -4.64 118.33 113.76 1nqt n VAL 24 Ca 0.03 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1nqt n VAL 24 Cb 0.42 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.14 1nqt n VAL 24 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1nqt n GLU 25 N -3.76 0.00 -0.08 7.34 2.13 -1.26 -0.84 120.64 124.18 1nqt n GLU 25 Ca -0.50 0.17 -0.10 0.00 0.66 0.00 0.00 57.16 57.38 1nqt n GLU 25 Cb 0.94 -0.26 -0.07 0.00 0.27 0.00 0.00 31.44 32.32 1nqt n GLU 25 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nqt h ASP 26 N 0.00 -1.33 0.00 4.31 3.32 -1.83 -0.08 116.42 120.81 1nqt h ASP 26 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1nqt h ASP 26 Cb 0.00 0.54 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1nqt h ASP 26 CO 0.00 -0.30 0.00 0.29 -1.72 0.00 0.00 179.24 177.51 1nqt n LYS 27 N -4.63 0.98 0.00 3.56 5.02 -0.57 -1.88 118.16 120.64 1nqt n LYS 27 Ca -0.03 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.31 1nqt n LYS 27 Cb 0.25 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1nqt n LYS 27 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1nqt n LEU 28 N -0.01 1.51 0.01 -0.35 7.94 -0.02 -4.53 117.00 121.55 1nqt n LEU 28 Ca 0.00 -0.89 -0.00 0.00 -1.11 0.00 0.00 56.01 54.00 1nqt n LEU 28 Cb 0.23 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.18 1nqt n LEU 28 CO 0.00 0.30 -0.04 0.52 -1.11 0.00 0.00 177.39 177.06 1nqt n VAL 29 N 0.17 0.41 0.00 1.96 0.31 -0.79 -4.70 118.33 115.69 1nqt n VAL 29 Ca 0.05 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1nqt n VAL 29 Cb 0.22 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1nqt n VAL 29 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1nqt n GLU 30 N -2.87 0.00 0.00 5.55 0.28 -1.09 -1.71 120.64 120.80 1nqt n GLU 30 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1nqt n GLU 30 Cb 0.03 -0.26 0.00 0.00 1.43 0.00 0.00 31.44 32.63 1nqt n GLU 30 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nqt n ASP 31 N 0.00 2.15 -0.40 -1.84 8.00 -1.26 -0.27 116.55 122.93 1nqt n ASP 31 Ca 0.00 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1nqt n ASP 31 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1nqt n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nqt n LEU 32 N 0.47 0.00 0.00 0.64 4.77 -1.21 -4.93 117.00 116.74 1nqt n LEU 32 Ca 0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1nqt n LEU 32 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1nqt n LEU 32 CO 0.00 0.26 0.00 -2.11 -1.33 0.00 0.00 177.39 174.21 1nqt n ARG 33 N 0.00 0.00 -3.09 3.23 1.85 -0.70 -4.80 116.66 113.16 1nqt n ARG 33 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.41 1nqt n ARG 33 Cb 0.65 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.06 1nqt n ARG 33 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1nqt n THR 34 N 0.00 4.92 -0.25 8.89 -1.04 0.63 -3.90 114.28 123.54 1nqt n THR 34 Ca 0.00 -5.55 0.00 0.00 -2.04 0.00 0.00 64.05 56.46 1nqt n THR 34 Cb 0.00 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.19 1nqt n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1nqt n ARG 35 N 2.27 1.50 -2.73 -2.82 1.74 -1.26 -4.85 116.66 110.50 1nqt n ARG 35 Ca 0.27 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.30 1nqt n ARG 35 Cb 0.36 -0.12 0.06 0.00 -1.02 0.00 0.00 32.46 31.74 1nqt n ARG 35 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nqt n GLU 36 N 0.00 1.39 -2.09 5.56 -0.00 -1.25 -5.13 120.64 119.13 1nqt n GLU 36 Ca 0.00 -2.91 -0.41 0.00 -0.00 0.00 0.00 57.16 53.85 1nqt n GLU 36 Cb 0.00 -1.01 -0.02 0.00 -0.00 0.00 0.00 31.44 30.41 1nqt n GLU 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1nqt s SER 37 N -2.88 6.74 -0.50 -1.84 1.04 -1.26 -5.01 113.70 110.00 1nqt s SER 37 Ca 0.24 2.66 0.03 0.00 0.48 0.00 0.00 55.95 59.36 1nqt s SER 37 Cb 0.40 -2.64 0.15 0.00 0.10 0.00 0.00 66.02 64.03 1nqt s SER 37 CO -0.03 -0.59 0.32 -1.61 0.98 0.00 0.00 173.24 172.31 1nqt s GLU 38 N -1.14 1.48 -0.88 4.02 2.02 -1.26 -4.84 118.70 118.10 1nqt s GLU 38 Ca 0.53 -2.34 0.00 0.00 0.02 0.00 0.00 54.97 53.18 1nqt s GLU 38 Cb -0.40 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1nqt s GLU 38 CO 0.48 -1.24 0.00 0.39 0.02 0.00 0.00 175.26 174.92 1nqt n GLU 39 N 3.03 -0.58 -1.01 1.61 1.02 -1.26 -3.56 120.64 119.88 1nqt n GLU 39 Ca 0.16 0.78 -0.06 0.00 -0.02 0.00 0.00 57.16 58.01 1nqt n GLU 39 Cb 0.37 -4.64 -0.03 0.00 -0.02 0.00 0.00 31.44 27.13 1nqt n GLU 39 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1nqt n GLN 40 N -2.73 -1.42 -0.21 3.49 -0.06 -1.26 -4.62 117.38 110.56 1nqt n GLN 40 Ca -0.08 0.42 0.03 0.00 -2.00 0.00 0.00 57.00 55.37 1nqt n GLN 40 Cb 0.28 -4.35 0.12 0.00 -4.06 0.00 0.00 30.24 22.24 1nqt n GLN 40 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1nqt n LYS 41 N -1.01 1.94 0.17 3.69 5.02 -1.23 -3.09 118.16 123.65 1nqt n LYS 41 Ca -0.06 -0.99 0.07 0.00 -2.02 0.00 0.00 58.31 55.31 1nqt n LYS 41 Cb 0.26 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 33.89 1nqt n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqt h ARG 42 N 1.43 0.00 0.00 1.97 2.47 -1.82 -2.60 114.38 115.83 1nqt h ARG 42 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1nqt h ARG 42 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1nqt h ARG 42 CO 0.08 0.23 0.00 -1.71 0.56 0.00 0.00 179.97 179.13 1nqt n ASN 43 N -3.11 0.00 -1.05 7.04 5.15 -1.18 -0.98 115.26 121.13 1nqt n ASN 43 Ca 0.02 -0.79 0.03 0.00 -0.60 0.00 0.00 54.58 53.24 1nqt n ASN 43 Cb 0.64 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 40.12 1nqt n ASN 43 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nqt n ARG 44 N -0.99 2.53 -0.12 1.20 1.74 -0.98 -3.91 116.66 116.13 1nqt n ARG 44 Ca 0.18 -2.97 0.04 0.00 -0.77 0.00 0.00 57.85 54.33 1nqt n ARG 44 Cb 0.08 -1.86 0.10 0.00 -1.02 0.00 0.00 32.46 29.77 1nqt n ARG 44 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1nqt n VAL 45 N -0.75 1.04 0.48 1.55 3.14 -0.15 -4.31 118.33 119.33 1nqt n VAL 45 Ca 0.27 -1.03 -0.04 0.00 -2.96 0.00 0.00 64.34 60.59 1nqt n VAL 45 Cb 0.98 0.48 0.06 0.00 -1.06 0.00 0.00 33.84 34.30 1nqt n VAL 45 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1nqt n ARG 46 N 0.09 1.50 0.03 1.45 -4.01 -1.25 -2.29 116.66 112.19 1nqt n ARG 46 Ca 0.08 -0.74 0.11 0.00 -1.04 0.00 0.00 57.85 56.25 1nqt n ARG 46 Cb 0.37 -1.41 -0.10 0.00 -3.04 0.00 0.00 32.46 28.28 1nqt n ARG 46 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1nqt n GLY 47 N 0.12 -1.19 0.09 2.89 0.00 -1.26 -3.71 105.19 102.14 1nqt n GLY 47 Ca 0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1nqt n GLY 47 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nqt h ILE 48 N 0.00 0.96 -0.39 -0.61 2.04 -1.81 0.10 117.51 117.80 1nqt h ILE 48 Ca -0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1nqt h ILE 48 Cb 1.04 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1nqt h ILE 48 CO 0.00 0.02 0.25 -0.07 0.00 0.00 0.00 178.15 178.35 1nqt h LEU 49 N 0.13 0.45 -0.01 1.44 -0.00 -1.78 0.06 115.31 115.59 1nqt h LEU 49 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1nqt h LEU 49 Cb 0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1nqt h LEU 49 CO -0.08 0.34 0.00 -2.11 -0.00 0.00 0.00 178.44 176.59 1nqt n ARG 50 N -4.47 0.00 -0.03 1.13 1.85 0.26 -1.94 116.66 113.47 1nqt n ARG 50 Ca 0.03 0.18 -0.14 0.00 -1.00 0.00 0.00 57.85 56.92 1nqt n ARG 50 Cb 0.07 -1.51 -0.14 0.00 -1.05 0.00 0.00 32.46 29.83 1nqt n ARG 50 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1nqt n ILE 51 N -1.52 1.65 -0.02 8.89 5.41 -0.08 -4.31 119.36 129.38 1nqt n ILE 51 Ca 0.04 -0.73 -0.13 0.00 1.00 0.00 0.00 62.75 62.93 1nqt n ILE 51 Cb 0.22 -1.29 -0.10 0.00 -0.71 0.00 0.00 39.64 37.76 1nqt n ILE 51 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1nqt h ILE 52 N 0.03 1.45 -0.63 1.39 2.04 -1.12 -3.37 117.51 117.30 1nqt h ILE 52 Ca -0.39 -1.34 0.06 0.00 1.00 0.00 0.00 64.86 64.19 1nqt h ILE 52 Cb 2.04 2.36 -0.08 0.00 -0.74 0.00 0.00 36.82 40.40 1nqt h ILE 52 CO 0.07 0.35 -0.37 1.17 0.00 0.00 0.00 178.15 179.36 1nqt n LYS 53 N -4.82 -0.28 -2.72 2.37 4.81 -0.82 -4.63 118.16 112.08 1nqt n LYS 53 Ca -0.09 1.08 -0.34 0.00 -0.87 0.00 0.00 58.31 58.10 1nqt n LYS 53 Cb 0.29 -1.59 -0.06 0.00 0.02 0.00 0.00 35.03 33.68 1nqt n LYS 53 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1nqt s PRO 54 N -4.96 4.15 0.24 1.64 0.04 -1.26 -4.99 135.00 129.86 1nqt s PRO 54 Ca -0.08 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1nqt s PRO 54 Cb 0.07 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1nqt s PRO 54 CO 0.39 -0.11 1.22 0.00 0.04 0.00 0.00 177.00 178.54 1nqt h ASN 56 N 4.51 0.77 -4.03 0.00 2.35 -1.48 -3.46 115.58 114.23 1nqt h ASN 56 Ca -0.46 -0.75 -0.35 0.00 -0.55 0.00 0.00 56.30 54.19 1nqt h ASN 56 Cb 1.22 -0.25 -0.28 0.00 0.05 0.00 0.00 38.32 39.06 1nqt h ASN 56 CO 0.71 1.57 -0.76 -1.00 -1.65 0.00 0.00 177.43 176.29 1nqt s HIS 57 N -2.85 0.64 -0.16 1.19 3.76 -1.07 -5.06 115.29 111.74 1nqt s HIS 57 Ca -0.08 -0.15 -0.05 0.00 -0.15 0.00 0.00 55.06 54.63 1nqt s HIS 57 Cb 0.06 -0.41 0.08 0.00 1.11 0.00 0.00 32.58 33.41 1nqt s HIS 57 CO 0.92 -0.01 0.27 0.54 -0.85 0.00 0.00 174.74 175.61 1nqt s VAL 58 N -0.27 -0.43 -0.17 -0.90 0.11 -1.26 -1.01 120.40 116.47 1nqt s VAL 58 Ca 0.02 0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 59.15 1nqt s VAL 58 Cb -0.03 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1nqt s VAL 58 CO -0.00 0.03 0.13 -0.22 -3.33 0.00 0.00 175.10 171.71 1nqt s LEU 59 N 2.42 4.26 -0.04 2.54 0.20 -0.32 -4.98 118.68 122.76 1nqt s LEU 59 Ca 0.03 0.31 0.06 0.00 0.69 0.00 0.00 54.13 55.22 1nqt s LEU 59 Cb -0.13 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.54 1nqt s LEU 59 CO -0.10 0.26 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.56 1nqt s SER 60 N -0.11 2.62 0.24 3.68 0.01 -1.26 -1.23 113.70 117.65 1nqt s SER 60 Ca 0.10 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1nqt s SER 60 Cb -0.11 -0.54 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 1nqt s SER 60 CO 0.00 0.23 0.03 -0.76 0.41 0.00 0.00 173.24 173.15 1nqt s LEU 61 N -0.26 2.02 -0.07 2.44 1.43 0.71 -5.00 118.68 119.95 1nqt s LEU 61 Ca 0.02 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 51.81 1nqt s LEU 61 Cb -0.11 -0.16 0.04 0.00 0.03 0.00 0.00 46.19 45.99 1nqt s LEU 61 CO 0.01 -0.59 0.09 -0.94 0.23 0.00 0.00 176.35 175.14 1nqt s SER 62 N -3.30 1.29 0.02 2.29 1.04 -1.26 -2.13 113.70 111.65 1nqt s SER 62 Ca 0.31 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1nqt s SER 62 Cb 0.07 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1nqt s SER 62 CO 0.10 -0.27 -0.03 0.72 0.98 0.00 0.00 173.24 174.74 1nqt s PHE 63 N 2.19 0.27 0.77 5.02 -0.12 0.08 -4.93 117.98 121.26 1nqt s PHE 63 Ca 0.04 -0.34 -0.09 0.00 -0.05 0.00 0.00 56.93 56.49 1nqt s PHE 63 Cb -0.13 -0.18 0.09 0.00 -0.63 0.00 0.00 43.02 42.18 1nqt s PHE 63 CO -0.05 -0.11 1.10 -1.25 -0.05 0.00 0.00 175.22 174.87 1nqt s PRO 64 N -0.97 1.83 -0.13 1.99 0.04 -1.26 0.15 135.00 136.66 1nqt s PRO 64 Ca -0.09 -0.26 -0.30 0.00 0.04 0.00 0.00 61.00 60.39 1nqt s PRO 64 Cb -0.07 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1nqt s PRO 64 CO -0.00 -1.54 0.85 0.96 0.04 0.00 0.00 177.00 177.31 1nqt s ILE 65 N -3.43 0.00 -0.55 0.56 -4.36 -0.99 -4.85 121.20 107.58 1nqt s ILE 65 Ca 0.63 0.00 -0.10 0.00 -0.26 0.00 0.00 60.65 60.92 1nqt s ILE 65 Cb -0.09 -1.00 0.14 0.00 1.25 0.00 0.00 42.46 42.76 1nqt s ILE 65 CO 0.47 0.00 0.44 -0.60 0.24 0.00 0.00 174.94 175.49 1nqt s ARG 66 N -0.97 2.71 0.54 0.37 3.52 -1.26 -2.20 118.95 121.66 1nqt s ARG 66 Ca -0.05 -1.94 -0.19 0.00 -0.13 0.00 0.00 55.73 53.42 1nqt s ARG 66 Cb -0.01 -4.03 -0.08 0.00 -1.56 0.00 0.00 34.95 29.27 1nqt s ARG 66 CO 0.05 -1.23 0.67 0.54 -0.81 0.00 0.00 175.30 174.52 1nqt n ARG 67 N 4.67 0.69 -0.33 5.12 1.74 -0.59 -4.73 116.66 123.23 1nqt n ARG 67 Ca -0.04 0.26 0.31 0.00 -0.77 0.00 0.00 57.85 57.61 1nqt n ARG 67 Cb 0.41 -1.81 0.57 0.00 -1.02 0.00 0.00 32.46 30.61 1nqt n ARG 67 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1nqt h ASP 68 N 0.50 0.35 0.18 0.55 3.32 -1.97 0.52 116.42 119.86 1nqt h ASP 68 Ca -0.45 0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1nqt h ASP 68 Cb 1.39 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1nqt h ASP 68 CO 0.49 -0.38 0.00 -0.90 -1.72 0.00 0.00 179.24 176.73 1nqt n ASP 69 N -5.20 0.00 0.00 6.45 5.68 -1.26 -4.84 116.55 117.37 1nqt n ASP 69 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 1nqt n ASP 69 Cb 1.25 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 41.00 1nqt n ASP 69 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nqt n GLY 70 N -0.24 0.75 3.82 6.12 0.00 0.18 -5.07 105.19 110.74 1nqt n GLY 70 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1nqt n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqt s SER 71 N -1.80 6.99 0.02 1.61 1.04 -1.25 -4.81 113.70 115.51 1nqt s SER 71 Ca 0.00 1.62 -0.16 0.00 0.48 0.00 0.00 55.95 57.90 1nqt s SER 71 Cb 0.00 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.55 1nqt s SER 71 CO 0.00 -0.26 0.45 0.26 0.98 0.00 0.00 173.24 174.68 1nqt s TRP 72 N -2.01 3.75 -0.10 5.02 0.51 -1.26 -1.54 118.94 123.30 1nqt s TRP 72 Ca 0.57 1.07 -0.07 0.00 -2.12 0.00 0.00 56.10 55.56 1nqt s TRP 72 Cb -0.11 -2.34 0.04 0.00 -0.81 0.00 0.00 33.47 30.24 1nqt s TRP 72 CO 0.16 0.63 0.25 -2.00 -0.51 0.00 0.00 176.95 175.48 1nqt s GLU 73 N -1.12 0.24 -0.25 4.98 2.12 -0.94 -4.97 118.70 118.77 1nqt s GLU 73 Ca 0.26 0.46 -0.14 0.00 0.36 0.00 0.00 54.97 55.91 1nqt s GLU 73 Cb -0.17 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.15 1nqt s GLU 73 CO 0.15 -0.11 0.33 0.14 -0.54 0.00 0.00 175.26 175.22 1nqt s VAL 74 N 0.84 5.23 -0.04 3.70 -7.23 -1.26 -2.34 120.40 119.30 1nqt s VAL 74 Ca -0.06 0.50 -0.14 0.00 -1.81 0.00 0.00 61.98 60.47 1nqt s VAL 74 Cb -0.07 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 1nqt s VAL 74 CO -0.05 0.22 0.37 -0.63 -0.31 0.00 0.00 175.10 174.70 1nqt s ILE 75 N 1.67 5.12 -0.04 -0.62 1.01 0.12 -4.84 121.20 123.62 1nqt s ILE 75 Ca 0.14 0.75 0.05 0.00 0.00 0.00 0.00 60.65 61.60 1nqt s ILE 75 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1nqt s ILE 75 CO 0.09 0.55 -0.19 -1.83 0.00 0.00 0.00 174.94 173.55 1nqt s GLU 76 N -0.80 2.34 0.35 2.79 -1.05 -1.26 -0.74 118.70 120.32 1nqt s GLU 76 Ca 0.22 -0.79 -0.14 0.00 -0.15 0.00 0.00 54.97 54.10 1nqt s GLU 76 Cb -0.16 -2.24 0.04 0.00 -0.44 0.00 0.00 34.13 31.33 1nqt s GLU 76 CO 0.11 0.60 0.71 0.20 0.95 0.00 0.00 175.26 177.83 1nqt s GLY 77 N -0.70 0.46 0.12 -3.83 0.00 -0.90 -0.97 107.32 101.50 1nqt s GLY 77 Ca 0.11 -0.79 -0.18 0.00 0.00 0.00 0.00 44.72 43.85 1nqt s GLY 77 CO -0.00 -0.39 0.45 -0.19 0.00 0.00 0.00 173.10 172.97 1nqt s TYR 78 N -2.82 -0.30 -0.09 1.90 1.51 0.15 -0.21 117.35 117.49 1nqt s TYR 78 Ca 0.17 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.26 1nqt s TYR 78 Cb -0.04 0.32 0.05 0.00 -0.11 0.00 0.00 41.96 42.18 1nqt s TYR 78 CO 0.12 -0.72 0.18 0.50 -1.11 0.00 0.00 175.55 174.52 1nqt s ARG 79 N -3.56 0.07 -0.16 -0.62 6.06 -0.37 0.88 118.95 121.26 1nqt s ARG 79 Ca 0.01 0.54 0.01 0.00 -2.50 0.00 0.00 55.73 53.80 1nqt s ARG 79 Cb 0.01 -0.21 0.01 0.00 0.06 0.00 0.00 34.95 34.82 1nqt s ARG 79 CO -0.10 -0.26 -0.20 0.00 -2.50 0.00 0.00 175.30 172.23 1nqt s ALA 80 N 1.99 2.33 -0.35 6.12 0.00 0.20 -1.17 121.76 130.87 1nqt s ALA 80 Ca -0.01 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.65 1nqt s ALA 80 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1nqt s ALA 80 CO -0.06 -0.19 0.35 -0.65 0.00 0.00 0.00 175.76 175.21 1nqt s GLN 81 N 1.05 3.50 0.14 0.00 -0.21 -0.18 -1.62 119.66 122.34 1nqt s GLN 81 Ca -0.01 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 1nqt s GLN 81 Cb -0.14 -3.82 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 1nqt s GLN 81 CO -0.07 -0.54 1.35 1.25 -2.12 0.00 0.00 175.29 175.16 1nqt h HIS 82 N 8.49 0.66 -2.49 0.91 -0.00 0.75 -2.79 115.15 120.67 1nqt h HIS 82 Ca -0.30 -0.32 -0.09 0.00 -0.00 0.00 0.00 60.37 59.66 1nqt h HIS 82 Cb 1.14 -0.09 -0.22 0.00 -0.00 0.00 0.00 27.41 28.24 1nqt h HIS 82 CO 0.68 1.12 -0.10 0.45 -0.00 0.00 0.00 177.93 180.08 1nqt s SER 83 N -7.05 -0.52 -0.22 3.26 0.15 -1.22 -3.20 113.70 104.91 1nqt s SER 83 Ca -0.06 0.92 0.11 0.00 0.70 0.00 0.00 55.95 57.62 1nqt s SER 83 Cb 0.09 0.94 0.42 0.00 -1.71 0.00 0.00 66.02 65.76 1nqt s SER 83 CO 0.86 -0.25 1.26 1.41 1.20 0.00 0.00 173.24 177.72 1nqt n HIS 84 N 2.47 0.19 0.22 3.44 -0.00 -1.26 -4.05 115.22 116.23 1nqt n HIS 84 Ca -0.15 -1.47 0.07 0.00 -0.00 0.00 0.00 57.72 56.18 1nqt n HIS 84 Cb 0.56 -0.28 0.52 0.00 -0.00 0.00 0.00 29.99 30.79 1nqt n HIS 84 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.34 175.78 1nqt h GLN 85 N 0.93 0.00 -4.77 -0.41 -0.00 -1.95 -3.33 115.11 105.57 1nqt h GLN 85 Ca 0.04 0.00 -0.67 0.00 -0.00 0.00 0.00 58.65 58.02 1nqt h GLN 85 Cb 1.12 0.00 -0.37 0.00 -0.00 0.00 0.00 27.48 28.23 1nqt h GLN 85 CO 0.07 0.24 -0.74 0.50 -0.00 0.00 0.00 178.83 178.90 1nqt s ARG 86 N -4.16 2.03 0.00 0.06 6.06 -1.26 -4.99 118.95 116.69 1nqt s ARG 86 Ca -0.02 -1.53 0.00 0.00 -2.50 0.00 0.00 55.73 51.68 1nqt s ARG 86 Cb 0.13 -3.09 0.00 0.00 0.06 0.00 0.00 34.95 32.05 1nqt s ARG 86 CO 0.66 -0.73 0.00 0.25 -2.50 0.00 0.00 175.30 172.98 1nqt n THR 87 N 4.43 0.00 -1.91 4.11 -2.24 -1.25 -2.84 114.28 114.57 1nqt n THR 87 Ca -0.08 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1nqt n THR 87 Cb 0.42 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1nqt n THR 87 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1nqt s PRO 88 N -0.26 2.92 0.21 -0.78 0.04 -1.21 -4.75 135.00 131.17 1nqt s PRO 88 Ca 0.00 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1nqt s PRO 88 Cb 0.00 -4.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.12 1nqt s PRO 88 CO 0.00 -2.35 1.40 0.00 0.04 0.00 0.00 177.00 176.08 1nqt s LYS 90 N 0.02 2.27 0.00 0.00 2.47 0.68 -0.00 119.74 125.17 1nqt s LYS 90 Ca 0.60 -1.18 0.00 0.00 -1.56 0.00 0.00 55.97 53.82 1nqt s LYS 90 Cb -0.39 -2.27 0.00 0.00 -1.46 0.00 0.00 37.83 33.70 1nqt s LYS 90 CO 0.39 0.44 0.00 0.41 0.16 0.00 0.00 175.35 176.75 1nqt n GLY 91 N -0.10 4.07 3.71 5.54 0.00 -1.03 -0.81 105.19 116.57 1nqt n GLY 91 Ca -0.10 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1nqt n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqt s GLY 92 N 0.00 1.56 -0.09 -0.02 0.00 -1.25 -2.58 107.32 104.94 1nqt s GLY 92 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.31 1nqt s GLY 92 CO 0.00 0.17 -0.19 -0.42 0.00 0.00 0.00 173.10 172.66 1nqt s ILE 93 N -3.07 2.58 -0.11 0.90 1.01 0.22 -1.04 121.20 121.70 1nqt s ILE 93 Ca 0.65 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1nqt s ILE 93 Cb -0.17 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1nqt s ILE 93 CO 0.56 0.55 -0.15 -0.60 0.00 0.00 0.00 174.94 175.30 1nqt s ARG 94 N 0.07 2.21 -0.45 2.79 3.52 -0.00 -3.29 118.95 123.79 1nqt s ARG 94 Ca -0.08 -0.56 -0.14 0.00 -0.13 0.00 0.00 55.73 54.82 1nqt s ARG 94 Cb -0.15 -1.88 0.07 0.00 -1.56 0.00 0.00 34.95 31.43 1nqt s ARG 94 CO 0.05 -0.06 0.36 0.71 -0.81 0.00 0.00 175.30 175.55 1nqt s TYR 95 N 0.97 3.26 -0.18 5.12 4.12 -1.26 -0.59 117.35 128.79 1nqt s TYR 95 Ca -0.07 -1.03 -0.28 0.00 0.02 0.00 0.00 57.07 55.71 1nqt s TYR 95 Cb -0.15 -3.06 0.11 0.00 -1.52 0.00 0.00 41.96 37.34 1nqt s TYR 95 CO -0.01 -0.79 0.91 0.45 0.02 0.00 0.00 175.55 176.13 1nqt s SER 96 N 2.41 -0.49 0.00 2.29 0.15 -0.19 -4.68 113.70 113.18 1nqt s SER 96 Ca 0.04 0.72 0.11 0.00 0.70 0.00 0.00 55.95 57.52 1nqt s SER 96 Cb -0.23 0.64 0.58 0.00 -1.71 0.00 0.00 66.02 65.29 1nqt s SER 96 CO 0.06 -0.33 1.27 0.35 1.20 0.00 0.00 173.24 175.78 1nqt n THR 97 N 1.40 0.72 -0.62 6.45 -2.24 -1.14 -2.53 114.28 116.32 1nqt n THR 97 Ca -0.13 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 61.91 1nqt n THR 97 Cb 0.57 -0.99 0.27 0.00 -2.10 0.00 0.00 70.33 68.07 1nqt n THR 97 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nqt n ASP 98 N -1.29 3.96 -4.82 3.42 10.43 -1.26 -4.89 116.55 122.11 1nqt n ASP 98 Ca 0.05 -2.51 -0.33 0.00 2.57 0.00 0.00 54.79 54.57 1nqt n ASP 98 Cb 0.09 -0.47 -0.02 0.00 1.84 0.00 0.00 41.12 42.56 1nqt n ASP 98 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1nqt s VAL 99 N -1.94 4.11 -0.05 2.53 -7.23 -1.05 -5.03 120.40 111.74 1nqt s VAL 99 Ca 0.40 1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 61.60 1nqt s VAL 99 Cb 0.27 -3.53 0.01 0.00 0.56 0.00 0.00 36.38 33.69 1nqt s VAL 99 CO 0.17 -0.49 0.19 -0.94 -0.31 0.00 0.00 175.10 173.72 1nqt s SER 100 N -2.64 -0.14 0.29 4.85 1.04 -1.26 -4.94 113.70 110.89 1nqt s SER 100 Ca 0.63 0.20 0.03 0.00 0.48 0.00 0.00 55.95 57.29 1nqt s SER 100 Cb -0.13 0.34 0.70 0.00 0.10 0.00 0.00 66.02 67.03 1nqt s SER 100 CO 0.29 -0.19 1.71 0.58 0.98 0.00 0.00 173.24 176.61 1nqt h VAL 101 N 4.59 0.53 -0.29 5.02 2.07 -1.98 0.71 116.25 126.89 1nqt h VAL 101 Ca -0.27 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1nqt h VAL 101 Cb 1.19 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1nqt h VAL 101 CO 0.39 0.08 -0.17 0.44 0.02 0.00 0.00 177.57 178.33 1nqt h ASP 102 N 0.45 0.52 -0.13 0.57 5.19 -1.98 -1.99 116.42 119.05 1nqt h ASP 102 Ca 0.55 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.79 1nqt h ASP 102 Cb 0.99 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1nqt h ASP 102 CO -0.49 0.71 0.03 -0.08 -3.12 0.00 0.00 179.24 176.28 1nqt h GLU 103 N 0.48 0.20 -0.31 3.56 4.81 -0.00 -1.47 114.58 121.85 1nqt h GLU 103 Ca 0.08 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1nqt h GLU 103 Cb 0.58 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1nqt h GLU 103 CO 0.04 0.38 0.00 -0.39 -0.73 0.00 0.00 179.01 178.31 1nqt h VAL 104 N -0.01 1.26 -0.10 0.32 -1.51 -1.21 -0.35 116.25 114.64 1nqt h VAL 104 Ca 0.04 -0.94 0.03 0.00 -1.23 0.00 0.00 66.70 64.60 1nqt h VAL 104 Cb 0.27 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1nqt h VAL 104 CO 0.00 0.30 0.15 0.11 -1.23 0.00 0.00 177.57 176.90 1nqt h LYS 105 N 0.34 0.00 0.07 5.19 1.57 -1.28 0.93 116.57 123.39 1nqt h LYS 105 Ca 0.09 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.57 1nqt h LYS 105 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1nqt h LYS 105 CO 0.02 0.00 -1.57 0.00 -0.57 0.00 0.00 179.45 177.32 1nqt h ALA 106 N 1.80 0.46 0.00 3.86 0.00 -0.29 -2.97 119.26 122.12 1nqt h ALA 106 Ca 0.05 -1.23 -0.13 0.00 0.00 0.00 0.00 54.91 53.59 1nqt h ALA 106 Cb 0.34 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1nqt h ALA 106 CO -0.00 1.32 -0.87 -0.07 0.00 0.00 0.00 179.25 179.63 1nqt h LEU 107 N 0.04 0.00 0.27 0.00 3.38 0.50 -2.51 115.31 116.99 1nqt h LEU 107 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1nqt h LEU 107 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1nqt h LEU 107 CO 0.12 0.56 -0.14 0.00 0.09 0.00 0.00 178.44 179.07 1nqt h ALA 108 N 1.44 -1.08 -0.47 1.53 0.00 0.71 -1.37 119.26 120.03 1nqt h ALA 108 Ca -0.06 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1nqt h ALA 108 Cb 1.48 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 1nqt h ALA 108 CO 0.06 -1.05 -0.27 0.45 0.00 0.00 0.00 179.25 178.43 1nqt n SER 109 N -3.04 -0.49 -0.31 0.00 2.88 -1.12 0.13 113.62 111.67 1nqt n SER 109 Ca -0.05 0.96 0.17 0.00 -1.33 0.00 0.00 58.87 58.63 1nqt n SER 109 Cb 0.15 -0.18 0.36 0.00 -0.75 0.00 0.00 64.21 63.79 1nqt n SER 109 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1nqt h LEU 110 N 0.00 0.26 -0.22 2.46 5.85 -1.09 -0.52 115.31 122.05 1nqt h LEU 110 Ca 0.07 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1nqt h LEU 110 Cb 0.19 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1nqt h LEU 110 CO -0.44 -0.11 0.12 0.24 -0.34 0.00 0.00 178.44 177.91 1nqt h MET 111 N 0.30 0.30 -0.77 1.25 2.86 0.22 -0.83 114.93 118.26 1nqt h MET 111 Ca 0.62 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 58.36 1nqt h MET 111 Cb 1.29 -0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.76 1nqt h MET 111 CO -0.61 0.28 -0.33 1.15 1.06 0.00 0.00 176.91 178.46 1nqt h THR 112 N 0.25 0.12 -0.21 2.22 2.02 -0.82 0.30 112.91 116.79 1nqt h THR 112 Ca 0.08 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.05 1nqt h THR 112 Cb 0.06 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1nqt h THR 112 CO -0.01 0.00 -0.68 1.88 0.37 0.00 0.00 175.52 177.08 1nqt h TYR 113 N -0.08 1.08 -0.65 3.16 0.05 -1.48 -2.79 116.97 116.26 1nqt h TYR 113 Ca 0.30 -0.44 0.06 0.00 0.05 0.00 0.00 58.73 58.70 1nqt h TYR 113 Cb 0.58 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 1nqt h TYR 113 CO -0.72 1.27 0.36 -0.22 -1.05 0.00 0.00 178.16 177.81 1nqt h LYS 114 N 0.58 0.65 -0.11 4.88 3.64 0.35 -1.40 116.57 125.16 1nqt h LYS 114 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1nqt h LYS 114 Cb 1.30 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1nqt h LYS 114 CO 0.14 0.43 0.07 0.00 -2.27 0.00 0.00 179.45 177.82 1nqt h ALA 116 N 1.04 0.74 -0.43 0.00 0.00 -1.13 -1.13 119.26 118.35 1nqt h ALA 116 Ca 0.04 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1nqt h ALA 116 Cb -0.01 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1nqt h ALA 116 CO -0.01 -0.25 -0.24 0.28 0.00 0.00 0.00 179.25 179.03 1nqt h VAL 117 N 0.33 0.34 -0.61 0.00 2.07 -0.87 -1.52 116.25 115.99 1nqt h VAL 117 Ca 0.31 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.50 1nqt h VAL 117 Cb 0.42 0.34 -0.19 0.00 -1.52 0.00 0.00 31.29 30.34 1nqt h VAL 117 CO -0.35 0.00 0.41 1.33 0.02 0.00 0.00 177.57 178.99 1nqt n VAL 118 N -5.40 2.40 -3.95 2.57 0.24 -0.71 -4.74 118.33 108.74 1nqt n VAL 118 Ca 0.03 -1.24 -0.28 0.00 -2.04 0.00 0.00 64.34 60.80 1nqt n VAL 118 Cb 0.31 -0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 31.89 1nqt n VAL 118 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nqt n ASP 119 N -0.45 -0.40 -4.37 -1.34 8.00 -0.57 -4.91 116.55 112.50 1nqt n ASP 119 Ca 0.37 -1.01 -0.36 0.00 0.71 0.00 0.00 54.79 54.49 1nqt n ASP 119 Cb 1.16 -1.24 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 1nqt n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nqt s VAL 120 N -4.02 3.85 -1.33 2.53 1.01 -0.51 -5.02 120.40 116.91 1nqt s VAL 120 Ca 0.11 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1nqt s VAL 120 Cb -0.06 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1nqt s VAL 120 CO 0.78 0.33 2.13 -0.81 0.00 0.00 0.00 175.10 177.53 1nqt n PRO 121 N 4.86 2.65 -3.88 2.72 -0.04 -1.26 -4.31 135.00 135.75 1nqt n PRO 121 Ca -0.17 -2.55 -0.11 0.00 -0.04 0.00 0.00 63.50 60.63 1nqt n PRO 121 Cb 0.51 -3.26 -0.10 0.00 -0.04 0.00 0.00 33.50 30.60 1nqt n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nqt s PHE 122 N 3.75 0.05 0.11 0.54 2.99 -1.26 -4.67 117.98 119.49 1nqt s PHE 122 Ca 0.50 -0.15 -0.05 0.00 0.00 0.00 0.00 56.93 57.23 1nqt s PHE 122 Cb 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 43.02 43.04 1nqt s PHE 122 CO -0.04 -0.28 0.34 0.20 -0.00 0.00 0.00 175.22 175.44 1nqt s GLY 123 N -1.40 2.24 0.20 4.36 0.00 -1.13 -4.79 107.32 106.80 1nqt s GLY 123 Ca -0.15 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 1nqt s GLY 123 CO 0.01 -0.49 1.38 -0.32 0.00 0.00 0.00 173.10 173.68 1nqt s GLY 124 N -2.31 2.27 0.15 0.20 0.00 -1.26 -0.23 107.32 106.14 1nqt s GLY 124 Ca 0.38 1.19 -0.12 0.00 0.00 0.00 0.00 44.72 46.17 1nqt s GLY 124 CO 0.24 2.22 0.33 0.00 0.00 0.00 0.00 173.10 175.88 1nqt s ALA 125 N 0.33 -0.38 -0.08 3.20 0.00 0.01 0.13 121.76 124.96 1nqt s ALA 125 Ca 0.60 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 1nqt s ALA 125 Cb -0.39 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.55 1nqt s ALA 125 CO 0.38 -0.64 0.69 0.21 0.00 0.00 0.00 175.76 176.39 1nqt s LYS 126 N -3.90 1.03 0.09 0.00 2.47 -0.64 -3.96 119.74 114.83 1nqt s LYS 126 Ca 0.10 0.36 0.04 0.00 -1.56 0.00 0.00 55.97 54.92 1nqt s LYS 126 Cb 0.03 0.49 -0.03 0.00 -1.46 0.00 0.00 37.83 36.85 1nqt s LYS 126 CO -0.05 -0.30 -0.11 0.00 0.16 0.00 0.00 175.35 175.05 1nqt s ALA 127 N -0.97 1.10 -0.08 3.13 0.00 -0.21 0.60 121.76 125.33 1nqt s ALA 127 Ca -0.09 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1nqt s ALA 127 Cb -0.01 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1nqt s ALA 127 CO 0.09 0.00 0.21 0.20 0.00 0.00 0.00 175.76 176.26 1nqt s GLY 128 N -2.27 -0.15 -0.17 0.00 0.00 0.25 -0.82 107.32 104.17 1nqt s GLY 128 Ca 0.03 0.65 0.01 0.00 0.00 0.00 0.00 44.72 45.41 1nqt s GLY 128 CO 0.01 0.62 -0.19 0.14 0.00 0.00 0.00 173.10 173.68 1nqt s VAL 129 N 0.29 1.94 -0.77 1.40 1.01 0.24 0.29 120.40 124.81 1nqt s VAL 129 Ca -0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1nqt s VAL 129 Cb -0.03 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1nqt s VAL 129 CO -0.01 0.52 2.00 -0.75 0.00 0.00 0.00 175.10 176.86 1nqt s LYS 130 N 1.26 2.44 -0.13 2.72 2.20 -0.14 -1.98 119.74 126.11 1nqt s LYS 130 Ca 0.03 0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 1nqt s LYS 130 Cb -0.13 -4.79 0.12 0.00 -1.51 0.00 0.00 37.83 31.52 1nqt s LYS 130 CO -0.11 -3.29 0.96 -1.50 -0.36 0.00 0.00 175.35 171.05 1nqt s ILE 131 N 10.44 0.00 -0.25 5.43 1.10 -1.18 -4.51 121.20 132.23 1nqt s ILE 131 Ca 0.73 0.00 -0.00 0.00 -0.51 0.00 0.00 60.65 60.87 1nqt s ILE 131 Cb -0.10 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.55 1nqt s ILE 131 CO 0.09 0.00 -0.08 0.21 -2.11 0.00 0.00 174.94 173.05 1nqt s ASN 132 N -1.38 4.27 0.32 4.50 3.84 -1.26 -1.02 114.94 124.21 1nqt s ASN 132 Ca -0.01 -0.99 0.09 0.00 0.21 0.00 0.00 52.86 52.16 1nqt s ASN 132 Cb -0.01 -1.63 0.87 0.00 -0.55 0.00 0.00 41.25 39.94 1nqt s ASN 132 CO 0.00 -0.14 1.74 -0.65 -2.79 0.00 0.00 177.10 175.26 1nqt h PRO 133 N 7.96 0.59 -0.62 0.43 0.11 -1.94 -1.72 132.00 136.81 1nqt h PRO 133 Ca -0.30 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.87 1nqt h PRO 133 Cb 1.09 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 1nqt h PRO 133 CO 0.56 0.39 0.22 0.87 -0.21 0.00 0.00 178.00 179.83 1nqt h LYS 134 N 0.61 0.39 -0.91 1.05 1.79 -1.98 -1.39 116.57 116.12 1nqt h LYS 134 Ca 0.63 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 1nqt h LYS 134 Cb 1.18 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1nqt h LYS 134 CO -0.45 0.26 0.00 0.09 -1.08 0.00 0.00 179.45 178.27 1nqt n ASN 135 N -5.01 1.25 -4.16 0.86 4.13 -0.65 -4.76 115.26 106.93 1nqt n ASN 135 Ca 0.09 -1.62 -0.11 0.00 1.68 0.00 0.00 54.58 54.62 1nqt n ASN 135 Cb 0.29 -0.41 -0.10 0.00 -1.54 0.00 0.00 39.78 38.02 1nqt n ASN 135 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1nqt s TYR 136 N -0.68 0.87 0.42 3.10 2.02 -0.52 -5.04 117.35 117.52 1nqt s TYR 136 Ca 0.00 -0.86 -0.01 0.00 -0.37 0.00 0.00 57.07 55.82 1nqt s TYR 136 Cb 0.00 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1nqt s TYR 136 CO 0.00 -0.14 0.66 0.95 -1.57 0.00 0.00 175.55 175.45 1nqt s THR 137 N -3.35 4.71 -1.01 -0.71 -4.23 -1.26 -4.85 115.64 104.94 1nqt s THR 137 Ca 0.09 -0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1nqt s THR 137 Cb 0.03 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.15 1nqt s THR 137 CO -0.04 -0.58 1.11 0.47 -0.54 0.00 0.00 174.62 175.04 1nqt n ASP 138 N -2.03 0.00 -0.03 3.99 9.92 -1.26 -0.20 116.55 126.94 1nqt n ASP 138 Ca -0.01 0.49 -0.02 0.00 -0.53 0.00 0.00 54.79 54.72 1nqt n ASP 138 Cb 0.56 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 40.41 1nqt n ASP 138 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1nqt n ASN 139 N -1.50 0.30 -0.01 -2.24 4.05 -1.26 -3.65 115.26 110.96 1nqt n ASN 139 Ca 0.01 0.14 -0.17 0.00 0.45 0.00 0.00 54.58 55.01 1nqt n ASN 139 Cb 0.04 0.93 -0.14 0.00 1.23 0.00 0.00 39.78 41.85 1nqt n ASN 139 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1nqt h GLU 140 N 0.00 0.15 -0.60 1.20 5.08 -1.24 -3.00 114.58 116.16 1nqt h GLU 140 Ca -0.29 -0.24 0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1nqt h GLU 140 Cb 1.73 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.96 1nqt h GLU 140 CO 0.03 1.10 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.80 1nqt h LEU 141 N -0.68 -0.94 0.00 1.33 3.38 -0.76 0.17 115.31 117.80 1nqt h LEU 141 Ca -0.07 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nqt h LEU 141 Cb 1.29 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1nqt h LEU 141 CO 0.07 -0.27 0.00 1.21 0.09 0.00 0.00 178.44 179.54 1nqt n GLU 142 N -5.44 0.00 -0.22 1.13 2.13 -1.24 -0.97 120.64 116.04 1nqt n GLU 142 Ca 0.05 0.72 0.03 0.00 0.66 0.00 0.00 57.16 58.62 1nqt n GLU 142 Cb 0.35 -1.48 0.07 0.00 0.27 0.00 0.00 31.44 30.65 1nqt n GLU 142 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1nqt n LYS 143 N -2.41 -0.07 0.39 5.31 5.02 -0.46 0.12 118.16 126.06 1nqt n LYS 143 Ca 0.00 0.92 -0.18 0.00 -2.02 0.00 0.00 58.31 57.03 1nqt n LYS 143 Cb 0.00 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 1nqt n LYS 143 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1nqt h ILE 144 N 0.00 0.25 -0.03 -0.18 2.04 -0.02 -2.26 117.51 117.31 1nqt h ILE 144 Ca 0.27 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 1nqt h ILE 144 Cb 0.42 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1nqt h ILE 144 CO -0.61 0.00 0.03 0.71 0.00 0.00 0.00 178.15 178.28 1nqt h THR 145 N -0.99 0.57 0.09 -0.27 1.35 0.27 0.03 112.91 113.97 1nqt h THR 145 Ca -0.09 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.50 1nqt h THR 145 Cb 0.77 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1nqt h THR 145 CO 0.14 0.00 -1.27 0.03 -0.25 0.00 0.00 175.52 174.16 1nqt h ARG 146 N 0.00 0.20 -0.25 4.72 3.08 -0.95 -2.28 114.38 118.90 1nqt h ARG 146 Ca 0.01 -0.33 -0.19 0.00 0.07 0.00 0.00 59.98 59.54 1nqt h ARG 146 Cb 0.07 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1nqt h ARG 146 CO -0.00 1.12 -0.60 -0.09 -1.07 0.00 0.00 179.97 179.32 1nqt h ARG 147 N 0.05 0.85 0.06 0.04 9.65 -0.81 -2.09 114.38 122.13 1nqt h ARG 147 Ca -0.14 -0.58 0.01 0.00 -1.10 0.00 0.00 59.98 58.17 1nqt h ARG 147 Cb 1.94 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 30.58 1nqt h ARG 147 CO 0.17 1.21 -0.24 0.35 2.80 0.00 0.00 179.97 184.26 1nqt h PHE 148 N 0.62 -0.69 -0.97 2.20 3.57 -1.05 -1.96 116.94 118.66 1nqt h PHE 148 Ca -0.00 0.02 0.26 0.00 3.53 0.00 0.00 57.97 61.77 1nqt h PHE 148 Cb 1.22 0.29 -0.18 0.00 2.79 0.00 0.00 35.95 40.07 1nqt h PHE 148 CO 0.08 -0.27 -0.01 2.41 -2.23 0.00 0.00 178.31 178.29 1nqt n THR 149 N -3.79 -0.41 0.27 4.41 -1.04 -0.86 -0.48 114.28 112.39 1nqt n THR 149 Ca -0.04 2.15 -0.16 0.00 -2.04 0.00 0.00 64.05 63.96 1nqt n THR 149 Cb 0.18 -3.12 -0.08 0.00 -1.82 0.00 0.00 70.33 65.49 1nqt n THR 149 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1nqt h MET 150 N 0.00 -0.76 -0.85 -2.82 2.86 -0.66 0.16 114.93 112.87 1nqt h MET 150 Ca 0.57 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 58.24 1nqt h MET 150 Cb 1.15 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.95 1nqt h MET 150 CO -0.93 -0.51 0.42 0.93 1.06 0.00 0.00 176.91 177.89 1nqt h GLU 151 N -0.79 1.21 -0.46 1.72 4.39 -0.52 0.78 114.58 120.91 1nqt h GLU 151 Ca -0.05 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.55 1nqt h GLU 151 Cb 0.67 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1nqt h GLU 151 CO 0.01 0.91 0.14 -0.07 -1.16 0.00 0.00 179.01 178.85 1nqt h LEU 152 N 1.20 0.12 0.81 1.33 4.07 -0.53 -2.98 115.31 119.33 1nqt h LEU 152 Ca 0.29 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 58.27 1nqt h LEU 152 Cb 0.09 0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.90 1nqt h LEU 152 CO -0.04 0.10 -0.39 0.00 -1.08 0.00 0.00 178.44 177.03 1nqt h ALA 153 N 1.32 -1.09 0.00 1.53 0.00 0.46 0.33 119.26 121.81 1nqt h ALA 153 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nqt h ALA 153 Cb 0.24 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nqt h ALA 153 CO -0.24 -1.03 0.44 0.87 0.00 0.00 0.00 179.25 179.29 1nqt h LYS 154 N -1.25 0.00 -0.05 0.00 1.57 -0.80 0.18 116.57 116.23 1nqt h LYS 154 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1nqt h LYS 154 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1nqt h LYS 154 CO 0.18 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.69 1nqt n LYS 155 N -2.10 1.24 -1.42 3.15 4.76 -1.13 -5.02 118.16 117.65 1nqt n LYS 155 Ca -0.01 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.26 1nqt n LYS 155 Cb 0.46 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 1nqt n LYS 155 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqt n GLY 156 N -0.05 0.79 0.96 0.72 0.00 0.64 -4.98 105.19 103.27 1nqt n GLY 156 Ca 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 1nqt n GLY 156 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nqt n PHE 157 N -3.16 0.69 -3.15 1.61 3.72 0.11 -4.81 117.46 112.47 1nqt n PHE 157 Ca 0.00 -1.68 0.06 0.00 -0.05 0.00 0.00 57.45 55.78 1nqt n PHE 157 Cb 0.34 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 1nqt n PHE 157 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1nqt s ILE 158 N -3.56 -0.19 -0.11 4.37 -1.16 -1.24 -4.76 121.20 114.54 1nqt s ILE 158 Ca 0.41 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.25 1nqt s ILE 158 Cb 0.38 -0.80 0.10 0.00 0.61 0.00 0.00 42.46 42.75 1nqt s ILE 158 CO -0.04 0.00 0.85 -0.83 -2.81 0.00 0.00 174.94 172.11 1nqt s GLY 159 N 2.97 -0.41 0.21 1.50 0.00 -1.01 -4.51 107.32 106.08 1nqt s GLY 159 Ca 0.03 1.72 -0.09 0.00 0.00 0.00 0.00 44.72 46.38 1nqt s GLY 159 CO -0.12 1.02 1.87 -0.56 0.00 0.00 0.00 173.10 175.31 1nqt h PRO 160 N 2.81 0.95 0.00 2.90 0.13 -1.85 0.97 132.00 137.91 1nqt h PRO 160 Ca -0.22 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1nqt h PRO 160 Cb 1.15 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1nqt h PRO 160 CO 0.34 0.63 -0.79 0.41 -0.23 0.00 0.00 178.00 178.36 1nqt n GLY 161 N -1.31 -1.23 0.10 1.56 0.00 -1.26 -4.61 105.19 98.44 1nqt n GLY 161 Ca 0.08 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1nqt n GLY 161 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqt n ILE 162 N -1.77 1.49 -3.15 -0.61 5.41 -0.86 -3.34 119.36 116.53 1nqt n ILE 162 Ca 0.04 0.04 0.05 0.00 1.00 0.00 0.00 62.75 63.87 1nqt n ILE 162 Cb 0.39 -2.24 -0.00 0.00 -0.71 0.00 0.00 39.64 37.08 1nqt n ILE 162 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1nqt s ASP 163 N -6.28 -1.08 -0.21 4.38 2.15 0.28 0.17 116.67 116.08 1nqt s ASP 163 Ca -0.28 0.16 -0.27 0.00 0.43 0.00 0.00 52.55 52.59 1nqt s ASP 163 Cb 0.06 1.69 -0.00 0.00 -0.30 0.00 0.00 42.92 44.37 1nqt s ASP 163 CO 0.41 -0.20 0.93 -0.69 -0.17 0.00 0.00 175.17 175.45 1nqt s VAL 164 N 2.89 4.78 0.63 1.11 1.01 1.00 -2.41 120.40 129.40 1nqt s VAL 164 Ca 0.18 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.97 1nqt s VAL 164 Cb -0.07 -4.21 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1nqt s VAL 164 CO -0.24 -0.09 0.87 -2.84 0.00 0.00 0.00 175.10 172.80 1nqt s PRO 165 N 2.77 2.14 0.24 2.72 0.02 -1.25 -2.45 135.00 139.18 1nqt s PRO 165 Ca 0.40 -1.03 -0.20 0.00 0.02 0.00 0.00 61.00 60.19 1nqt s PRO 165 Cb -0.16 -2.44 0.03 0.00 0.02 0.00 0.00 34.50 31.95 1nqt s PRO 165 CO 0.09 -1.05 0.64 0.00 -0.33 0.00 0.00 177.00 176.35 1nqt s ALA 166 N -2.91 -1.17 1.14 -1.55 0.00 -1.07 -1.95 121.76 114.26 1nqt s ALA 166 Ca 0.62 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 1nqt s ALA 166 Cb -0.08 0.88 0.27 0.00 0.00 0.00 0.00 23.12 24.19 1nqt s ALA 166 CO 0.41 -0.93 1.04 -1.25 0.00 0.00 0.00 175.76 175.03 1nqt s PRO 167 N -3.89 -0.76 0.00 0.00 0.04 -1.26 0.70 135.00 129.83 1nqt s PRO 167 Ca 0.10 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1nqt s PRO 167 Cb -0.04 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1nqt s PRO 167 CO 0.01 -3.61 0.00 -3.47 0.04 0.00 0.00 177.00 169.97 1nqt n ASP 168 N -4.83 0.56 0.11 6.66 -0.08 -1.21 -4.24 116.55 113.52 1nqt n ASP 168 Ca 0.03 -0.48 -0.04 0.00 -1.51 0.00 0.00 54.79 52.80 1nqt n ASP 168 Cb 0.55 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.11 1nqt n ASP 168 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1nqt h MET 169 N 0.00 0.08 0.00 -0.67 2.86 -1.99 -3.09 114.93 112.13 1nqt h MET 169 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1nqt h MET 169 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1nqt h MET 169 CO 0.00 0.73 0.00 -1.13 1.06 0.00 0.00 176.91 177.57 1nqt n SER 170 N -3.76 0.35 -4.25 1.22 3.41 -1.26 -4.84 113.62 104.49 1nqt n SER 170 Ca -0.02 0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 59.01 1nqt n SER 170 Cb 0.67 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 1nqt n SER 170 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nqt s THR 171 N -3.10 0.61 0.00 6.66 -4.23 -1.17 -4.61 115.64 109.80 1nqt s THR 171 Ca 0.09 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1nqt s THR 171 Cb 0.13 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1nqt s THR 171 CO 0.44 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1nqt n GLY 172 N -0.28 4.45 0.19 3.99 0.00 -1.26 -3.76 105.19 108.51 1nqt n GLY 172 Ca -0.05 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.10 1nqt n GLY 172 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nqt h GLU 173 N 0.00 0.00 -0.62 1.61 4.11 -1.97 -2.36 114.58 115.35 1nqt h GLU 173 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1nqt h GLU 173 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1nqt h GLU 173 CO 0.00 0.39 0.15 -0.09 0.07 0.00 0.00 179.01 179.53 1nqt h ARG 174 N 0.00 0.96 -0.00 1.06 2.43 -1.96 0.25 114.38 117.11 1nqt h ARG 174 Ca -0.00 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1nqt h ARG 174 Cb 0.80 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1nqt h ARG 174 CO 0.05 0.85 -0.02 0.93 -1.51 0.00 0.00 179.97 180.28 1nqt h GLU 175 N 0.92 0.02 -0.26 0.20 5.08 -1.89 -2.73 114.58 115.91 1nqt h GLU 175 Ca 0.20 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1nqt h GLU 175 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nqt h GLU 175 CO -0.00 0.68 0.30 0.52 -1.00 0.00 0.00 179.01 179.51 1nqt h MET 176 N -0.64 0.00 -0.06 2.33 2.86 -1.13 0.59 114.93 118.88 1nqt h MET 176 Ca -0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.39 1nqt h MET 176 Cb 0.68 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.35 1nqt h MET 176 CO 0.00 0.00 -0.93 1.03 1.06 0.00 0.00 176.91 178.08 1nqt h SER 177 N 0.00 0.88 -0.17 1.22 0.87 -0.36 -1.70 113.55 114.28 1nqt h SER 177 Ca 0.12 -0.65 -0.08 0.00 -1.23 0.00 0.00 61.79 59.95 1nqt h SER 177 Cb 0.73 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1nqt h SER 177 CO -0.00 1.45 -0.22 -0.50 -0.53 0.00 0.00 176.83 177.03 1nqt h TRP 178 N 0.43 0.56 -0.52 2.24 6.55 -0.38 0.18 115.95 125.01 1nqt h TRP 178 Ca -0.09 -0.18 0.09 0.00 0.95 0.00 0.00 58.89 59.66 1nqt h TRP 178 Cb 1.57 -0.11 -0.07 0.00 -0.86 0.00 0.00 29.16 29.68 1nqt h TRP 178 CO 0.09 0.85 0.13 0.82 -1.05 0.00 0.00 178.44 179.28 1nqt h ILE 179 N 0.10 0.73 0.80 1.49 1.08 -0.01 -0.18 117.51 121.52 1nqt h ILE 179 Ca 0.02 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 1nqt h ILE 179 Cb 0.77 0.43 0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1nqt h ILE 179 CO 0.05 0.05 -0.38 0.00 -0.69 0.00 0.00 178.15 177.18 1nqt h ALA 180 N 1.40 -1.07 -1.58 1.87 0.00 -1.16 -2.60 119.26 116.11 1nqt h ALA 180 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nqt h ALA 180 Cb 0.35 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nqt h ALA 180 CO -0.32 -1.10 0.00 -3.47 0.00 0.00 0.00 179.25 174.36 1nqt n ASP 181 N -5.55 0.00 -0.21 0.00 -0.08 0.04 -2.14 116.55 108.61 1nqt n ASP 181 Ca -0.15 0.74 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1nqt n ASP 181 Cb 0.43 -0.24 0.03 0.00 2.34 0.00 0.00 41.12 43.69 1nqt n ASP 181 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1nqt n THR 182 N -1.54 -0.27 0.00 5.18 -1.04 -0.11 0.04 114.28 116.54 1nqt n THR 182 Ca 0.00 1.27 0.00 0.00 -2.04 0.00 0.00 64.05 63.28 1nqt n THR 182 Cb 0.00 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1nqt n THR 182 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nqt n TYR 183 N -4.82 0.00 -0.33 -1.42 9.36 -0.98 -1.94 117.16 117.03 1nqt n TYR 183 Ca 0.06 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.22 1nqt n TYR 183 Cb 0.23 -0.40 -0.04 0.00 -0.63 0.00 0.00 39.34 38.50 1nqt n TYR 183 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nqt n ALA 184 N -2.29 -0.38 1.12 2.98 0.00 0.11 -0.43 120.51 121.61 1nqt n ALA 184 Ca 0.00 0.74 0.07 0.00 0.00 0.00 0.00 53.44 54.25 1nqt n ALA 184 Cb 0.00 -0.20 0.41 0.00 0.00 0.00 0.00 19.45 19.66 1nqt n ALA 184 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nqt n SER 185 N -5.08 0.00 0.00 0.00 3.41 -0.81 -0.49 113.62 110.65 1nqt n SER 185 Ca 0.04 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1nqt n SER 185 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1nqt n SER 185 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nqt n THR 186 N -0.89 0.00 -0.18 6.66 -1.04 0.43 -4.82 114.28 114.44 1nqt n THR 186 Ca 0.10 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.05 1nqt n THR 186 Cb 0.05 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.55 1nqt n THR 186 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nqt h ILE 187 N 0.00 0.17 0.00 12.58 1.08 -1.78 -0.50 117.51 129.05 1nqt h ILE 187 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1nqt h ILE 187 Cb 0.00 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 1nqt h ILE 187 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1nqt n GLY 188 N -1.42 -0.07 0.41 5.37 0.00 -0.85 -4.33 105.19 104.30 1nqt n GLY 188 Ca 0.03 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.30 1nqt n GLY 188 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nqt h HIS 189 N 0.06 0.65 -0.53 1.61 6.17 0.94 -0.61 115.15 123.45 1nqt h HIS 189 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1nqt h HIS 189 Cb 0.15 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.90 1nqt h HIS 189 CO 0.00 0.00 0.00 0.66 0.71 0.00 0.00 177.93 179.30 1nqt n TYR 190 N -4.66 0.69 -3.02 5.26 4.02 -1.26 -4.87 117.16 113.32 1nqt n TYR 190 Ca 0.28 -0.35 -0.41 0.00 -0.01 0.00 0.00 57.90 57.41 1nqt n TYR 190 Cb 0.98 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.24 1nqt n TYR 190 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nqt s ASP 191 N -1.30 6.69 0.55 7.72 3.68 -0.24 -4.91 116.67 128.87 1nqt s ASP 191 Ca 0.43 0.85 0.28 0.00 2.13 0.00 0.00 52.55 56.24 1nqt s ASP 191 Cb 0.24 -2.38 1.61 0.00 -1.45 0.00 0.00 42.92 40.94 1nqt s ASP 191 CO 0.32 -0.43 2.15 -0.29 0.13 0.00 0.00 175.17 177.06 1nqt h ILE 192 N 5.41 0.56 -0.80 4.11 2.10 -1.89 -2.14 117.51 124.84 1nqt h ILE 192 Ca -0.25 -0.30 -0.47 0.00 1.08 0.00 0.00 64.86 64.91 1nqt h ILE 192 Cb 1.11 1.19 -0.26 0.00 -1.09 0.00 0.00 36.82 37.78 1nqt h ILE 192 CO 0.81 0.07 0.38 0.59 -1.08 0.00 0.00 178.15 178.92 1nqt n ASN 193 N -3.74 4.47 -0.29 2.19 3.02 -1.26 -4.67 115.26 114.98 1nqt n ASN 193 Ca -0.02 -3.72 0.19 0.00 -0.03 0.00 0.00 54.58 51.00 1nqt n ASN 193 Cb 0.17 -0.78 0.48 0.00 -0.61 0.00 0.00 39.78 39.04 1nqt n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nqt h ALA 194 N 1.35 2.12 0.00 5.41 0.00 -1.66 0.38 119.26 126.86 1nqt h ALA 194 Ca 0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1nqt h ALA 194 Cb 1.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1nqt h ALA 194 CO 1.00 -0.47 0.00 0.72 0.00 0.00 0.00 179.25 180.51 1nqt n HIS 195 N -4.59 0.00 0.95 0.00 8.25 -1.26 -2.11 115.22 116.46 1nqt n HIS 195 Ca 0.22 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.80 1nqt n HIS 195 Cb 0.74 -0.04 0.11 0.00 1.12 0.00 0.00 29.99 31.92 1nqt n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nqt n ALA 196 N -0.30 2.46 1.06 -1.41 0.00 0.13 -4.34 120.51 118.11 1nqt n ALA 196 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 53.44 52.78 1nqt n ALA 196 Cb 0.10 -0.81 0.29 0.00 0.00 0.00 0.00 19.45 19.03 1nqt n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt s VAL 198 N -2.00 0.00 0.04 0.00 0.11 -1.26 -3.89 120.40 113.39 1nqt s VAL 198 Ca 0.15 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1nqt s VAL 198 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1nqt s VAL 198 CO 0.11 0.00 0.03 0.35 -3.33 0.00 0.00 175.10 172.26 1nqt n THR 199 N 1.53 0.00 -1.22 5.04 -2.24 -0.82 -4.68 114.28 111.89 1nqt n THR 199 Ca -0.10 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1nqt n THR 199 Cb 0.57 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1nqt n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqt n GLY 200 N 4.55 0.90 3.95 3.38 0.00 -1.26 -4.53 105.19 112.19 1nqt n GLY 200 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1nqt n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqt s LYS 201 N -2.32 3.20 0.55 1.61 -2.85 -1.26 -4.10 119.74 114.57 1nqt s LYS 201 Ca 0.00 -0.40 -0.21 0.00 -1.00 0.00 0.00 55.97 54.36 1nqt s LYS 201 Cb 0.00 -2.57 -0.06 0.00 -2.06 0.00 0.00 37.83 33.14 1nqt s LYS 201 CO 0.00 -0.16 1.13 -2.30 0.10 0.00 0.00 175.35 174.12 1nqt n PRO 202 N -2.02 1.27 -0.20 1.78 -0.02 -1.26 -3.52 135.00 131.03 1nqt n PRO 202 Ca -0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1nqt n PRO 202 Cb 0.57 -2.31 0.11 0.00 -0.02 0.00 0.00 33.50 31.85 1nqt n PRO 202 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1nqt h ILE 203 N 1.01 0.72 -0.46 4.25 1.08 -1.92 0.25 117.51 122.43 1nqt h ILE 203 Ca -0.49 -0.12 0.13 0.00 -0.39 0.00 0.00 64.86 64.00 1nqt h ILE 203 Cb 1.34 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1nqt h ILE 203 CO 0.54 0.06 0.36 0.77 -0.69 0.00 0.00 178.15 179.19 1nqt h SER 204 N 0.35 0.00 0.02 1.72 4.64 -1.91 0.83 113.55 119.20 1nqt h SER 204 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1nqt h SER 204 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1nqt h SER 204 CO -0.35 0.00 -0.43 0.00 -0.87 0.00 0.00 176.83 175.18 1nqt n GLN 205 N -4.23 1.20 0.00 4.77 1.13 0.56 -4.93 117.38 115.88 1nqt n GLN 205 Ca 0.08 -0.96 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 1nqt n GLN 205 Cb 0.56 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.43 1nqt n GLN 205 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nqt n GLY 206 N 1.41 1.97 3.92 1.08 0.00 0.28 -4.92 105.19 108.93 1nqt n GLY 206 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1nqt n GLY 206 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqt s GLY 207 N -2.00 1.70 0.08 -0.02 0.00 0.54 -4.81 107.32 102.82 1nqt s GLY 207 Ca 0.00 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 43.78 1nqt s GLY 207 CO 0.00 -0.38 -0.13 -1.50 0.00 0.00 0.00 173.10 171.09 1nqt s ILE 208 N -3.69 3.18 0.03 0.90 2.07 -1.26 -4.60 121.20 117.83 1nqt s ILE 208 Ca 0.68 -1.23 -0.30 0.00 -1.41 0.00 0.00 60.65 58.39 1nqt s ILE 208 Cb -0.07 -2.44 -0.05 0.00 0.13 0.00 0.00 42.46 40.04 1nqt s ILE 208 CO 0.50 0.20 1.15 -1.00 -1.91 0.00 0.00 174.94 173.88 1nqt s HIS 209 N -1.11 3.45 0.00 3.50 3.76 -1.26 -3.59 115.29 120.05 1nqt s HIS 209 Ca 0.19 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 1nqt s HIS 209 Cb -0.11 -3.35 0.00 0.00 1.11 0.00 0.00 32.58 30.23 1nqt s HIS 209 CO 0.10 -1.00 0.00 0.41 -0.85 0.00 0.00 174.74 173.40 1nqt n GLY 210 N 3.17 1.83 0.48 -2.22 0.00 -1.26 -4.20 105.19 102.98 1nqt n GLY 210 Ca 0.09 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.40 1nqt n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 211 N 1.33 0.00 0.30 1.61 2.43 -1.97 -1.67 114.38 116.41 1nqt h ARG 211 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1nqt h ARG 211 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1nqt h ARG 211 CO 0.00 0.00 -0.14 0.82 -1.51 0.00 0.00 179.97 179.14 1nqt h ILE 212 N 0.00 0.36 -0.02 1.20 2.04 -1.94 -3.29 117.51 115.86 1nqt h ILE 212 Ca 0.43 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1nqt h ILE 212 Cb 1.86 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1nqt h ILE 212 CO -0.00 0.09 0.02 0.77 0.00 0.00 0.00 178.15 179.03 1nqt h SER 213 N -1.01 0.00 0.00 1.72 4.64 -1.93 -3.37 113.55 113.59 1nqt h SER 213 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1nqt h SER 213 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1nqt h SER 213 CO 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1nqt n ALA 214 N -2.45 0.00 -0.29 5.18 0.00 -0.65 0.33 120.51 122.63 1nqt n ALA 214 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1nqt n ALA 214 Cb 0.11 0.06 0.27 0.00 0.00 0.00 0.00 19.45 19.89 1nqt n ALA 214 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nqt h THR 215 N 0.00 0.41 -0.61 0.00 2.02 -1.80 0.41 112.91 113.34 1nqt h THR 215 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1nqt h THR 215 Cb 0.00 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1nqt h THR 215 CO 0.00 0.05 0.33 1.23 0.37 0.00 0.00 175.52 177.50 1nqt h GLY 216 N 0.29 0.92 0.96 2.16 0.00 -1.46 -0.93 103.07 105.01 1nqt h GLY 216 Ca 0.53 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1nqt h GLY 216 CO -0.58 0.41 0.08 3.21 0.00 0.00 0.00 176.54 179.66 1nqt h ARG 217 N 0.83 0.75 -0.24 4.80 3.08 0.18 -2.58 114.38 121.20 1nqt h ARG 217 Ca 0.21 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1nqt h ARG 217 Cb 0.06 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 1nqt h ARG 217 CO -0.03 0.76 -0.54 0.78 -1.07 0.00 0.00 179.97 179.86 1nqt h GLY 218 N 0.61 -1.03 -0.53 0.04 0.00 0.66 -0.05 103.07 102.77 1nqt h GLY 218 Ca 0.14 0.69 0.21 0.00 0.00 0.00 0.00 47.33 48.36 1nqt h GLY 218 CO 0.01 -0.17 0.06 -2.08 0.00 0.00 0.00 176.54 174.36 1nqt h VAL 219 N -0.51 0.26 0.84 4.60 2.07 -0.88 0.11 116.25 122.74 1nqt h VAL 219 Ca 0.05 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1nqt h VAL 219 Cb 0.65 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1nqt h VAL 219 CO -0.50 0.02 -0.47 0.15 0.02 0.00 0.00 177.57 176.79 1nqt h PHE 220 N 0.11 -1.25 -0.82 1.57 3.04 -0.68 -2.00 116.94 116.91 1nqt h PHE 220 Ca 0.49 -0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.54 1nqt h PHE 220 Cb 0.93 0.43 -0.06 0.00 2.56 0.00 0.00 35.95 39.81 1nqt h PHE 220 CO -0.41 -0.73 0.53 0.45 -2.02 0.00 0.00 178.31 176.14 1nqt h HIS 221 N -1.22 0.73 0.62 0.41 3.86 -0.36 0.40 115.15 119.61 1nqt h HIS 221 Ca -0.11 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1nqt h HIS 221 Cb 0.96 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 1nqt h HIS 221 CO -0.07 0.30 -0.51 0.78 0.86 0.00 0.00 177.93 179.30 1nqt h GLY 222 N 0.65 -1.31 0.51 2.45 0.00 -0.58 -0.78 103.07 104.01 1nqt h GLY 222 Ca 0.40 0.58 0.02 0.00 0.00 0.00 0.00 47.33 48.33 1nqt h GLY 222 CO -0.16 -0.41 -0.26 -2.22 0.00 0.00 0.00 176.54 173.50 1nqt h ILE 223 N -1.10 0.43 -0.39 2.60 2.04 -0.55 -3.03 117.51 117.51 1nqt h ILE 223 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1nqt h ILE 223 Cb 0.92 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 1nqt h ILE 223 CO 0.00 0.00 -0.49 -0.08 0.00 0.00 0.00 178.15 177.59 1nqt h GLU 224 N -0.44 -0.31 -1.41 2.37 4.81 -0.08 0.15 114.58 119.67 1nqt h GLU 224 Ca 0.04 0.02 0.41 0.00 -0.13 0.00 0.00 59.36 59.70 1nqt h GLU 224 Cb 0.49 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1nqt h GLU 224 CO -0.17 -0.20 1.05 -0.91 -0.73 0.00 0.00 179.01 178.04 1nqt h ASN 225 N -0.32 0.00 0.23 1.04 2.35 -1.01 0.38 115.58 118.25 1nqt h ASN 225 Ca 0.07 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 1nqt h ASN 225 Cb 0.50 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1nqt h ASN 225 CO -0.54 0.00 -1.89 0.49 -1.65 0.00 0.00 177.43 173.84 1nqt n PHE 226 N -4.02 0.28 1.20 1.19 3.01 -0.56 -3.79 117.46 114.77 1nqt n PHE 226 Ca 0.31 0.09 0.04 0.00 1.01 0.00 0.00 57.45 58.90 1nqt n PHE 226 Cb 1.49 -0.79 0.11 0.00 -0.01 0.00 0.00 39.48 40.29 1nqt n PHE 226 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1nqt n ILE 227 N -2.55 0.34 -0.15 4.37 0.13 0.12 -2.68 119.36 118.94 1nqt n ILE 227 Ca -0.12 -0.34 0.00 0.00 -1.10 0.00 0.00 62.75 61.19 1nqt n ILE 227 Cb 0.77 0.17 0.00 0.00 -0.84 0.00 0.00 39.64 39.74 1nqt n ILE 227 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1nqt n ASN 228 N 0.23 0.64 -4.36 9.51 5.03 -0.66 -4.83 115.26 120.83 1nqt n ASN 228 Ca 0.08 -0.87 -0.43 0.00 0.87 0.00 0.00 54.58 54.23 1nqt n ASN 228 Cb 0.21 0.18 -0.08 0.00 -1.02 0.00 0.00 39.78 39.06 1nqt n ASN 228 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1nqt s GLU 229 N -0.18 2.88 0.05 3.52 2.56 -1.09 -4.97 118.70 121.47 1nqt s GLU 229 Ca 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 54.97 53.49 1nqt s GLU 229 Cb 0.00 -4.04 -0.02 0.00 2.00 0.00 0.00 34.13 32.07 1nqt s GLU 229 CO 0.00 -1.01 1.04 0.00 -0.56 0.00 0.00 175.26 174.74 1nqt n ALA 230 N 5.13 -0.20 -0.18 6.30 0.00 -1.26 -1.21 120.51 129.08 1nqt n ALA 230 Ca -0.12 0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 1nqt n ALA 230 Cb 0.43 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 1nqt n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nqt n SER 231 N -3.69 -0.44 -0.17 0.00 7.64 -1.26 0.30 113.62 116.00 1nqt n SER 231 Ca 0.01 1.02 -0.01 0.00 1.01 0.00 0.00 58.87 60.90 1nqt n SER 231 Cb 0.08 -0.24 0.22 0.00 -1.01 0.00 0.00 64.21 63.26 1nqt n SER 231 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1nqt h TYR 232 N 0.00 0.91 0.00 1.43 -1.99 -1.76 -1.66 116.97 113.90 1nqt h TYR 232 Ca 0.07 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1nqt h TYR 232 Cb 0.17 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.61 1nqt h TYR 232 CO -0.70 0.66 0.00 -1.33 -0.00 0.00 0.00 178.16 176.79 1nqt n MET 233 N -4.35 0.98 -0.11 4.88 2.81 0.15 -3.21 117.12 118.26 1nqt n MET 233 Ca 0.06 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.71 1nqt n MET 233 Cb 0.13 -1.43 -0.11 0.00 -0.71 0.00 0.00 33.22 31.09 1nqt n MET 233 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1nqt n SER 234 N -0.93 1.89 -0.38 7.83 3.41 0.36 0.16 113.62 125.95 1nqt n SER 234 Ca 0.20 0.39 0.34 0.00 -0.26 0.00 0.00 58.87 59.54 1nqt n SER 234 Cb 0.09 -0.92 0.67 0.00 -0.26 0.00 0.00 64.21 63.79 1nqt n SER 234 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1nqt h ILE 235 N -0.98 0.35 0.00 -1.33 1.08 -1.50 0.68 117.51 115.82 1nqt h ILE 235 Ca -0.46 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1nqt h ILE 235 Cb 1.41 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1nqt h ILE 235 CO -0.27 0.02 -1.76 0.18 -0.69 0.00 0.00 178.15 175.63 1nqt n LEU 236 N -4.38 0.24 -1.71 1.44 4.77 -1.20 -5.01 117.00 111.15 1nqt n LEU 236 Ca 0.29 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 56.15 1nqt n LEU 236 Cb 1.25 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.34 1nqt n LEU 236 CO 0.33 0.06 0.02 0.61 -1.33 0.00 0.00 177.39 177.08 1nqt n GLY 237 N 1.32 0.12 0.00 -0.72 0.00 0.24 -5.08 105.19 101.06 1nqt n GLY 237 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1nqt n GLY 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nqt n MET 238 N -1.41 2.01 -3.63 1.61 2.00 0.43 -4.92 117.12 113.20 1nqt n MET 238 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 1nqt n MET 238 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.73 1nqt n MET 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nqt n THR 239 N 0.00 -4.87 -1.50 2.03 5.66 -1.26 -4.83 114.28 109.51 1nqt n THR 239 Ca 0.00 -0.05 -0.30 0.00 -3.05 0.00 0.00 64.05 60.65 1nqt n THR 239 Cb 0.00 -3.83 0.10 0.00 -1.55 0.00 0.00 70.33 65.05 1nqt n THR 239 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1nqt s PRO 240 N -4.46 1.85 -0.00 1.09 0.02 -1.26 -5.06 135.00 127.17 1nqt s PRO 240 Ca 0.01 0.63 0.03 0.00 0.02 0.00 0.00 61.00 61.69 1nqt s PRO 240 Cb -0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1nqt s PRO 240 CO 0.86 -1.78 0.11 0.41 -0.33 0.00 0.00 177.00 176.28 1nqt n GLY 241 N -1.96 0.30 0.06 0.52 0.00 -1.26 -4.39 105.19 98.46 1nqt n GLY 241 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1nqt n GLY 241 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqt n PHE 242 N -1.33 0.00 0.96 1.61 7.35 -1.26 -4.74 117.46 120.06 1nqt n PHE 242 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1nqt n PHE 242 Cb 0.07 -0.40 -0.12 0.00 0.35 0.00 0.00 39.48 39.38 1nqt n PHE 242 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nqt n GLY 243 N 2.99 -0.98 5.26 7.13 0.00 -1.26 -4.99 105.19 113.34 1nqt n GLY 243 Ca -0.18 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1nqt n GLY 243 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nqt n ASP 244 N -1.52 0.00 -3.70 1.61 4.64 -1.26 -4.48 116.55 111.84 1nqt n ASP 244 Ca 0.04 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.30 1nqt n ASP 244 Cb 0.33 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.34 1nqt n ASP 244 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1nqt s LYS 245 N 0.00 0.77 -0.18 -0.67 1.02 -1.26 -4.14 119.74 115.27 1nqt s LYS 245 Ca 0.00 -0.09 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 1nqt s LYS 245 Cb 0.00 0.35 0.08 0.00 -0.52 0.00 0.00 37.83 37.74 1nqt s LYS 245 CO 0.00 -0.22 0.40 0.95 -0.92 0.00 0.00 175.35 175.56 1nqt s THR 246 N -1.35 -0.49 0.37 2.17 -4.23 -1.26 -2.22 115.64 108.63 1nqt s THR 246 Ca -0.13 0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1nqt s THR 246 Cb -0.04 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1nqt s THR 246 CO 0.05 0.07 0.08 0.72 -0.54 0.00 0.00 174.62 175.00 1nqt s PHE 247 N 2.34 1.89 -0.02 3.99 -0.71 -0.17 0.38 117.98 125.68 1nqt s PHE 247 Ca -0.03 -1.08 -0.04 0.00 -1.04 0.00 0.00 56.93 54.74 1nqt s PHE 247 Cb -0.11 -1.26 0.00 0.00 -1.21 0.00 0.00 43.02 40.44 1nqt s PHE 247 CO -0.12 -0.09 0.09 0.08 -1.34 0.00 0.00 175.22 173.84 1nqt s VAL 248 N -3.23 0.04 -0.07 -2.49 1.01 0.07 -0.27 120.40 115.47 1nqt s VAL 248 Ca 0.29 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1nqt s VAL 248 Cb 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.20 1nqt s VAL 248 CO 0.14 -0.18 -0.15 0.54 0.00 0.00 0.00 175.10 175.45 1nqt s VAL 249 N -0.56 1.35 -0.33 2.92 0.11 -0.95 0.29 120.40 123.23 1nqt s VAL 249 Ca -0.06 -0.61 -0.12 0.00 -2.93 0.00 0.00 61.98 58.26 1nqt s VAL 249 Cb -0.04 -1.21 -0.01 0.00 -1.53 0.00 0.00 36.38 33.59 1nqt s VAL 249 CO 0.00 0.40 0.21 -1.10 -3.33 0.00 0.00 175.10 171.28 1nqt s GLN 250 N 0.55 3.43 0.00 1.54 -1.52 -0.06 -2.01 119.66 121.58 1nqt s GLN 250 Ca -0.15 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 1nqt s GLN 250 Cb -0.16 -3.72 0.00 0.00 -0.22 0.00 0.00 33.01 28.91 1nqt s GLN 250 CO 0.05 -0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.06 1nqt n GLY 251 N 5.06 0.79 2.67 3.09 0.00 0.16 -0.21 105.19 116.75 1nqt n GLY 251 Ca -0.13 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1nqt n GLY 251 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqt n PHE 252 N 0.59 2.37 -0.88 1.61 -0.00 -1.23 -3.87 117.46 116.06 1nqt n PHE 252 Ca 0.00 -2.26 0.00 0.00 -0.00 0.00 0.00 57.45 55.19 1nqt n PHE 252 Cb 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 39.48 38.14 1nqt n PHE 252 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 253 N 0.33 1.49 0.06 7.13 0.00 -1.26 -4.69 105.19 108.24 1nqt n GLY 253 Ca 0.52 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 1nqt n GLY 253 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1nqt h ASN 254 N 0.00 -0.12 -0.25 1.61 -1.24 -1.91 -2.41 115.58 111.26 1nqt h ASN 254 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1nqt h ASN 254 Cb 0.00 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.01 1nqt h ASN 254 CO 0.00 -0.09 -0.54 1.62 -1.29 0.00 0.00 177.43 177.13 1nqt h VAL 255 N -0.15 0.01 -0.86 2.57 3.04 -1.92 -1.94 116.25 117.00 1nqt h VAL 255 Ca -0.01 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.82 1nqt h VAL 255 Cb 0.11 0.01 -0.15 0.00 -2.01 0.00 0.00 31.29 29.25 1nqt h VAL 255 CO 0.02 0.00 -0.34 1.23 -1.01 0.00 0.00 177.57 177.48 1nqt h GLY 256 N -0.50 0.16 0.01 3.17 0.00 -1.67 -0.90 103.07 103.33 1nqt h GLY 256 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1nqt h GLY 256 CO -0.50 -0.24 -0.02 -2.00 0.00 0.00 0.00 176.54 173.78 1nqt h LEU 257 N -0.04 -0.07 -1.82 3.11 5.85 -0.83 -0.90 115.31 120.61 1nqt h LEU 257 Ca 0.34 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.21 1nqt h LEU 257 Cb 0.60 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1nqt h LEU 257 CO -0.89 -0.03 0.58 0.45 -0.34 0.00 0.00 178.44 178.21 1nqt h HIS 258 N -0.04 0.00 -0.01 1.25 3.86 -1.04 0.40 115.15 119.57 1nqt h HIS 258 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1nqt h HIS 258 Cb 0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1nqt h HIS 258 CO -0.24 0.00 -0.02 0.77 0.86 0.00 0.00 177.93 179.31 1nqt h SER 259 N 0.00 0.04 0.22 2.45 0.02 -0.61 -0.93 113.55 114.74 1nqt h SER 259 Ca 0.24 -0.51 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 1nqt h SER 259 Cb 1.40 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1nqt h SER 259 CO -0.00 0.54 -0.21 -0.03 -1.14 0.00 0.00 176.83 175.98 1nqt h MET 260 N -0.46 0.00 0.49 3.45 1.85 0.10 -0.31 114.93 120.05 1nqt h MET 260 Ca 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1nqt h MET 260 Cb 0.53 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1nqt h MET 260 CO 0.00 0.21 -0.23 -0.09 -0.40 0.00 0.00 176.91 176.40 1nqt h ARG 261 N 0.00 -0.63 -0.03 0.39 2.43 -0.36 -2.38 114.38 113.79 1nqt h ARG 261 Ca -0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1nqt h ARG 261 Cb 0.38 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1nqt h ARG 261 CO 0.03 -0.34 0.00 1.88 -1.51 0.00 0.00 179.97 180.03 1nqt h TYR 262 N -1.06 0.05 -0.56 2.20 0.05 -1.10 -1.86 116.97 114.69 1nqt h TYR 262 Ca -0.07 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 58.87 1nqt h TYR 262 Cb 0.58 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1nqt h TYR 262 CO 0.01 0.31 0.44 1.25 -1.05 0.00 0.00 178.16 179.13 1nqt h LEU 263 N -0.22 0.00 0.20 3.88 5.85 -1.15 -1.53 115.31 122.34 1nqt h LEU 263 Ca 0.01 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.42 1nqt h LEU 263 Cb 0.28 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.34 1nqt h LEU 263 CO 0.00 0.00 -1.44 -0.74 -0.34 0.00 0.00 178.44 175.92 1nqt h HIS 264 N 0.00 0.76 -0.19 1.25 2.76 -1.17 -2.92 115.15 115.63 1nqt h HIS 264 Ca 0.27 -0.55 0.05 0.00 -2.20 0.00 0.00 60.37 57.94 1nqt h HIS 264 Cb 1.15 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 1nqt h HIS 264 CO 0.00 1.56 0.18 -0.09 -1.30 0.00 0.00 177.93 178.27 1nqt h ARG 265 N -0.02 0.00 -0.64 5.26 2.43 -0.44 -1.53 114.38 119.44 1nqt h ARG 265 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1nqt h ARG 265 Cb 2.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1nqt h ARG 265 CO 0.19 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.84 1nqt n PHE 266 N -4.04 1.65 0.00 2.20 0.99 -0.97 -4.94 117.46 112.36 1nqt n PHE 266 Ca 0.02 -0.63 0.00 0.00 -0.00 0.00 0.00 57.45 56.84 1nqt n PHE 266 Cb 0.30 -0.32 0.00 0.00 -1.00 0.00 0.00 39.48 38.46 1nqt n PHE 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 267 N 0.98 3.28 3.70 1.37 0.00 -0.57 -5.08 105.19 108.86 1nqt n GLY 267 Ca 0.26 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 1nqt n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt n ALA 268 N 0.00 1.95 -2.62 4.61 0.00 -1.10 -4.80 120.51 118.55 1nqt n ALA 268 Ca 0.00 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 1nqt n ALA 268 Cb 0.00 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.97 1nqt n ALA 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nqt s LYS 269 N 0.41 4.07 -0.38 0.00 2.20 -0.94 -4.01 119.74 121.08 1nqt s LYS 269 Ca 0.73 0.24 -0.28 0.00 -0.36 0.00 0.00 55.97 56.30 1nqt s LYS 269 Cb -0.59 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.11 1nqt s LYS 269 CO 0.41 -0.30 1.02 0.00 -0.36 0.00 0.00 175.35 176.12 1nqt h ILE 271 N 5.90 0.91 -3.67 0.00 3.07 -0.88 -2.43 117.51 120.41 1nqt h ILE 271 Ca -0.22 -2.60 -0.15 0.00 1.55 0.00 0.00 64.86 63.44 1nqt h ILE 271 Cb 1.07 2.63 -0.20 0.00 -0.27 0.00 0.00 36.82 40.04 1nqt h ILE 271 CO 1.03 0.80 -0.54 0.00 -1.05 0.00 0.00 178.15 178.39 1nqt s ALA 272 N -2.59 -0.18 -0.04 0.16 0.00 -1.26 -2.09 121.76 115.76 1nqt s ALA 272 Ca -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1nqt s ALA 272 Cb 0.07 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1nqt s ALA 272 CO 0.82 -0.22 0.04 0.08 0.00 0.00 0.00 175.76 176.49 1nqt s VAL 273 N -1.61 0.02 0.18 0.00 1.01 -1.07 -2.24 120.40 116.69 1nqt s VAL 273 Ca -0.13 0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.25 1nqt s VAL 273 Cb -0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1nqt s VAL 273 CO 0.00 0.18 -0.13 -0.83 0.00 0.00 0.00 175.10 174.32 1nqt s GLY 274 N 1.87 1.72 0.08 4.51 0.00 -0.85 -1.55 107.32 113.10 1nqt s GLY 274 Ca 0.02 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1nqt s GLY 274 CO -0.03 -1.51 0.02 1.18 0.00 0.00 0.00 173.10 172.76 1nqt n GLU 275 N 0.15 1.03 -0.18 2.90 -0.58 -0.44 0.40 120.64 123.93 1nqt n GLU 275 Ca -0.11 -0.68 -0.08 0.00 -0.42 0.00 0.00 57.16 55.86 1nqt n GLU 275 Cb 0.55 0.34 0.01 0.00 -0.57 0.00 0.00 31.44 31.77 1nqt n GLU 275 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1nqt h SER 276 N 0.30 0.67 0.00 1.62 0.02 -2.00 -3.34 113.55 110.83 1nqt h SER 276 Ca -0.07 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1nqt h SER 276 Cb 0.24 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1nqt h SER 276 CO 0.11 0.62 0.00 0.47 -1.14 0.00 0.00 176.83 176.89 1nqt n ASP 277 N -4.59 0.00 0.00 3.07 8.00 -1.26 -5.03 116.55 116.74 1nqt n ASP 277 Ca 0.02 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1nqt n ASP 277 Cb 0.12 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1nqt n ASP 277 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqt n GLY 278 N 0.09 4.87 3.68 0.44 0.00 -1.25 -4.99 105.19 108.03 1nqt n GLY 278 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1nqt n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqt s SER 279 N 1.00 0.38 -0.00 1.61 0.01 -1.26 -1.33 113.70 114.11 1nqt s SER 279 Ca 0.00 -1.29 -0.12 0.00 1.31 0.00 0.00 55.95 55.85 1nqt s SER 279 Cb 0.00 0.78 0.02 0.00 0.21 0.00 0.00 66.02 67.03 1nqt s SER 279 CO 0.00 -1.54 0.25 -0.63 0.41 0.00 0.00 173.24 171.73 1nqt s ILE 280 N -2.58 0.07 0.04 1.44 1.01 -0.59 -3.61 121.20 116.98 1nqt s ILE 280 Ca 0.21 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1nqt s ILE 280 Cb -0.03 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 1nqt s ILE 280 CO 0.15 -0.32 0.09 0.86 0.00 0.00 0.00 174.94 175.72 1nqt s TRP 281 N -1.53 0.23 0.00 3.97 -0.11 -0.56 -2.59 118.94 118.35 1nqt s TRP 281 Ca -0.13 -0.57 0.00 0.00 1.22 0.00 0.00 56.10 56.62 1nqt s TRP 281 Cb -0.05 -0.16 0.00 0.00 -1.50 0.00 0.00 33.47 31.76 1nqt s TRP 281 CO 0.02 -0.38 0.00 -1.71 -4.62 0.00 0.00 176.95 170.26 1nqt n ASN 282 N 0.63 0.00 0.00 5.86 2.85 -0.89 -1.77 115.26 121.94 1nqt n ASN 282 Ca -0.18 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.36 1nqt n ASN 282 Cb 0.59 0.00 0.38 0.00 1.24 0.00 0.00 39.78 41.99 1nqt n ASN 282 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1nqt n PRO 283 N 0.00 0.20 0.00 1.20 -0.02 -1.26 -2.09 135.00 133.03 1nqt n PRO 283 Ca 0.00 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 1nqt n PRO 283 Cb 0.00 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.27 1nqt n PRO 283 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nqt n ASP 284 N -1.30 1.11 0.00 2.55 10.43 -1.26 -5.00 116.55 123.08 1nqt n ASP 284 Ca 0.07 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.52 1nqt n ASP 284 Cb 0.12 0.23 0.00 0.00 1.84 0.00 0.00 41.12 43.31 1nqt n ASP 284 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nqt n GLY 285 N 1.38 2.72 2.85 0.44 0.00 -0.89 -5.06 105.19 106.64 1nqt n GLY 285 Ca 0.11 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1nqt n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqt s ILE 286 N -2.95 -0.03 -0.23 -0.61 1.01 -0.92 -4.84 121.20 112.64 1nqt s ILE 286 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 1nqt s ILE 286 Cb 0.00 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.35 1nqt s ILE 286 CO 0.00 0.04 0.40 -0.62 0.00 0.00 0.00 174.94 174.76 1nqt s ASP 287 N 0.52 6.38 0.19 3.58 2.15 -1.26 -4.52 116.67 123.71 1nqt s ASP 287 Ca -0.04 0.45 -0.20 0.00 0.43 0.00 0.00 52.55 53.18 1nqt s ASP 287 Cb -0.06 -2.23 0.14 0.00 -0.30 0.00 0.00 42.92 40.47 1nqt s ASP 287 CO -0.02 -0.12 1.58 -0.65 -0.17 0.00 0.00 175.17 175.80 1nqt h PRO 288 N 7.63 -0.13 0.36 4.34 0.11 -1.96 -1.32 132.00 141.03 1nqt h PRO 288 Ca -0.34 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1nqt h PRO 288 Cb 1.16 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1nqt h PRO 288 CO 0.70 -0.09 -0.28 -0.22 -0.21 0.00 0.00 178.00 177.90 1nqt h LYS 289 N -0.14 -0.59 0.00 1.05 1.63 -1.97 -0.95 116.57 115.60 1nqt h LYS 289 Ca 0.25 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1nqt h LYS 289 Cb 0.56 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1nqt h LYS 289 CO -0.72 -0.39 0.00 0.39 -3.45 0.00 0.00 179.45 175.28 1nqt n GLU 290 N -4.03 0.00 -0.05 1.90 1.02 -0.87 0.38 120.64 118.99 1nqt n GLU 290 Ca -0.07 0.71 0.25 0.00 -0.02 0.00 0.00 57.16 58.03 1nqt n GLU 290 Cb 0.27 -1.15 0.68 0.00 -0.02 0.00 0.00 31.44 31.21 1nqt n GLU 290 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nqt h LEU 291 N 0.00 0.00 0.10 -4.62 5.85 -1.30 0.33 115.31 115.68 1nqt h LEU 291 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1nqt h LEU 291 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1nqt h LEU 291 CO 0.00 0.00 -0.05 -0.08 -0.34 0.00 0.00 178.44 177.97 1nqt h GLU 292 N 0.00 -0.13 -1.00 1.25 4.81 0.14 -1.51 114.58 118.13 1nqt h GLU 292 Ca 0.33 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 1nqt h GLU 292 Cb 1.71 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 31.06 1nqt h GLU 292 CO -0.00 0.35 0.64 -0.44 -0.73 0.00 0.00 179.01 178.83 1nqt h ASP 293 N -0.90 1.02 -0.41 1.04 3.32 0.16 -0.74 116.42 119.91 1nqt h ASP 293 Ca -0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1nqt h ASP 293 Cb 0.54 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1nqt h ASP 293 CO 0.02 0.63 0.19 0.15 -1.72 0.00 0.00 179.24 178.52 1nqt h PHE 294 N 1.14 0.64 -0.23 4.55 3.57 -0.44 0.31 116.94 126.49 1nqt h PHE 294 Ca 0.44 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.74 1nqt h PHE 294 Cb 0.22 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1nqt h PHE 294 CO -0.00 0.50 -0.55 -0.22 -2.23 0.00 0.00 178.31 175.80 1nqt h LYS 295 N 0.65 0.77 0.00 1.11 3.64 -0.09 -3.23 116.57 119.42 1nqt h LYS 295 Ca 0.16 -0.53 -0.17 0.00 -1.27 0.00 0.00 60.65 58.83 1nqt h LYS 295 Cb 0.11 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1nqt h LYS 295 CO -0.02 1.15 -0.83 -0.07 -2.27 0.00 0.00 179.45 177.42 1nqt h LEU 296 N 0.51 0.00 -1.23 5.20 -0.00 -0.64 -3.22 115.31 115.93 1nqt h LEU 296 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1nqt h LEU 296 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 1nqt h LEU 296 CO 0.12 0.83 -0.26 1.56 -0.00 0.00 0.00 178.44 180.69 1nqt h GLN 297 N 0.00 0.00 -0.46 1.13 4.20 -0.49 -3.44 115.11 116.06 1nqt h GLN 297 Ca -0.01 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.88 1nqt h GLN 297 Cb 1.55 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 29.13 1nqt h GLN 297 CO 0.11 0.26 -0.06 -3.38 -0.67 0.00 0.00 178.83 175.08 1nqt s HIS 298 N -3.78 -0.82 0.00 2.96 -3.43 -1.21 -5.09 115.29 103.91 1nqt s HIS 298 Ca -0.00 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 1nqt s HIS 298 Cb 0.11 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 1nqt s HIS 298 CO 0.65 -0.47 0.00 0.41 -2.00 0.00 0.00 174.74 173.32 1nqt n GLY 299 N 5.28 0.42 3.56 -1.38 0.00 -1.25 -4.78 105.19 107.03 1nqt n GLY 299 Ca 0.04 0.62 -0.27 0.00 0.00 0.00 0.00 46.02 46.41 1nqt n GLY 299 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqt s SER 300 N -4.00 3.03 0.00 1.61 0.15 -1.26 -4.90 113.70 108.33 1nqt s SER 300 Ca 0.00 -1.66 0.30 0.00 0.70 0.00 0.00 55.95 55.29 1nqt s SER 300 Cb 0.00 0.48 1.47 0.00 -1.71 0.00 0.00 66.02 66.25 1nqt s SER 300 CO 0.00 -0.90 1.99 2.30 1.20 0.00 0.00 173.24 177.83 1nqt n ILE 301 N -0.97 0.00 -2.07 6.45 -5.35 -1.26 -4.54 119.36 111.63 1nqt n ILE 301 Ca -0.08 -0.06 -0.41 0.00 -0.27 0.00 0.00 62.75 61.93 1nqt n ILE 301 Cb 0.65 -0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 1nqt n ILE 301 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1nqt s LEU 302 N -2.27 4.40 0.00 7.28 1.02 -1.26 -2.94 118.68 124.91 1nqt s LEU 302 Ca 0.36 2.68 0.00 0.00 0.02 0.00 0.00 54.13 57.19 1nqt s LEU 302 Cb 0.21 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.78 1nqt s LEU 302 CO 0.42 -0.61 0.00 0.61 0.02 0.00 0.00 176.35 176.79 1nqt n GLY 303 N 1.39 0.60 3.74 -3.19 0.00 -1.26 -5.00 105.19 101.47 1nqt n GLY 303 Ca 0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1nqt n GLY 303 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqt s PHE 304 N -2.00 3.12 0.70 1.61 5.36 -1.15 -4.99 117.98 120.62 1nqt s PHE 304 Ca 0.00 1.12 -0.11 0.00 -0.96 0.00 0.00 56.93 56.98 1nqt s PHE 304 Cb 0.00 -3.73 0.01 0.00 -0.34 0.00 0.00 43.02 38.96 1nqt s PHE 304 CO 0.00 -2.31 1.06 -2.14 -1.46 0.00 0.00 175.22 170.37 1nqt s PRO 305 N -0.34 2.92 -0.03 10.12 0.02 -1.26 -3.68 135.00 142.76 1nqt s PRO 305 Ca 0.58 0.82 0.00 0.00 0.02 0.00 0.00 61.00 62.42 1nqt s PRO 305 Cb -0.40 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1nqt s PRO 305 CO 0.42 -1.08 0.00 1.63 -0.33 0.00 0.00 177.00 177.64 1nqt n LYS 306 N -3.10 -0.74 -3.64 5.54 5.02 -1.26 -4.95 118.16 115.04 1nqt n LYS 306 Ca 0.07 0.21 -0.09 0.00 -2.02 0.00 0.00 58.31 56.48 1nqt n LYS 306 Cb 0.54 -3.78 -0.07 0.00 -0.02 0.00 0.00 35.03 31.70 1nqt n LYS 306 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqt s ALA 307 N -1.65 -1.88 -0.04 7.82 0.00 -1.24 -4.90 121.76 119.86 1nqt s ALA 307 Ca 0.00 2.23 -0.20 0.00 0.00 0.00 0.00 51.96 53.99 1nqt s ALA 307 Cb 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 1nqt s ALA 307 CO 0.00 -0.35 0.58 0.21 0.00 0.00 0.00 175.76 176.20 1nqt s LYS 308 N 1.07 4.33 0.29 0.00 2.20 -0.73 -4.62 119.74 122.28 1nqt s LYS 308 Ca -0.05 0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 1nqt s LYS 308 Cb -0.05 -3.38 -0.11 0.00 -1.51 0.00 0.00 37.83 32.78 1nqt s LYS 308 CO -0.11 0.27 1.51 -2.14 -0.36 0.00 0.00 175.35 174.52 1nqt s PRO 309 N 0.17 4.18 0.36 4.03 0.02 -1.26 -1.49 135.00 141.02 1nqt s PRO 309 Ca 0.31 2.46 0.07 0.00 0.02 0.00 0.00 61.00 63.87 1nqt s PRO 309 Cb -0.17 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1nqt s PRO 309 CO 0.15 -0.52 0.36 -0.47 -0.33 0.00 0.00 177.00 176.20 1nqt s TYR 310 N -0.25 2.88 -0.12 6.54 5.04 -1.24 -4.88 117.35 125.33 1nqt s TYR 310 Ca 0.59 -0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.85 1nqt s TYR 310 Cb -0.45 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 39.86 1nqt s TYR 310 CO 0.49 0.03 0.00 -2.00 -1.34 0.00 0.00 175.55 172.73 1nqt s GLU 311 N -4.08 3.28 5.28 4.97 2.56 -1.26 -4.21 118.70 125.23 1nqt s GLU 311 Ca 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 54.99 1nqt s GLU 311 Cb -0.06 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.19 1nqt s GLU 311 CO 0.28 0.54 0.00 0.41 -0.56 0.00 0.00 175.26 175.93 1nqt n GLY 312 N 2.66 0.34 3.14 -1.50 0.00 -1.26 -4.83 105.19 103.73 1nqt n GLY 312 Ca -0.18 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1nqt n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqt s SER 313 N -4.00 2.69 0.00 1.61 1.04 -1.26 -4.41 113.70 109.37 1nqt s SER 313 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1nqt s SER 313 Cb 0.00 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1nqt s SER 313 CO 0.00 0.09 0.81 2.30 0.98 0.00 0.00 173.24 177.42 1nqt n ILE 314 N 3.80 1.29 -0.35 -1.02 -0.00 -1.26 -3.48 119.36 118.33 1nqt n ILE 314 Ca -0.20 0.44 0.28 0.00 -0.00 0.00 0.00 62.75 63.27 1nqt n ILE 314 Cb 0.52 -1.44 0.53 0.00 -0.00 0.00 0.00 39.64 39.25 1nqt n ILE 314 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1nqt h LEU 315 N 0.00 0.43 0.17 7.28 4.07 -1.96 -0.33 115.31 124.97 1nqt h LEU 315 Ca 0.00 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 1nqt h LEU 315 Cb 0.24 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1nqt h LEU 315 CO 0.00 -0.18 -0.08 -0.33 -1.08 0.00 0.00 178.44 176.76 1nqt h GLU 316 N 0.23 -0.22 0.00 1.13 5.08 -1.84 -3.40 114.58 115.55 1nqt h GLU 316 Ca 0.76 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.14 1nqt h GLU 316 Cb 1.93 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1nqt h GLU 316 CO -0.58 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 177.53 1nqt n ALA 317 N -2.66 0.00 -1.02 3.43 0.00 -0.14 -3.38 120.51 116.74 1nqt n ALA 317 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1nqt n ALA 317 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 1nqt n ALA 317 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nqt n ASP 318 N 0.00 -1.71 0.00 0.00 2.03 -1.26 -4.77 116.55 110.84 1nqt n ASP 318 Ca 0.00 0.71 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1nqt n ASP 318 Cb 0.00 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 1nqt n ASP 318 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqt h ASP 320 N 0.00 0.00 -3.33 0.00 3.45 -0.38 -3.22 116.42 112.93 1nqt h ASP 320 Ca 0.00 -0.28 -0.66 0.00 0.43 0.00 0.00 57.03 56.51 1nqt h ASP 320 Cb 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 38.60 1nqt h ASP 320 CO 0.00 1.01 -0.63 -0.63 -1.57 0.00 0.00 179.24 177.42 1nqt s ILE 321 N -2.19 4.24 -0.20 0.35 1.01 -0.62 -1.03 121.20 122.76 1nqt s ILE 321 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1nqt s ILE 321 Cb 0.03 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.71 1nqt s ILE 321 CO 0.37 0.57 -0.16 -0.22 0.00 0.00 0.00 174.94 175.50 1nqt s LEU 322 N -0.47 2.46 -0.26 2.97 1.98 0.05 -0.75 118.68 124.66 1nqt s LEU 322 Ca 0.08 -0.70 0.02 0.00 -2.89 0.00 0.00 54.13 50.64 1nqt s LEU 322 Cb -0.12 -1.54 0.07 0.00 0.66 0.00 0.00 46.19 45.26 1nqt s LEU 322 CO 0.02 -0.03 -0.06 0.27 -1.89 0.00 0.00 176.35 174.66 1nqt s ILE 323 N 1.30 1.88 -0.67 6.68 -4.36 0.15 -0.41 121.20 125.76 1nqt s ILE 323 Ca 0.03 -1.55 -0.27 0.00 -0.26 0.00 0.00 60.65 58.60 1nqt s ILE 323 Cb -0.14 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.46 1nqt s ILE 323 CO -0.10 -0.16 1.51 -2.84 0.24 0.00 0.00 174.94 173.59 1nqt s PRO 324 N 1.21 2.99 -0.40 0.37 0.02 -1.18 -0.88 135.00 137.13 1nqt s PRO 324 Ca -0.04 0.15 0.04 0.00 0.02 0.00 0.00 61.00 61.17 1nqt s PRO 324 Cb -0.19 -4.25 0.45 0.00 0.02 0.00 0.00 34.50 30.53 1nqt s PRO 324 CO -0.07 -2.34 1.43 0.00 -0.33 0.00 0.00 177.00 175.69 1nqt n ALA 325 N 10.64 5.40 -2.34 -1.55 0.00 0.70 0.30 120.51 133.67 1nqt n ALA 325 Ca 0.10 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1nqt n ALA 325 Cb 0.50 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1nqt n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt n ALA 326 N -0.76 0.00 -0.96 0.00 0.00 -1.24 -4.41 120.51 113.15 1nqt n ALA 326 Ca 0.49 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 1nqt n ALA 326 Cb 0.87 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.37 1nqt n ALA 326 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nqt n SER 327 N 0.00 -5.01 -3.79 0.00 3.41 -1.26 -4.70 113.62 102.27 1nqt n SER 327 Ca 0.00 0.18 -0.30 0.00 -0.26 0.00 0.00 58.87 58.49 1nqt n SER 327 Cb 0.00 -0.81 0.25 0.00 -0.26 0.00 0.00 64.21 63.39 1nqt n SER 327 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1nqt s GLU 328 N -2.29 -1.55 0.00 4.33 -1.05 -1.26 -4.57 118.70 112.30 1nqt s GLU 328 Ca 0.43 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1nqt s GLU 328 Cb -0.15 -1.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.99 1nqt s GLU 328 CO 0.78 -3.95 0.00 0.36 0.95 0.00 0.00 175.26 173.41 1nqt n LYS 329 N -4.95 0.00 0.00 -4.83 2.85 -0.50 -4.82 118.16 105.91 1nqt n LYS 329 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1nqt n LYS 329 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1nqt n LYS 329 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1nqt n GLN 330 N 0.48 3.59 -3.81 -1.58 6.02 0.56 -4.93 117.38 117.71 1nqt n GLN 330 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1nqt n GLN 330 Cb 0.00 -0.41 -0.13 0.00 1.02 0.00 0.00 30.24 30.72 1nqt n GLN 330 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nqt s LEU 331 N -1.26 3.51 0.00 1.08 1.02 -0.14 -5.02 118.68 117.87 1nqt s LEU 331 Ca 0.00 -2.93 0.05 0.00 0.02 0.00 0.00 54.13 51.27 1nqt s LEU 331 Cb 0.00 -1.31 0.12 0.00 0.02 0.00 0.00 46.19 45.02 1nqt s LEU 331 CO 0.00 -0.23 0.91 0.35 0.02 0.00 0.00 176.35 177.40 1nqt n THR 332 N 3.18 0.00 -0.24 5.49 -2.24 -1.26 -2.02 114.28 117.19 1nqt n THR 332 Ca 0.09 -1.77 0.10 0.00 -2.27 0.00 0.00 64.05 60.21 1nqt n THR 332 Cb 0.34 -0.70 0.38 0.00 -2.10 0.00 0.00 70.33 68.24 1nqt n THR 332 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1nqt h LYS 333 N 0.00 0.68 0.00 -0.78 3.64 -1.94 -0.38 116.57 117.79 1nqt h LYS 333 Ca -0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1nqt h LYS 333 Cb 1.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1nqt h LYS 333 CO 0.37 0.45 0.00 0.45 -2.27 0.00 0.00 179.45 178.45 1nqt n SER 334 N -4.53 0.00 0.01 4.20 2.88 -1.26 -3.72 113.62 111.20 1nqt n SER 334 Ca 0.15 0.01 0.22 0.00 -1.33 0.00 0.00 58.87 57.92 1nqt n SER 334 Cb 0.39 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.58 1nqt n SER 334 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nqt h ASN 335 N 0.00 0.00 -0.80 -3.46 -0.00 -1.96 -3.30 115.58 106.06 1nqt h ASN 335 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 56.30 56.58 1nqt h ASN 335 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 38.32 38.17 1nqt h ASN 335 CO 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 177.43 177.64 1nqt n ALA 336 N -2.46 0.61 0.17 4.14 0.00 -0.15 0.33 120.51 123.14 1nqt n ALA 336 Ca 0.11 0.84 0.06 0.00 0.00 0.00 0.00 53.44 54.44 1nqt n ALA 336 Cb 0.72 -0.72 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1nqt n ALA 336 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1nqt h PRO 337 N 0.00 0.00 -0.05 0.00 0.11 -1.78 -3.29 132.00 126.99 1nqt h PRO 337 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1nqt h PRO 337 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1nqt h PRO 337 CO -0.69 0.37 0.00 0.54 -0.21 0.00 0.00 178.00 178.01 1nqt n ARG 338 N -3.26 1.14 -2.57 1.05 1.74 0.15 -4.88 116.66 110.03 1nqt n ARG 338 Ca 0.02 -0.21 -0.35 0.00 -0.77 0.00 0.00 57.85 56.53 1nqt n ARG 338 Cb 0.63 -1.17 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 1nqt n ARG 338 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1nqt s VAL 339 N -1.94 3.81 -0.34 1.55 -7.23 -1.23 -4.71 120.40 110.31 1nqt s VAL 339 Ca 0.16 1.27 0.12 0.00 -1.81 0.00 0.00 61.98 61.71 1nqt s VAL 339 Cb 0.08 -3.59 -0.15 0.00 0.56 0.00 0.00 36.38 33.28 1nqt s VAL 339 CO 0.12 -0.11 0.41 0.29 -0.31 0.00 0.00 175.10 175.49 1nqt n LYS 340 N -0.45 2.08 -2.32 4.82 4.76 -1.22 -5.01 118.16 120.82 1nqt n LYS 340 Ca 0.07 -0.04 -0.35 0.00 -2.87 0.00 0.00 58.31 55.11 1nqt n LYS 340 Cb 0.51 -1.14 -0.01 0.00 -1.84 0.00 0.00 35.03 32.55 1nqt n LYS 340 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nqt s ALA 341 N -2.38 2.76 -2.02 7.82 0.00 -1.22 -4.53 121.76 122.18 1nqt s ALA 341 Ca 0.01 0.79 0.19 0.00 0.00 0.00 0.00 51.96 52.95 1nqt s ALA 341 Cb 0.08 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.93 1nqt s ALA 341 CO 0.49 -0.67 1.02 1.63 0.00 0.00 0.00 175.76 178.23 1nqt n LYS 342 N -1.15 1.60 -3.68 0.00 4.76 -0.20 -4.89 118.16 114.61 1nqt n LYS 342 Ca 0.11 -1.23 -0.15 0.00 -2.87 0.00 0.00 58.31 54.17 1nqt n LYS 342 Cb 0.51 -1.36 -0.14 0.00 -1.84 0.00 0.00 35.03 32.19 1nqt n LYS 342 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nqt s ILE 343 N -1.91 -0.26 -0.31 -0.18 1.01 -0.90 -2.55 121.20 116.10 1nqt s ILE 343 Ca 0.19 0.29 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 1nqt s ILE 343 Cb 0.16 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.29 1nqt s ILE 343 CO 0.37 0.12 0.10 -0.63 0.00 0.00 0.00 174.94 174.90 1nqt s ILE 344 N 2.08 4.03 -0.45 2.92 1.01 0.58 -0.77 121.20 130.61 1nqt s ILE 344 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1nqt s ILE 344 Cb -0.12 -3.14 0.08 0.00 0.01 0.00 0.00 42.46 39.30 1nqt s ILE 344 CO -0.07 -0.01 0.33 0.00 0.00 0.00 0.00 174.94 175.19 1nqt s ALA 345 N 1.49 3.42 -0.45 9.38 0.00 0.45 -0.45 121.76 135.60 1nqt s ALA 345 Ca 0.02 -2.17 -0.27 0.00 0.00 0.00 0.00 51.96 49.54 1nqt s ALA 345 Cb -0.18 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1nqt s ALA 345 CO 0.03 -1.71 2.16 -1.21 0.00 0.00 0.00 175.76 175.03 1nqt s GLU 346 N 1.51 2.57 0.00 0.00 2.02 -0.58 -3.10 118.70 121.13 1nqt s GLU 346 Ca 0.04 1.33 0.25 0.00 0.02 0.00 0.00 54.97 56.61 1nqt s GLU 346 Cb -0.24 -4.45 0.90 0.00 0.10 0.00 0.00 34.13 30.44 1nqt s GLU 346 CO 0.04 -2.75 1.65 0.41 0.02 0.00 0.00 175.26 174.62 1nqt n GLY 347 N 5.81 0.19 3.26 -1.39 0.00 0.15 -3.87 105.19 109.33 1nqt n GLY 347 Ca 0.30 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1nqt n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 348 N -1.92 1.55 -0.13 4.61 0.00 -1.01 -4.75 121.76 120.12 1nqt s ALA 348 Ca 0.36 -1.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.27 1nqt s ALA 348 Cb 0.20 1.34 -0.03 0.00 0.00 0.00 0.00 23.12 24.63 1nqt s ALA 348 CO 0.31 -0.58 0.71 -0.80 0.00 0.00 0.00 175.76 175.40 1nqt s ASN 349 N -3.27 6.90 -1.33 0.00 0.01 -1.26 -4.40 114.94 111.59 1nqt s ASN 349 Ca 0.39 1.09 -0.06 0.00 -0.71 0.00 0.00 52.86 53.57 1nqt s ASN 349 Cb 0.05 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.32 1nqt s ASN 349 CO 0.17 -0.23 1.04 0.61 -1.51 0.00 0.00 177.10 177.19 1nqt n GLY 350 N 3.38 -0.45 0.05 0.66 0.00 -1.26 -4.67 105.19 102.90 1nqt n GLY 350 Ca 0.00 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1nqt n GLY 350 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nqt n PRO 351 N -4.60 0.12 -4.94 1.61 -0.04 -1.26 -1.41 135.00 124.48 1nqt n PRO 351 Ca -0.12 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1nqt n PRO 351 Cb 0.60 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 1nqt n PRO 351 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1nqt s THR 352 N -3.05 1.96 0.64 0.52 -4.23 -1.26 -0.32 115.64 109.89 1nqt s THR 352 Ca 0.12 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1nqt s THR 352 Cb 0.16 -1.66 0.04 0.00 1.34 0.00 0.00 72.50 72.38 1nqt s THR 352 CO 0.57 0.38 0.92 0.42 -0.54 0.00 0.00 174.62 176.37 1nqt s THR 353 N -0.73 2.74 0.33 3.99 -4.23 -0.85 -4.91 115.64 111.98 1nqt s THR 353 Ca 0.10 -0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.34 1nqt s THR 353 Cb -0.09 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.80 1nqt s THR 353 CO 0.01 -0.12 1.89 -0.65 -0.54 0.00 0.00 174.62 175.22 1nqt h PRO 354 N -0.32 0.60 0.00 3.99 0.11 -1.98 -0.58 132.00 133.82 1nqt h PRO 354 Ca -0.44 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1nqt h PRO 354 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1nqt h PRO 354 CO 0.59 0.57 0.00 0.93 -0.21 0.00 0.00 178.00 179.87 1nqt h GLU 355 N 0.58 0.00 0.05 1.05 4.39 -1.93 -1.79 114.58 116.93 1nqt h GLU 355 Ca 0.13 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.51 1nqt h GLU 355 Cb 0.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1nqt h GLU 355 CO 0.00 0.00 -1.85 0.00 -1.16 0.00 0.00 179.01 176.00 1nqt n ALA 356 N -1.86 1.23 0.01 3.43 0.00 -0.48 -3.57 120.51 119.27 1nqt n ALA 356 Ca 0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 1nqt n ALA 356 Cb 0.24 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 1nqt n ALA 356 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nqt h ASP 357 N 0.03 0.04 -0.72 0.00 3.32 -0.34 0.17 116.42 118.93 1nqt h ASP 357 Ca -0.35 0.01 0.12 0.00 0.02 0.00 0.00 57.03 56.83 1nqt h ASP 357 Cb 2.03 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.49 1nqt h ASP 357 CO 0.08 0.04 0.30 0.50 -1.72 0.00 0.00 179.24 178.44 1nqt h LYS 358 N 0.08 0.47 0.19 3.56 3.64 -1.53 0.69 116.57 123.67 1nqt h LYS 358 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1nqt h LYS 358 Cb 0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1nqt h LYS 358 CO -0.03 0.31 -0.09 0.82 -2.27 0.00 0.00 179.45 178.19 1nqt h ILE 359 N 0.48 0.90 -0.82 2.00 5.03 -1.49 -1.26 117.51 122.35 1nqt h ILE 359 Ca 0.38 -0.52 0.09 0.00 -0.12 0.00 0.00 64.86 64.69 1nqt h ILE 359 Cb 0.51 1.21 -0.06 0.00 -3.03 0.00 0.00 36.82 35.45 1nqt h ILE 359 CO -0.35 0.12 0.54 -0.26 -0.68 0.00 0.00 178.15 177.51 1nqt h PHE 360 N -0.52 0.84 -0.65 1.37 0.04 0.11 -0.84 116.94 117.29 1nqt h PHE 360 Ca -0.03 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1nqt h PHE 360 Cb 0.39 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 1nqt h PHE 360 CO 0.01 0.39 0.10 1.25 -0.60 0.00 0.00 178.31 179.46 1nqt h LEU 361 N 0.78 1.04 -1.47 1.54 5.85 -0.64 -0.65 115.31 121.76 1nqt h LEU 361 Ca 0.38 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1nqt h LEU 361 Cb 0.42 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1nqt h LEU 361 CO -0.15 1.04 0.10 -0.08 -0.34 0.00 0.00 178.44 179.01 1nqt h GLU 362 N 1.00 0.45 -1.53 1.25 4.57 0.04 -2.77 114.58 117.59 1nqt h GLU 362 Ca 0.20 -0.06 -0.66 0.00 -1.18 0.00 0.00 59.36 57.66 1nqt h GLU 362 Cb 0.44 -0.08 -0.35 0.00 -0.16 0.00 0.00 28.75 28.60 1nqt h GLU 362 CO 0.01 0.40 0.11 2.89 -1.18 0.00 0.00 179.01 181.24 1nqt n ARG 363 N -4.38 3.12 -2.09 1.92 1.85 -0.78 -4.99 116.66 111.30 1nqt n ARG 363 Ca 0.02 -3.96 -0.15 0.00 -1.00 0.00 0.00 57.85 52.76 1nqt n ARG 363 Cb 0.16 -2.27 0.01 0.00 -1.05 0.00 0.00 32.46 29.31 1nqt n ARG 363 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nqt n ASN 364 N -0.59 -2.06 -3.87 2.89 3.02 -0.96 -4.95 115.26 108.75 1nqt n ASN 364 Ca 0.48 -0.10 -0.26 0.00 -0.03 0.00 0.00 54.58 54.67 1nqt n ASN 364 Cb 0.55 -0.61 -0.17 0.00 -0.61 0.00 0.00 39.78 38.94 1nqt n ASN 364 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nqt s ILE 365 N -0.78 0.87 -0.23 2.41 -1.09 -0.31 -4.93 121.20 117.16 1nqt s ILE 365 Ca 0.13 -0.24 -0.26 0.00 -2.23 0.00 0.00 60.65 58.05 1nqt s ILE 365 Cb -0.01 -0.96 -0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1nqt s ILE 365 CO 0.34 0.30 0.89 -0.32 -1.23 0.00 0.00 174.94 174.92 1nqt s MET 366 N 1.76 4.22 -0.22 2.79 -2.45 -1.06 -4.47 119.30 119.88 1nqt s MET 366 Ca 0.04 1.08 -0.05 0.00 -1.25 0.00 0.00 55.69 55.51 1nqt s MET 366 Cb -0.13 -3.63 -0.01 0.00 1.25 0.00 0.00 34.83 32.30 1nqt s MET 366 CO -0.07 -0.52 -0.02 0.08 1.05 0.00 0.00 175.02 175.54 1nqt s VAL 367 N 2.83 3.61 -0.35 10.11 1.01 -1.26 -0.31 120.40 136.06 1nqt s VAL 367 Ca 0.38 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1nqt s VAL 367 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1nqt s VAL 367 CO 0.08 0.41 0.44 -0.63 0.00 0.00 0.00 175.10 175.39 1nqt s ILE 368 N 1.43 5.09 0.04 2.22 1.01 0.40 -4.31 121.20 127.08 1nqt s ILE 368 Ca 0.05 0.17 -0.36 0.00 0.00 0.00 0.00 60.65 60.51 1nqt s ILE 368 Cb -0.14 -3.90 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 1nqt s ILE 368 CO -0.01 -0.17 1.54 -2.65 0.00 0.00 0.00 174.94 173.65 1nqt n PRO 369 N 5.56 1.60 -0.27 2.79 -0.02 -1.26 -1.53 135.00 141.87 1nqt n PRO 369 Ca -0.07 0.58 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1nqt n PRO 369 Cb 0.49 -2.29 0.21 0.00 -0.02 0.00 0.00 33.50 31.89 1nqt n PRO 369 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nqt h ASP 370 N 5.96 0.32 -0.96 2.55 -0.00 -1.79 0.35 116.42 122.85 1nqt h ASP 370 Ca -0.47 0.11 0.27 0.00 -0.00 0.00 0.00 57.03 56.95 1nqt h ASP 370 Cb 1.30 0.08 -0.18 0.00 -0.00 0.00 0.00 39.33 40.54 1nqt h ASP 370 CO 0.86 0.10 0.08 0.25 -0.00 0.00 0.00 179.24 180.54 1nqt h LEU 371 N 0.46 -0.37 0.00 0.15 5.85 -1.93 -2.68 115.31 116.80 1nqt h LEU 371 Ca 0.45 0.27 -0.10 0.00 0.84 0.00 0.00 57.88 59.33 1nqt h LEU 371 Cb 0.70 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1nqt h LEU 371 CO -0.42 -0.33 -1.34 0.00 -0.34 0.00 0.00 178.44 176.01 1nqt n TYR 372 N -5.44 0.02 -0.08 1.25 4.19 0.57 -4.54 117.16 113.13 1nqt n TYR 372 Ca 0.23 0.01 -0.06 0.00 3.31 0.00 0.00 57.90 61.40 1nqt n TYR 372 Cb 0.77 -0.62 -0.04 0.00 0.49 0.00 0.00 39.34 39.94 1nqt n TYR 372 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1nqt h LEU 373 N -1.00 -0.80 -2.36 2.98 5.85 -0.49 -0.44 115.31 119.06 1nqt h LEU 373 Ca -0.16 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1nqt h LEU 373 Cb 1.13 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1nqt h LEU 373 CO -0.10 -0.16 0.00 -3.20 -0.34 0.00 0.00 178.44 174.65 1nqt n ASN 374 N -3.83 1.94 -0.87 1.25 5.15 -1.01 -3.46 115.26 114.42 1nqt n ASN 374 Ca -0.01 -1.25 0.09 0.00 -0.60 0.00 0.00 54.58 52.81 1nqt n ASN 374 Cb 0.14 -0.35 0.16 0.00 -0.53 0.00 0.00 39.78 39.19 1nqt n ASN 374 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nqt n ALA 375 N 0.97 2.38 -0.21 5.20 0.00 -0.17 -4.49 120.51 124.20 1nqt n ALA 375 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.49 1nqt n ALA 375 Cb 0.27 -0.65 0.07 0.00 0.00 0.00 0.00 19.45 19.14 1nqt n ALA 375 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nqt h GLY 376 N 3.42 0.89 0.54 0.00 0.00 -1.77 -2.34 103.07 103.81 1nqt h GLY 376 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1nqt h GLY 376 CO 0.00 0.21 -0.24 -1.33 0.00 0.00 0.00 176.54 175.18 1nqt h GLY 377 N 0.70 -0.40 0.18 4.60 0.00 -1.79 -2.06 103.07 104.31 1nqt h GLY 377 Ca 0.26 0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.87 1nqt h GLY 377 CO -0.13 -0.20 -0.47 -2.08 0.00 0.00 0.00 176.54 173.65 1nqt h VAL 378 N -0.41 0.00 -0.74 4.60 2.07 -1.80 -0.52 116.25 119.44 1nqt h VAL 378 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1nqt h VAL 378 Cb 0.45 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 1nqt h VAL 378 CO -0.16 0.00 -0.44 0.41 0.02 0.00 0.00 177.57 177.40 1nqt n THR 379 N -5.18 -0.51 -0.31 2.57 -1.04 -0.90 0.45 114.28 109.37 1nqt n THR 379 Ca -0.08 1.86 -0.02 0.00 -2.04 0.00 0.00 64.05 63.77 1nqt n THR 379 Cb 0.38 -2.31 0.13 0.00 -1.82 0.00 0.00 70.33 66.71 1nqt n THR 379 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nqt h VAL 380 N 0.00 1.25 -0.43 12.58 2.07 -0.99 -1.67 116.25 129.05 1nqt h VAL 380 Ca 0.12 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.19 1nqt h VAL 380 Cb 0.30 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1nqt h VAL 380 CO -0.70 0.26 0.30 0.77 0.02 0.00 0.00 177.57 178.23 1nqt h SER 381 N 1.22 0.09 0.14 0.57 4.64 0.17 0.17 113.55 120.54 1nqt h SER 381 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1nqt h SER 381 Cb -0.03 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1nqt h SER 381 CO -0.06 0.05 -0.07 0.22 -0.87 0.00 0.00 176.83 176.11 1nqt h TYR 382 N 0.10 -0.17 -0.59 4.77 -0.00 -0.22 -1.13 116.97 119.73 1nqt h TYR 382 Ca 0.20 -0.00 0.09 0.00 -0.00 0.00 0.00 58.73 59.02 1nqt h TYR 382 Cb 0.68 0.06 -0.07 0.00 -0.00 0.00 0.00 36.73 37.39 1nqt h TYR 382 CO -0.00 -0.00 0.22 0.74 -0.00 0.00 0.00 178.16 179.11 1nqt h PHE 383 N -0.30 0.37 0.12 -3.82 0.05 -0.56 -1.59 116.94 111.22 1nqt h PHE 383 Ca -0.02 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1nqt h PHE 383 Cb 0.24 -0.08 -0.02 0.00 2.00 0.00 0.00 35.95 38.10 1nqt h PHE 383 CO -0.03 0.09 -0.23 1.49 -0.18 0.00 0.00 178.31 179.45 1nqt h GLU 384 N 0.39 -0.36 -0.29 1.51 4.81 -0.73 0.18 114.58 120.08 1nqt h GLU 384 Ca 0.30 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.58 1nqt h GLU 384 Cb 0.37 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1nqt h GLU 384 CO -0.30 -0.24 -0.17 1.87 -0.73 0.00 0.00 179.01 179.43 1nqt n TRP 385 N -3.74 -0.13 0.00 0.92 -0.00 -0.46 0.50 117.44 114.53 1nqt n TRP 385 Ca -0.04 0.37 0.00 0.00 -0.00 0.00 0.00 57.50 57.82 1nqt n TRP 385 Cb 0.19 -0.43 0.00 0.00 -0.00 0.00 0.00 31.31 31.07 1nqt n TRP 385 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1nqt n LEU 386 N -3.84 0.00 -0.38 5.87 4.77 -0.65 -0.93 117.00 121.84 1nqt n LEU 386 Ca 0.01 0.95 0.29 0.00 -0.03 0.00 0.00 56.01 57.22 1nqt n LEU 386 Cb 0.08 -0.45 0.46 0.00 -2.33 0.00 0.00 43.42 41.18 1nqt n LEU 386 CO -0.05 -0.45 0.84 1.17 -1.33 0.00 0.00 177.39 177.58 1nqt n LYS 387 N -2.44 -0.01 0.02 3.23 4.81 0.18 0.46 118.16 124.42 1nqt n LYS 387 Ca 0.00 0.69 -0.19 0.00 -0.87 0.00 0.00 58.31 57.95 1nqt n LYS 387 Cb 0.00 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.41 1nqt n LYS 387 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1nqt h ASN 388 N 0.00 0.42 -0.43 3.14 2.35 0.03 -2.78 115.58 118.30 1nqt h ASN 388 Ca 0.55 -0.91 -0.04 0.00 -0.55 0.00 0.00 56.30 55.36 1nqt h ASN 388 Cb 2.07 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 40.28 1nqt h ASN 388 CO -0.11 1.29 0.15 -0.07 -1.65 0.00 0.00 177.43 177.04 1nqt h LEU 389 N -0.39 0.67 -0.02 1.61 3.38 1.14 -2.80 115.31 118.89 1nqt h LEU 389 Ca -0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1nqt h LEU 389 Cb 1.47 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1nqt h LEU 389 CO 0.12 0.64 0.00 0.59 0.09 0.00 0.00 178.44 179.89 1nqt n ASN 390 N -4.31 0.69 -1.83 -0.43 3.02 0.48 -4.92 115.26 107.95 1nqt n ASN 390 Ca 0.04 0.57 -0.18 0.00 -0.03 0.00 0.00 54.58 54.97 1nqt n ASN 390 Cb 0.19 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 38.56 1nqt n ASN 390 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nqt n HIS 391 N -2.15 -0.47 -3.76 3.10 8.25 -1.05 -4.95 115.22 114.19 1nqt n HIS 391 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1nqt n HIS 391 Cb 0.41 -3.31 -0.10 0.00 1.12 0.00 0.00 29.99 28.11 1nqt n HIS 391 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nqt s VAL 392 N -2.67 0.02 0.14 1.59 1.01 -1.24 -5.08 120.40 114.18 1nqt s VAL 392 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1nqt s VAL 392 Cb 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 1nqt s VAL 392 CO 0.00 -0.11 1.16 -0.94 0.00 0.00 0.00 175.10 175.22 1nqt s SER 393 N -0.42 7.14 0.05 3.32 1.04 -1.26 -4.82 113.70 118.76 1nqt s SER 393 Ca -0.05 2.12 -0.38 0.00 0.48 0.00 0.00 55.95 58.12 1nqt s SER 393 Cb -0.04 -2.60 -0.17 0.00 0.10 0.00 0.00 66.02 63.31 1nqt s SER 393 CO 0.02 -0.35 1.30 -1.22 0.98 0.00 0.00 173.24 173.97 1nqt n TYR 394 N 2.90 1.36 -0.99 5.02 4.02 -1.26 -1.49 117.16 126.73 1nqt n TYR 394 Ca 0.05 0.72 0.00 0.00 -0.01 0.00 0.00 57.90 58.66 1nqt n TYR 394 Cb 0.46 -2.29 0.00 0.00 -0.02 0.00 0.00 39.34 37.49 1nqt n TYR 394 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqt n GLY 395 N 2.38 0.87 0.34 2.72 0.00 -1.26 -4.08 105.19 106.17 1nqt n GLY 395 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1nqt n GLY 395 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 396 N 2.50 1.07 -0.65 1.61 1.12 -1.64 -1.66 114.38 116.73 1nqt h ARG 396 Ca 0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1nqt h ARG 396 Cb 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 29.72 1nqt h ARG 396 CO 0.00 0.71 0.00 1.28 -3.11 0.00 0.00 179.97 178.85 1nqt n LEU 397 N -4.54 4.58 0.00 3.80 4.32 -1.26 -4.58 117.00 119.32 1nqt n LEU 397 Ca 0.13 -2.31 0.00 0.00 -0.02 0.00 0.00 56.01 53.80 1nqt n LEU 397 Cb 0.13 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1nqt n LEU 397 CO 0.33 0.76 -0.14 0.35 -1.22 0.00 0.00 177.39 177.47 1nqt n THR 398 N 1.04 0.00 -0.35 -5.08 -2.24 -0.89 -4.75 114.28 102.01 1nqt n THR 398 Ca 0.25 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.96 1nqt n THR 398 Cb 0.87 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1nqt n THR 398 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1nqt h PHE 399 N 0.00 -1.43 0.12 4.78 0.05 -1.57 0.29 116.94 119.18 1nqt h PHE 399 Ca 0.00 0.11 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1nqt h PHE 399 Cb 0.27 0.75 0.00 0.00 2.00 0.00 0.00 35.95 38.97 1nqt h PHE 399 CO 0.00 -0.40 -0.06 -0.22 -0.18 0.00 0.00 178.31 177.45 1nqt h LYS 400 N -0.06 -0.16 -0.51 1.51 1.63 -1.88 0.14 116.57 117.23 1nqt h LYS 400 Ca 0.24 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.15 1nqt h LYS 400 Cb 0.52 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.10 1nqt h LYS 400 CO -0.89 -0.11 -0.09 -0.92 -3.45 0.00 0.00 179.45 173.99 1nqt h TYR 401 N -0.17 -0.19 -0.30 1.91 3.20 -1.55 -1.66 116.97 118.21 1nqt h TYR 401 Ca -0.02 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1nqt h TYR 401 Cb 0.13 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1nqt h TYR 401 CO -0.07 -0.19 -0.19 0.93 -1.64 0.00 0.00 178.16 177.00 1nqt h GLU 402 N 0.04 0.54 -0.25 1.82 4.39 0.13 -1.44 114.58 119.81 1nqt h GLU 402 Ca 0.25 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.78 1nqt h GLU 402 Cb 0.39 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1nqt h GLU 402 CO -0.50 0.70 0.15 -0.09 -1.16 0.00 0.00 179.01 178.12 1nqt h ARG 403 N 0.49 0.30 -0.22 2.33 2.43 0.14 -1.86 114.38 117.99 1nqt h ARG 403 Ca 0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1nqt h ARG 403 Cb 0.60 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1nqt h ARG 403 CO 0.04 0.20 0.13 -0.44 -1.51 0.00 0.00 179.97 178.39 1nqt h ASP 404 N 0.31 0.27 -0.02 -3.80 3.45 -1.08 -1.06 116.42 114.49 1nqt h ASP 404 Ca 0.10 -0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.50 1nqt h ASP 404 Cb -0.01 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1nqt h ASP 404 CO -0.04 0.26 0.04 0.28 -1.57 0.00 0.00 179.24 178.20 1nqt h SER 405 N 0.25 0.00 0.00 6.45 0.02 -1.08 -0.36 113.55 118.84 1nqt h SER 405 Ca 0.08 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1nqt h SER 405 Cb 0.04 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.59 1nqt h SER 405 CO -0.01 0.00 -0.25 0.78 -1.14 0.00 0.00 176.83 176.21 1nqt h ASN 406 N 0.00 0.21 0.40 3.07 -0.26 -0.38 -2.05 115.58 116.58 1nqt h ASN 406 Ca 0.01 -0.78 -0.01 0.00 -0.56 0.00 0.00 56.30 54.95 1nqt h ASN 406 Cb 0.09 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1nqt h ASN 406 CO -0.00 0.97 -0.23 1.88 -1.06 0.00 0.00 177.43 178.99 1nqt h TYR 407 N -0.52 -0.61 -0.69 1.19 0.05 -0.66 -1.03 116.97 114.71 1nqt h TYR 407 Ca -0.03 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.88 1nqt h TYR 407 Cb 1.01 0.22 -0.13 0.00 1.01 0.00 0.00 36.73 38.84 1nqt h TYR 407 CO 0.18 -0.36 -0.15 0.45 -1.05 0.00 0.00 178.16 177.23 1nqt h HIS 408 N -0.60 -0.32 0.10 4.88 3.86 -1.16 0.50 115.15 122.42 1nqt h HIS 408 Ca -0.04 0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1nqt h HIS 408 Cb 0.49 0.25 -0.05 0.00 1.06 0.00 0.00 27.41 29.16 1nqt h HIS 408 CO -0.09 -0.28 -0.46 -0.07 0.86 0.00 0.00 177.93 177.90 1nqt h LEU 409 N 0.01 -1.36 -1.06 2.43 -0.00 -0.84 -0.63 115.31 113.86 1nqt h LEU 409 Ca 0.34 0.15 0.05 0.00 -0.00 0.00 0.00 57.88 58.42 1nqt h LEU 409 Cb 0.52 0.51 -0.06 0.00 -0.00 0.00 0.00 40.66 41.63 1nqt h LEU 409 CO -0.69 -0.51 0.63 -0.07 -0.00 0.00 0.00 178.44 177.80 1nqt h LEU 410 N -0.68 1.02 -1.58 1.67 3.38 0.24 -2.16 115.31 117.20 1nqt h LEU 410 Ca 0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1nqt h LEU 410 Cb 0.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1nqt h LEU 410 CO -0.27 0.68 -0.02 0.24 0.09 0.00 0.00 178.44 179.16 1nqt h MET 411 N 1.17 0.24 -0.05 1.13 2.86 0.47 -1.71 114.93 119.04 1nqt h MET 411 Ca 0.40 -0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.76 1nqt h MET 411 Cb 0.09 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.72 1nqt h MET 411 CO -0.14 0.28 -0.91 0.77 1.06 0.00 0.00 176.91 177.97 1nqt h SER 412 N 0.23 0.89 0.67 1.22 0.02 -0.50 -1.90 113.55 114.18 1nqt h SER 412 Ca 0.06 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1nqt h SER 412 Cb 0.20 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1nqt h SER 412 CO 0.01 1.47 0.00 0.58 -1.14 0.00 0.00 176.83 177.74 1nqt h VAL 413 N 0.39 0.00 0.00 2.27 2.07 -1.01 0.88 116.25 120.85 1nqt h VAL 413 Ca -0.10 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1nqt h VAL 413 Cb 1.56 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1nqt h VAL 413 CO 0.18 0.00 -0.39 -0.61 0.02 0.00 0.00 177.57 176.78 1nqt h GLN 414 N 0.00 0.00 -0.39 1.57 4.15 -1.21 -3.03 115.11 116.20 1nqt h GLN 414 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1nqt h GLN 414 Cb 0.33 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 1nqt h GLN 414 CO 0.00 0.42 0.08 1.49 -1.93 0.00 0.00 178.83 178.89 1nqt h GLU 415 N -1.00 0.20 -0.00 1.69 4.81 -1.26 0.30 114.58 119.31 1nqt h GLU 415 Ca -0.07 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1nqt h GLU 415 Cb 0.62 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1nqt h GLU 415 CO -0.04 0.13 -0.04 0.77 -0.73 0.00 0.00 179.01 179.09 1nqt h SER 416 N 0.20 -0.12 0.08 1.04 0.02 -0.99 -2.51 113.55 111.26 1nqt h SER 416 Ca 0.19 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1nqt h SER 416 Cb 0.23 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1nqt h SER 416 CO -0.25 -0.07 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.13 1nqt h LEU 417 N -0.08 -0.48 0.00 5.07 4.07 -1.20 -1.48 115.31 121.22 1nqt h LEU 417 Ca 0.02 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1nqt h LEU 417 Cb 0.10 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1nqt h LEU 417 CO -0.05 -0.24 0.05 -0.62 -1.08 0.00 0.00 178.44 176.50 1nqt n GLU 418 N -5.30 0.00 0.13 1.13 1.02 0.96 -0.70 120.64 117.88 1nqt n GLU 418 Ca -0.06 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.50 1nqt n GLU 418 Cb 0.22 -1.55 0.19 0.00 -0.02 0.00 0.00 31.44 30.27 1nqt n GLU 418 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1nqt h ARG 419 N 0.00 0.00 -1.16 3.49 2.43 -0.83 -3.26 114.38 115.05 1nqt h ARG 419 Ca 0.00 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.55 1nqt h ARG 419 Cb 0.11 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.40 1nqt h ARG 419 CO 0.00 0.00 0.80 1.17 -1.51 0.00 0.00 179.97 180.43 1nqt n LYS 420 N -2.58 2.52 0.00 0.20 4.81 0.13 -4.68 118.16 118.56 1nqt n LYS 420 Ca 0.03 -2.97 0.00 0.00 -0.87 0.00 0.00 58.31 54.51 1nqt n LYS 420 Cb 0.49 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1nqt n LYS 420 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nqt n PHE 421 N -0.64 0.00 -0.94 5.64 -0.00 -1.23 -5.09 117.46 115.20 1nqt n PHE 421 Ca 0.56 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.83 1nqt n PHE 421 Cb 0.62 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.98 1nqt n PHE 421 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 422 N 0.00 -0.31 3.64 7.13 0.00 -1.26 -4.76 105.19 109.63 1nqt n GLY 422 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 1nqt n GLY 422 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqt s LYS 423 N 4.85 0.13 -0.49 1.61 1.02 -1.26 -5.05 119.74 120.54 1nqt s LYS 423 Ca 0.84 0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.97 1nqt s LYS 423 Cb -0.63 0.06 0.42 0.00 -0.52 0.00 0.00 37.83 37.17 1nqt s LYS 423 CO 0.34 -0.02 1.40 -2.39 -0.92 0.00 0.00 175.35 173.75 1nqt n HIS 424 N 1.29 3.14 0.00 3.18 1.44 -1.26 -4.56 115.22 118.45 1nqt n HIS 424 Ca -0.08 -2.72 0.00 0.00 -2.01 0.00 0.00 57.72 52.91 1nqt n HIS 424 Cb 0.57 -0.50 0.00 0.00 0.12 0.00 0.00 29.99 30.18 1nqt n HIS 424 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nqt n GLY 425 N -0.60 -0.02 0.20 -1.39 0.00 -1.26 -5.06 105.19 97.06 1nqt n GLY 425 Ca 0.46 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 1nqt n GLY 425 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nqt h GLY 426 N 0.00 0.75 -7.12 -0.02 0.00 -1.93 -3.43 103.07 91.33 1nqt h GLY 426 Ca 0.00 -1.01 -0.66 0.00 0.00 0.00 0.00 47.33 45.66 1nqt h GLY 426 CO 0.00 0.90 -0.68 -1.59 0.00 0.00 0.00 176.54 175.17 1nqt s THR 427 N -3.82 3.68 -0.91 4.70 2.01 -1.26 -5.06 115.64 114.98 1nqt s THR 427 Ca -0.12 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 1nqt s THR 427 Cb 0.07 -2.77 0.23 0.00 0.01 0.00 0.00 72.50 70.05 1nqt s THR 427 CO 0.86 0.28 0.84 0.27 -0.69 0.00 0.00 174.62 176.19 1nqt s ILE 428 N 1.50 5.32 0.02 1.82 -0.00 -1.26 -4.77 121.20 123.84 1nqt s ILE 428 Ca 0.04 -3.06 -0.17 0.00 -0.00 0.00 0.00 60.65 57.46 1nqt s ILE 428 Cb -0.16 -4.27 -0.34 0.00 -0.00 0.00 0.00 42.46 37.69 1nqt s ILE 428 CO -0.00 -1.07 1.00 -0.65 -0.00 0.00 0.00 174.94 174.22 1nqt h PRO 429 N 7.05 0.53 0.00 0.37 0.11 -1.89 -3.35 132.00 134.81 1nqt h PRO 429 Ca 0.12 -0.87 0.00 0.00 0.11 0.00 0.00 66.00 65.37 1nqt h PRO 429 Cb 0.94 0.32 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1nqt h PRO 429 CO 0.85 1.41 0.12 0.44 -0.21 0.00 0.00 178.00 180.60 1nqt n ILE 430 N -3.79 0.00 -3.43 4.15 -5.35 -1.25 -4.31 119.36 105.38 1nqt n ILE 430 Ca -0.16 0.12 -0.41 0.00 -0.27 0.00 0.00 62.75 62.03 1nqt n ILE 430 Cb 1.05 -0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 38.28 1nqt n ILE 430 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nqt s VAL 431 N -0.69 5.19 0.50 7.28 0.11 -1.26 -4.90 120.40 126.63 1nqt s VAL 431 Ca 0.00 0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 58.87 1nqt s VAL 431 Cb 0.00 -3.79 -0.08 0.00 -1.53 0.00 0.00 36.38 30.98 1nqt s VAL 431 CO 0.00 -0.06 1.04 -2.84 -3.33 0.00 0.00 175.10 169.91 1nqt s PRO 432 N 1.96 3.76 1.06 1.54 0.02 -1.26 -4.99 135.00 137.09 1nqt s PRO 432 Ca 0.11 1.35 -0.18 0.00 0.02 0.00 0.00 61.00 62.29 1nqt s PRO 432 Cb -0.17 -2.09 0.05 0.00 0.02 0.00 0.00 34.50 32.31 1nqt s PRO 432 CO 0.11 -0.46 -0.08 0.25 -0.33 0.00 0.00 177.00 176.49 1nqt n THR 433 N -1.06 0.00 0.48 0.99 -2.24 -1.26 -4.59 114.28 106.59 1nqt n THR 433 Ca 0.09 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 1nqt n THR 433 Cb 0.53 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1nqt n THR 433 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqt h ALA 434 N -1.79 -1.33 -0.65 6.98 0.00 -2.00 -2.54 119.26 117.93 1nqt h ALA 434 Ca -0.49 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.27 1nqt h ALA 434 Cb 1.34 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 19.48 1nqt h ALA 434 CO 0.35 -1.24 -0.28 0.93 0.00 0.00 0.00 179.25 179.02 1nqt h GLU 435 N -1.21 -0.09 -0.04 0.00 3.07 -1.98 -1.06 114.58 113.28 1nqt h GLU 435 Ca -0.12 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1nqt h GLU 435 Cb 0.93 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.81 1nqt h GLU 435 CO 0.20 -0.06 -0.43 0.35 -1.40 0.00 0.00 179.01 177.67 1nqt h PHE 436 N -0.09 -1.27 0.00 4.33 -0.00 -1.87 0.25 116.94 118.29 1nqt h PHE 436 Ca 0.28 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 58.29 1nqt h PHE 436 Cb 0.54 0.56 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 1nqt h PHE 436 CO -0.62 -0.45 0.00 0.94 -0.00 0.00 0.00 178.31 178.18 1nqt n GLN 437 N -4.84 0.00 0.09 1.11 -0.06 -0.50 0.34 117.38 113.52 1nqt n GLN 437 Ca -0.06 0.68 0.02 0.00 -2.00 0.00 0.00 57.00 55.65 1nqt n GLN 437 Cb 0.31 -1.10 0.10 0.00 -4.06 0.00 0.00 30.24 25.49 1nqt n GLN 437 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1nqt n ASP 438 N -2.10 0.10 -0.07 1.69 4.64 -0.61 0.95 116.55 121.14 1nqt n ASP 438 Ca 0.00 0.30 -0.22 0.00 -1.38 0.00 0.00 54.79 53.48 1nqt n ASP 438 Cb 0.00 -0.21 -0.12 0.00 -1.04 0.00 0.00 41.12 39.75 1nqt n ASP 438 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1nqt n ARG 439 N -1.58 0.64 0.01 -0.67 0.63 1.05 -3.77 116.66 112.97 1nqt n ARG 439 Ca -0.00 0.41 -0.10 0.00 -0.92 0.00 0.00 57.85 57.24 1nqt n ARG 439 Cb 0.45 -1.69 0.04 0.00 0.45 0.00 0.00 32.46 31.71 1nqt n ARG 439 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1nqt h ILE 440 N -0.59 1.33 -0.00 5.15 2.04 0.44 -2.89 117.51 122.99 1nqt h ILE 440 Ca -0.43 -1.90 0.03 0.00 1.00 0.00 0.00 64.86 63.56 1nqt h ILE 440 Cb 1.62 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 39.52 1nqt h ILE 440 CO -0.13 0.59 -0.37 -1.28 0.00 0.00 0.00 178.15 176.96 1nqt h SER 441 N 0.40 -1.11 -1.52 1.72 0.87 -0.86 -3.12 113.55 109.93 1nqt h SER 441 Ca -0.01 0.14 -0.71 0.00 -1.23 0.00 0.00 61.79 59.99 1nqt h SER 441 Cb 1.18 0.44 -0.30 0.00 -0.44 0.00 0.00 62.40 63.28 1nqt h SER 441 CO 0.11 -0.42 0.72 0.61 -0.53 0.00 0.00 176.83 177.32 1nqt n GLY 442 N -1.43 5.75 3.69 5.77 0.00 -1.23 -5.01 105.19 112.72 1nqt n GLY 442 Ca -0.05 -2.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.09 1nqt n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 443 N -3.91 3.44 0.28 4.61 0.00 -1.09 -4.95 121.76 120.13 1nqt s ALA 443 Ca 0.56 0.45 0.05 0.00 0.00 0.00 0.00 51.96 53.02 1nqt s ALA 443 Cb 0.46 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 1nqt s ALA 443 CO -0.22 -0.67 0.20 -1.13 0.00 0.00 0.00 175.76 173.94 1nqt n SER 444 N 5.10 -0.09 -0.34 0.00 3.41 -1.26 -5.04 113.62 115.40 1nqt n SER 444 Ca 0.10 -2.75 -0.03 0.00 -0.26 0.00 0.00 58.87 55.93 1nqt n SER 444 Cb 0.48 1.20 0.09 0.00 -0.26 0.00 0.00 64.21 65.72 1nqt n SER 444 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1nqt h GLU 445 N 0.00 1.21 -0.65 4.33 4.81 -1.94 -2.23 114.58 120.10 1nqt h GLU 445 Ca -0.21 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1nqt h GLU 445 Cb 0.96 -0.27 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 1nqt h GLU 445 CO 0.31 0.81 0.24 1.57 -0.73 0.00 0.00 179.01 181.21 1nqt h LYS 446 N 1.25 0.40 -0.28 1.92 2.10 -1.92 0.93 116.57 120.98 1nqt h LYS 446 Ca 0.34 -0.02 0.05 0.00 -2.00 0.00 0.00 60.65 59.02 1nqt h LYS 446 Cb -0.14 -0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 31.05 1nqt h LYS 446 CO -0.07 0.27 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.15 1nqt h ASP 447 N 0.41 -0.23 -0.35 7.07 5.19 -1.75 0.65 116.42 127.42 1nqt h ASP 447 Ca 0.34 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1nqt h ASP 447 Cb 0.45 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1nqt h ASP 447 CO -0.34 -0.08 0.17 0.40 -3.12 0.00 0.00 179.24 176.27 1nqt h ILE 448 N 0.02 1.16 0.58 0.35 1.08 -1.23 -1.69 117.51 117.77 1nqt h ILE 448 Ca 0.13 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1nqt h ILE 448 Cb 0.20 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 1nqt h ILE 448 CO -0.27 0.17 -0.42 0.58 -0.69 0.00 0.00 178.15 177.52 1nqt h VAL 449 N 0.42 0.16 -0.75 1.67 2.07 0.07 0.31 116.25 120.20 1nqt h VAL 449 Ca 0.12 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.81 1nqt h VAL 449 Cb 0.11 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 29.91 1nqt h VAL 449 CO -0.02 0.00 0.06 0.45 0.02 0.00 0.00 177.57 178.09 1nqt h HIS 450 N -0.96 0.06 0.34 1.57 3.86 0.39 0.12 115.15 120.52 1nqt h HIS 450 Ca -0.07 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1nqt h HIS 450 Cb 0.80 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1nqt h HIS 450 CO -0.15 -0.20 -0.17 0.66 0.86 0.00 0.00 177.93 178.93 1nqt h SER 451 N 0.15 -0.41 -0.82 2.45 4.64 -1.12 -1.45 113.55 116.99 1nqt h SER 451 Ca 0.42 0.02 0.23 0.00 -0.47 0.00 0.00 61.79 61.98 1nqt h SER 451 Cb 0.75 0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 62.79 1nqt h SER 451 CO -0.62 -0.28 0.02 0.61 -0.87 0.00 0.00 176.83 175.68 1nqt n GLY 452 N -1.23 -1.12 0.24 -0.77 0.00 0.08 0.66 105.19 103.05 1nqt n GLY 452 Ca -0.06 0.80 -0.06 0.00 0.00 0.00 0.00 46.02 46.70 1nqt n GLY 452 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nqt h LEU 453 N 0.00 0.68 0.01 0.99 6.46 -0.60 -1.69 115.31 121.17 1nqt h LEU 453 Ca 0.50 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.23 1nqt h LEU 453 Cb 1.03 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1nqt h LEU 453 CO -0.77 0.50 -0.01 0.00 -0.62 0.00 0.00 178.44 177.54 1nqt h ALA 454 N 1.21 -0.02 -0.31 1.25 0.00 0.13 -1.76 119.26 119.76 1nqt h ALA 454 Ca 0.21 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1nqt h ALA 454 Cb -0.08 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 1nqt h ALA 454 CO -0.04 -0.34 -0.39 -0.92 0.00 0.00 0.00 179.25 177.56 1nqt h TYR 455 N -0.37 -1.10 -0.36 0.00 5.03 -0.92 0.51 116.97 119.77 1nqt h TYR 455 Ca -0.00 0.06 0.08 0.00 2.58 0.00 0.00 58.73 61.44 1nqt h TYR 455 Cb 0.35 0.53 -0.09 0.00 1.55 0.00 0.00 36.73 39.08 1nqt h TYR 455 CO 0.04 -0.43 -0.29 1.15 -1.32 0.00 0.00 178.16 177.32 1nqt h THR 456 N -0.35 0.29 -0.71 1.81 2.02 -1.21 0.15 112.91 114.91 1nqt h THR 456 Ca 0.13 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.40 1nqt h THR 456 Cb 0.58 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1nqt h THR 456 CO -0.50 0.00 0.47 0.24 0.37 0.00 0.00 175.52 176.10 1nqt h MET 457 N -0.24 0.58 0.39 6.66 2.86 -0.35 -0.04 114.93 124.80 1nqt h MET 457 Ca 0.17 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1nqt h MET 457 Cb 0.51 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1nqt h MET 457 CO -0.49 0.38 -0.19 1.49 1.06 0.00 0.00 176.91 179.16 1nqt h GLU 458 N 0.60 -0.51 -0.70 1.72 4.81 0.13 -0.84 114.58 119.79 1nqt h GLU 458 Ca 0.32 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.74 1nqt h GLU 458 Cb 0.47 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.86 1nqt h GLU 458 CO -0.11 -0.34 0.09 -0.09 -0.73 0.00 0.00 179.01 177.83 1nqt h ARG 459 N -1.14 0.18 -0.77 1.92 2.43 -0.53 0.25 114.38 116.73 1nqt h ARG 459 Ca -0.05 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1nqt h ARG 459 Cb 0.41 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1nqt h ARG 459 CO 0.09 0.12 0.33 0.77 -1.51 0.00 0.00 179.97 179.77 1nqt h SER 460 N 0.19 1.04 -0.11 -3.80 0.02 -1.07 -0.63 113.55 109.19 1nqt h SER 460 Ca 0.39 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1nqt h SER 460 Cb 0.65 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1nqt h SER 460 CO -0.54 0.91 -0.10 0.00 -1.14 0.00 0.00 176.83 175.96 1nqt h ALA 461 N 1.17 -0.01 -0.44 3.77 0.00 0.53 0.20 119.26 124.48 1nqt h ALA 461 Ca 0.26 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1nqt h ALA 461 Cb 0.18 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1nqt h ALA 461 CO -0.03 -0.55 0.09 0.00 0.00 0.00 0.00 179.25 178.76 1nqt h ARG 462 N -0.11 0.66 0.36 0.00 3.08 -0.99 -0.51 114.38 116.87 1nqt h ARG 462 Ca 0.08 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1nqt h ARG 462 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1nqt h ARG 462 CO -0.18 0.62 -0.17 1.96 -1.07 0.00 0.00 179.97 181.13 1nqt h GLN 463 N 0.64 -0.47 -0.99 0.04 4.20 -0.57 0.13 115.11 118.10 1nqt h GLN 463 Ca 0.14 0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.09 1nqt h GLN 463 Cb 0.27 0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.06 1nqt h GLN 463 CO -0.00 -0.28 0.62 0.82 -0.67 0.00 0.00 178.83 179.32 1nqt h ILE 464 N -0.55 0.67 0.48 2.54 2.04 -0.30 -0.64 117.51 121.75 1nqt h ILE 464 Ca -0.05 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1nqt h ILE 464 Cb 0.41 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1nqt h ILE 464 CO 0.08 0.11 -0.23 0.24 0.00 0.00 0.00 178.15 178.36 1nqt h MET 465 N 0.62 -0.62 -0.40 2.37 2.86 -0.27 -1.37 114.93 118.12 1nqt h MET 465 Ca 0.56 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.36 1nqt h MET 465 Cb 1.07 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1nqt h MET 465 CO -0.32 -0.32 0.30 0.00 1.06 0.00 0.00 176.91 177.63 1nqt h ARG 466 N -1.02 0.00 -0.01 1.72 3.08 0.22 0.59 114.38 118.96 1nqt h ARG 466 Ca -0.07 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 1nqt h ARG 466 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.65 1nqt h ARG 466 CO 0.11 0.00 -0.57 1.15 -1.07 0.00 0.00 179.97 179.59 1nqt h THR 467 N 0.00 1.43 0.42 2.04 2.02 -1.12 -2.19 112.91 115.51 1nqt h THR 467 Ca 0.19 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1nqt h THR 467 Cb 0.78 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 1nqt h THR 467 CO -0.00 0.59 -0.51 0.00 0.37 0.00 0.00 175.52 175.97 1nqt h ALA 468 N 0.33 -1.11 -0.65 6.16 0.00 0.24 -1.57 119.26 122.66 1nqt h ALA 468 Ca -0.07 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.86 1nqt h ALA 468 Cb 1.28 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 1nqt h ALA 468 CO 0.11 -1.17 0.63 1.98 0.00 0.00 0.00 179.25 180.80 1nqt h MET 469 N -0.96 0.00 0.33 0.00 -1.53 -1.29 -0.35 114.93 111.14 1nqt h MET 469 Ca -0.05 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.19 1nqt h MET 469 Cb 0.85 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.91 1nqt h MET 469 CO -0.11 0.00 -0.16 -0.22 0.14 0.00 0.00 176.91 176.56 1nqt h LYS 470 N 0.00 -0.43 -0.92 0.39 3.64 -0.63 -3.18 116.57 115.44 1nqt h LYS 470 Ca 0.31 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1nqt h LYS 470 Cb 1.56 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1nqt h LYS 470 CO -0.00 -0.24 0.00 0.66 -2.27 0.00 0.00 179.45 177.59 1nqt n TYR 471 N -5.07 0.08 -0.59 1.91 4.01 -0.54 -4.85 117.16 112.11 1nqt n TYR 471 Ca -0.06 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1nqt n TYR 471 Cb 0.20 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1nqt n TYR 471 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1nqt n ASN 472 N -0.00 -1.90 -4.35 7.72 5.15 -0.25 -4.94 115.26 116.69 1nqt n ASN 472 Ca 0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.66 1nqt n ASN 472 Cb 0.27 -2.52 0.13 0.00 -0.53 0.00 0.00 39.78 37.13 1nqt n ASN 472 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1nqt n LEU 473 N 0.00 -1.17 0.00 1.20 4.77 -0.87 -4.91 117.00 116.02 1nqt n LEU 473 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1nqt n LEU 473 Cb 0.16 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1nqt n LEU 473 CO 0.00 -3.64 0.00 0.61 -1.33 0.00 0.00 177.39 173.03 1nqt n GLY 474 N 1.79 -0.14 0.97 -0.72 0.00 -1.26 -4.47 105.19 101.36 1nqt n GLY 474 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1nqt n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nqt n LEU 475 N 0.00 3.79 -2.77 0.99 4.32 -1.26 -4.69 117.00 117.37 1nqt n LEU 475 Ca 0.00 -2.55 -0.28 0.00 -0.02 0.00 0.00 56.01 53.16 1nqt n LEU 475 Cb 0.00 -0.45 -0.08 0.00 -1.62 0.00 0.00 43.42 41.27 1nqt n LEU 475 CO 0.00 0.72 2.57 -0.67 -1.22 0.00 0.00 177.39 178.79 1nqt n ASP 476 N 0.21 7.25 -0.29 -1.43 2.03 -1.26 -4.14 116.55 118.92 1nqt n ASP 476 Ca 0.19 -2.60 0.18 0.00 0.52 0.00 0.00 54.79 53.08 1nqt n ASP 476 Cb 0.74 -1.48 0.46 0.00 -0.72 0.00 0.00 41.12 40.12 1nqt n ASP 476 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1nqt h LEU 477 N 5.98 0.52 -0.02 -2.67 -0.00 -1.84 -2.29 115.31 115.00 1nqt h LEU 477 Ca 0.58 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 58.54 1nqt h LEU 477 Cb 0.78 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.37 1nqt h LEU 477 CO 1.12 0.18 -0.45 -0.09 -0.00 0.00 0.00 178.44 179.21 1nqt h ARG 478 N 0.51 -0.53 -0.15 1.13 2.43 -1.81 -0.32 114.38 115.63 1nqt h ARG 478 Ca 0.52 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.66 1nqt h ARG 478 Cb 1.16 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1nqt h ARG 478 CO -0.25 -0.35 -0.23 1.79 -1.51 0.00 0.00 179.97 179.42 1nqt h THR 479 N -0.55 1.23 -0.88 0.20 1.35 -1.81 -0.08 112.91 112.38 1nqt h THR 479 Ca 0.01 -1.07 0.08 0.00 -0.55 0.00 0.00 66.41 64.88 1nqt h THR 479 Cb 0.60 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 68.33 1nqt h THR 479 CO -0.31 0.33 0.57 0.00 -0.25 0.00 0.00 175.52 175.86 1nqt h ALA 480 N 1.53 1.59 0.02 6.62 0.00 -0.93 0.76 119.26 128.85 1nqt h ALA 480 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nqt h ALA 480 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nqt h ALA 480 CO 0.04 0.25 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 1nqt h ALA 481 N 1.54 -0.03 0.00 0.00 0.00 -0.20 0.70 119.26 121.27 1nqt h ALA 481 Ca 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nqt h ALA 481 Cb 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nqt h ALA 481 CO -0.16 -0.12 -0.06 1.88 0.00 0.00 0.00 179.25 180.79 1nqt h TYR 482 N -0.82 0.00 -0.03 0.00 0.05 -0.65 0.17 116.97 115.68 1nqt h TYR 482 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1nqt h TYR 482 Cb 0.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1nqt h TYR 482 CO 0.18 0.06 -0.08 0.28 -1.05 0.00 0.00 178.16 177.55 1nqt h VAL 483 N 0.00 1.45 -0.93 -2.88 2.07 0.59 -1.53 116.25 115.01 1nqt h VAL 483 Ca -0.00 -1.47 0.19 0.00 0.82 0.00 0.00 66.70 66.24 1nqt h VAL 483 Cb 0.12 2.35 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 1nqt h VAL 483 CO 0.01 0.40 0.51 -1.13 0.02 0.00 0.00 177.57 177.37 1nqt h ASN 484 N -0.44 0.60 -0.06 0.57 -1.24 0.38 -1.58 115.58 113.82 1nqt h ASN 484 Ca -0.00 0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1nqt h ASN 484 Cb 0.69 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 1nqt h ASN 484 CO 0.02 0.19 -0.03 0.00 -1.29 0.00 0.00 177.43 176.32 1nqt h ALA 485 N 1.64 0.08 -0.95 1.57 0.00 -0.58 -3.13 119.26 117.89 1nqt h ALA 485 Ca 0.54 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.34 1nqt h ALA 485 Cb 0.87 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1nqt h ALA 485 CO -0.41 -0.16 0.60 0.82 0.00 0.00 0.00 179.25 180.10 1nqt h ILE 486 N -0.26 0.90 -0.50 0.00 1.08 -0.84 -0.45 117.51 117.44 1nqt h ILE 486 Ca 0.01 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1nqt h ILE 486 Cb 0.48 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.14 1nqt h ILE 486 CO 0.01 0.16 0.32 -0.33 -0.69 0.00 0.00 178.15 177.62 1nqt h GLU 487 N 0.88 0.62 0.64 2.37 5.08 -1.28 -1.67 114.58 121.23 1nqt h GLU 487 Ca 0.47 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1nqt h GLU 487 Cb 0.55 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1nqt h GLU 487 CO -0.23 0.41 -0.31 0.87 -1.00 0.00 0.00 179.01 178.75 1nqt h LYS 488 N 0.64 -0.83 -0.83 2.33 1.57 -1.22 -0.55 116.57 117.68 1nqt h LYS 488 Ca 0.19 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.22 1nqt h LYS 488 Cb -0.03 0.19 -0.12 0.00 0.08 0.00 0.00 32.23 32.35 1nqt h LYS 488 CO -0.07 -0.56 0.31 0.28 -0.57 0.00 0.00 179.45 178.85 1nqt h VAL 489 N -1.13 0.51 0.63 0.50 2.07 -1.17 -2.21 116.25 115.43 1nqt h VAL 489 Ca -0.09 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1nqt h VAL 489 Cb 0.66 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1nqt h VAL 489 CO 0.15 0.07 -0.30 0.15 0.02 0.00 0.00 177.57 177.65 1nqt h PHE 490 N 0.36 -0.78 -1.64 1.57 3.57 -1.27 -2.56 116.94 116.21 1nqt h PHE 490 Ca 0.50 -0.02 0.47 0.00 3.53 0.00 0.00 57.97 62.45 1nqt h PHE 490 Cb 0.89 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 1nqt h PHE 490 CO -0.19 -0.49 1.28 1.17 -2.23 0.00 0.00 178.31 177.86 1nqt n LYS 491 N -4.36 0.00 -0.07 1.11 3.00 -0.22 0.22 118.16 117.84 1nqt n LYS 491 Ca -0.10 0.99 -0.12 0.00 -0.00 0.00 0.00 58.31 59.07 1nqt n LYS 491 Cb 0.33 -2.33 -0.10 0.00 0.00 0.00 0.00 35.03 32.93 1nqt n LYS 491 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1nqt h VAL 492 N 0.00 1.29 0.09 3.15 2.07 -1.30 -2.14 116.25 119.41 1nqt h VAL 492 Ca 0.78 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1nqt h VAL 492 Cb 3.33 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 35.61 1nqt h VAL 492 CO -0.01 0.44 -0.12 1.88 0.02 0.00 0.00 177.57 179.77 1nqt h TYR 493 N -1.00 -0.35 -0.98 1.57 0.05 0.18 -3.04 116.97 113.40 1nqt h TYR 493 Ca -0.05 0.01 0.23 0.00 0.05 0.00 0.00 58.73 58.96 1nqt h TYR 493 Cb 0.86 0.14 -0.18 0.00 1.01 0.00 0.00 36.73 38.56 1nqt h TYR 493 CO 0.19 -0.16 -0.14 -1.71 -1.05 0.00 0.00 178.16 175.29 1nqt n ASN 494 N -3.09 -0.25 -2.74 3.88 2.85 0.28 -1.44 115.26 114.75 1nqt n ASN 494 Ca -0.03 1.67 -0.27 0.00 -0.11 0.00 0.00 54.58 55.85 1nqt n ASN 494 Cb 0.11 -0.55 -0.09 0.00 1.24 0.00 0.00 39.78 40.49 1nqt n ASN 494 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1nqt n GLU 495 N -5.54 2.98 0.00 1.20 1.02 -0.80 -3.94 120.64 115.56 1nqt n GLU 495 Ca 0.19 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 1nqt n GLU 495 Cb 0.60 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1nqt n GLU 495 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nqt n ALA 496 N 3.00 0.00 0.00 0.62 0.00 -0.82 -4.92 120.51 118.39 1nqt n ALA 496 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1nqt n ALA 496 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1nqt n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqt n GLY 497 N 0.00 -0.10 0.00 0.00 0.00 -0.52 -4.01 105.19 100.56 1nqt n GLY 497 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1nqt n GLY 497 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nqt n VAL 498 N 0.00 0.00 -0.02 1.61 0.24 -1.26 -4.61 118.33 114.29 1nqt n VAL 498 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1nqt n VAL 498 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 1nqt n VAL 498 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1nqt h THR 499 N 0.00 1.25 -2.65 3.34 2.02 -2.03 -3.27 112.91 111.57 1nqt h THR 499 Ca 0.00 -1.61 -0.78 0.00 0.77 0.00 0.00 66.41 64.78 1nqt h THR 499 Cb 0.00 2.22 -0.24 0.00 -1.74 0.00 0.00 68.15 68.40 1nqt h THR 499 CO 0.00 0.37 1.05 0.49 0.37 0.00 0.00 175.52 177.80 1nqt n PHE 500 N -4.77 3.69 0.49 3.16 3.01 -1.26 -5.26 117.46 116.53 1nqt n PHE 500 Ca -0.08 -3.12 0.06 0.00 1.01 0.00 0.00 57.45 55.32 1nqt n PHE 500 Cb 0.32 -1.68 0.05 0.00 -0.01 0.00 0.00 39.48 38.16 1nqt n PHE 500 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40