#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpr s TYR 2 N 0.00 3.57 0.01 0.00 5.04 -1.26 -5.04 117.35 119.67 1jpr s TYR 2 Ca 0.00 1.49 -0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1jpr s TYR 2 Cb 0.00 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.59 1jpr s TYR 2 CO 0.00 0.21 -0.01 -0.08 -1.34 0.00 0.00 175.55 174.33 1jpr s THR 3 N -1.70 0.04 -0.67 4.34 -1.32 -1.26 -5.02 115.64 110.05 1jpr s THR 3 Ca 0.49 -0.30 0.25 0.00 -1.21 0.00 0.00 61.69 60.93 1jpr s THR 3 Cb -0.15 -0.09 0.28 0.00 -1.51 0.00 0.00 72.50 71.02 1jpr s THR 3 CO 0.20 -0.16 1.76 0.35 -2.21 0.00 0.00 174.62 174.56 1jpr n THR 4 N 2.60 0.65 -3.30 5.08 -2.24 -1.26 -4.32 114.28 111.48 1jpr n THR 4 Ca -0.16 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1jpr n THR 4 Cb 0.58 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 1jpr n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jpr s PHE 5 N -3.16 -0.67 0.24 4.78 5.36 -1.26 -4.89 117.98 118.39 1jpr s PHE 5 Ca 0.09 -0.59 -0.31 0.00 -0.96 0.00 0.00 56.93 55.15 1jpr s PHE 5 Cb 0.12 -0.21 -0.12 0.00 -0.34 0.00 0.00 43.02 42.46 1jpr s PHE 5 CO 0.54 -1.03 1.64 -1.13 -1.46 0.00 0.00 175.22 173.78 1jpr n SER 6 N 4.19 3.80 -0.22 6.13 3.41 -1.26 -4.92 113.62 124.76 1jpr n SER 6 Ca 0.12 1.10 0.15 0.00 -0.26 0.00 0.00 58.87 59.98 1jpr n SER 6 Cb 0.48 -1.56 0.66 0.00 -0.26 0.00 0.00 64.21 63.53 1jpr n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jpr n GLN 7 N 3.03 1.11 -3.09 4.33 10.64 -1.26 -4.74 117.38 127.40 1jpr n GLN 7 Ca 0.13 -0.44 -0.39 0.00 -1.83 0.00 0.00 57.00 54.46 1jpr n GLN 7 Cb 0.35 -1.49 -0.05 0.00 -0.86 0.00 0.00 30.24 28.19 1jpr n GLN 7 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1jpr s THR 8 N -2.19 5.07 -0.58 -0.39 2.01 -1.26 -4.99 115.64 113.31 1jpr s THR 8 Ca 0.37 1.35 -0.27 0.00 0.31 0.00 0.00 61.69 63.44 1jpr s THR 8 Cb 0.21 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1jpr s THR 8 CO 0.40 0.25 1.69 -0.75 -0.69 0.00 0.00 174.62 175.52 1jpr s LYS 9 N 0.88 2.92 0.20 4.92 2.20 -1.26 -4.98 119.74 124.63 1jpr s LYS 9 Ca 0.35 0.59 0.10 0.00 -0.36 0.00 0.00 55.97 56.65 1jpr s LYS 9 Cb -0.17 -4.28 -0.04 0.00 -1.51 0.00 0.00 37.83 31.82 1jpr s LYS 9 CO 0.16 -2.39 -0.13 0.54 -0.36 0.00 0.00 175.35 173.17 1jpr s ASN 10 N 6.58 4.03 -0.57 1.43 4.22 -1.26 -5.07 114.94 124.30 1jpr s ASN 10 Ca 0.62 -0.68 -0.26 0.00 -2.14 0.00 0.00 52.86 50.40 1jpr s ASN 10 Cb -0.13 -0.59 0.04 0.00 1.28 0.00 0.00 41.25 41.85 1jpr s ASN 10 CO 0.23 0.10 1.04 -0.62 -2.04 0.00 0.00 177.10 175.81 1jpr s ASP 11 N -2.89 6.38 0.56 3.54 -1.08 -1.26 -4.89 116.67 117.03 1jpr s ASP 11 Ca 0.25 -0.18 0.33 0.00 -0.52 0.00 0.00 52.55 52.42 1jpr s ASP 11 Cb -0.08 -2.48 1.61 0.00 -1.46 0.00 0.00 42.92 40.50 1jpr s ASP 11 CO 0.14 -1.34 2.10 1.56 0.52 0.00 0.00 175.17 178.15 1jpr h GLN 12 N 9.42 0.00 0.00 4.34 4.20 -1.97 -1.93 115.11 129.16 1jpr h GLN 12 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1jpr h GLN 12 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1jpr h GLN 12 CO 1.13 0.07 0.00 -0.07 -0.67 0.00 0.00 178.83 179.29 1jpr h LEU 13 N 0.00 0.00 -1.76 1.46 3.38 -1.95 -3.19 115.31 113.25 1jpr h LEU 13 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jpr h LEU 13 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jpr h LEU 13 CO 0.01 0.00 -0.03 0.29 0.09 0.00 0.00 178.44 178.80 1jpr n LYS 14 N -2.86 1.88 -2.15 1.13 5.02 -0.73 -4.77 118.16 115.68 1jpr n LYS 14 Ca 0.01 -1.70 -0.31 0.00 -2.02 0.00 0.00 58.31 54.29 1jpr n LYS 14 Cb 0.28 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1jpr n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jpr s GLU 15 N -1.78 3.76 0.86 1.97 0.41 -1.20 -5.06 118.70 117.66 1jpr s GLU 15 Ca 0.24 0.83 -0.12 0.00 -0.41 0.00 0.00 54.97 55.51 1jpr s GLU 15 Cb 0.17 -2.12 0.11 0.00 -1.78 0.00 0.00 34.13 30.51 1jpr s GLU 15 CO 0.28 -0.41 1.13 -1.25 -0.49 0.00 0.00 175.26 174.51 1jpr s PRO 16 N -4.63 1.59 0.17 0.39 0.04 -1.26 -4.93 135.00 126.37 1jpr s PRO 16 Ca 0.57 0.38 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 1jpr s PRO 16 Cb -0.10 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1jpr s PRO 16 CO 0.43 -1.90 1.83 0.52 0.04 0.00 0.00 177.00 177.92 1jpr h MET 17 N -1.29 0.64 -6.05 4.56 2.86 -1.95 -3.38 114.93 110.32 1jpr h MET 17 Ca -0.49 -0.04 -0.54 0.00 -2.06 0.00 0.00 59.70 56.57 1jpr h MET 17 Cb 1.31 -0.14 -0.19 0.00 0.06 0.00 0.00 31.60 32.64 1jpr h MET 17 CO 0.62 0.43 -0.79 -0.06 1.06 0.00 0.00 176.91 178.16 1jpr s PHE 18 N -6.16 1.87 0.00 -0.22 0.08 -1.26 -0.78 117.98 111.51 1jpr s PHE 18 Ca -0.13 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.47 1jpr s PHE 18 Cb 0.12 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1jpr s PHE 18 CO 0.74 0.33 0.00 1.19 -0.10 0.00 0.00 175.22 177.38 1jpr n PHE 19 N 0.42 0.00 -0.36 0.36 3.72 0.49 -4.85 117.46 117.23 1jpr n PHE 19 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1jpr n PHE 19 Cb 0.56 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 1jpr n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jpr n GLY 20 N -1.41 1.09 3.73 1.37 0.00 -1.26 -5.00 105.19 103.72 1jpr n GLY 20 Ca 0.00 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1jpr n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jpr s GLN 21 N 1.25 4.41 0.55 1.61 0.74 -1.26 -4.83 119.66 122.12 1jpr s GLN 21 Ca 0.00 1.98 -0.20 0.00 0.05 0.00 0.00 55.36 57.19 1jpr s GLN 21 Cb 0.00 -3.24 -0.07 0.00 1.10 0.00 0.00 33.01 30.81 1jpr s GLN 21 CO 0.00 -0.25 0.92 -2.30 -0.55 0.00 0.00 175.29 173.11 1jpr n PRO 22 N 3.02 0.98 -2.06 1.67 -0.02 -1.26 -4.47 135.00 132.86 1jpr n PRO 22 Ca 0.07 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1jpr n PRO 22 Cb 0.44 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1jpr n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jpr s VAL 23 N -1.48 2.86 0.00 -1.45 1.01 -1.25 -4.53 120.40 115.57 1jpr s VAL 23 Ca 0.71 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1jpr s VAL 23 Cb -0.46 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1jpr s VAL 23 CO 0.51 0.08 0.00 -0.46 0.00 0.00 0.00 175.10 175.23 1jpr n ASN 24 N 3.03 0.00 -4.71 3.32 0.23 -1.26 -4.53 115.26 111.35 1jpr n ASN 24 Ca 0.09 0.01 -0.42 0.00 -0.53 0.00 0.00 54.58 53.73 1jpr n ASN 24 Cb 0.41 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 37.94 1jpr n ASN 24 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jpr s VAL 25 N -0.28 4.86 -0.49 3.53 1.01 -1.26 -4.94 120.40 122.84 1jpr s VAL 25 Ca 0.00 2.05 -0.23 0.00 0.00 0.00 0.00 61.98 63.81 1jpr s VAL 25 Cb 0.00 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1jpr s VAL 25 CO 0.00 0.15 0.81 0.00 0.00 0.00 0.00 175.10 176.05 1jpr s ALA 26 N 1.10 3.27 0.06 5.51 0.00 -1.26 -4.85 121.76 125.58 1jpr s ALA 26 Ca 0.52 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 51.36 1jpr s ALA 26 Cb -0.21 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 1jpr s ALA 26 CO 0.27 -2.06 -0.13 -0.98 0.00 0.00 0.00 175.76 172.86 1jpr s ARG 27 N 3.38 0.79 -0.08 0.00 1.70 -1.26 -5.06 118.95 118.43 1jpr s ARG 27 Ca 0.28 -0.89 0.11 0.00 -0.47 0.00 0.00 55.73 54.77 1jpr s ARG 27 Cb -0.13 -0.77 0.19 0.00 -0.57 0.00 0.00 34.95 33.67 1jpr s ARG 27 CO 0.20 0.17 1.10 0.66 -1.08 0.00 0.00 175.30 176.35 1jpr n TYR 28 N 1.42 0.00 0.93 5.89 4.01 -1.26 -4.69 117.16 123.47 1jpr n TYR 28 Ca -0.21 -0.61 0.13 0.00 -0.16 0.00 0.00 57.90 57.05 1jpr n TYR 28 Cb 0.54 -0.12 0.47 0.00 -0.31 0.00 0.00 39.34 39.92 1jpr n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1jpr n ASP 29 N -0.74 0.27 -3.58 7.72 5.75 -1.26 -4.88 116.55 119.84 1jpr n ASP 29 Ca 0.09 0.27 -0.12 0.00 -0.01 0.00 0.00 54.79 55.03 1jpr n ASP 29 Cb 0.70 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 40.46 1jpr n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jpr s GLN 30 N -3.02 1.08 -0.03 0.11 -2.07 -1.26 -5.18 119.66 109.29 1jpr s GLN 30 Ca 0.12 -0.48 -0.15 0.00 -1.82 0.00 0.00 55.36 53.03 1jpr s GLN 30 Cb 0.18 0.49 0.03 0.00 -1.09 0.00 0.00 33.01 32.61 1jpr s GLN 30 CO 0.60 -0.42 0.33 1.14 -1.32 0.00 0.00 175.29 175.62 1jpr s GLN 31 N -3.21 0.66 0.13 9.60 0.00 -1.26 -4.92 119.66 120.66 1jpr s GLN 31 Ca -0.01 -0.11 -0.09 0.00 -0.00 0.00 0.00 55.36 55.15 1jpr s GLN 31 Cb 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 33.01 33.25 1jpr s GLN 31 CO -0.08 -0.18 1.38 -0.22 0.00 0.00 0.00 175.29 176.20 1jpr h LYS 32 N 3.98 0.72 -3.79 9.60 3.64 -1.86 -3.40 116.57 125.46 1jpr h LYS 32 Ca -0.29 -0.53 -0.58 0.00 -1.27 0.00 0.00 60.65 57.97 1jpr h LYS 32 Cb 1.18 0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 32.69 1jpr h LYS 32 CO 0.39 1.15 -0.76 0.71 -2.27 0.00 0.00 179.45 178.67 1jpr s TYR 33 N -3.86 1.91 0.14 1.91 2.02 -1.26 -5.00 117.35 113.21 1jpr s TYR 33 Ca -0.09 -1.73 0.34 0.00 -0.37 0.00 0.00 57.07 55.22 1jpr s TYR 33 Cb 0.10 -1.71 1.61 0.00 -0.40 0.00 0.00 41.96 41.55 1jpr s TYR 33 CO 0.88 -0.83 2.02 0.38 -1.57 0.00 0.00 175.55 176.44 1jpr h ASP 34 N 8.04 0.00 -0.84 2.29 3.04 -1.99 -2.91 116.42 124.06 1jpr h ASP 34 Ca -0.14 0.00 0.13 0.00 -3.24 0.00 0.00 57.03 53.79 1jpr h ASP 34 Cb 1.04 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.27 1jpr h ASP 34 CO 0.45 0.00 0.55 -0.29 -2.04 0.00 0.00 179.24 177.90 1jpr h ILE 35 N 0.00 0.85 -0.14 4.15 6.09 -1.98 -0.58 117.51 125.90 1jpr h ILE 35 Ca 0.00 -0.22 -0.14 0.00 -1.37 0.00 0.00 64.86 63.13 1jpr h ILE 35 Cb 0.27 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 37.71 1jpr h ILE 35 CO 0.00 0.12 -0.50 -0.26 -3.07 0.00 0.00 178.15 174.43 1jpr h PHE 36 N 0.64 0.47 -0.39 2.19 0.04 -1.86 -0.59 116.94 117.43 1jpr h PHE 36 Ca 0.41 -0.15 -0.13 0.00 2.80 0.00 0.00 57.97 60.90 1jpr h PHE 36 Cb 0.69 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1jpr h PHE 36 CO -0.00 0.81 -0.27 1.49 -0.60 0.00 0.00 178.31 179.74 1jpr h GLU 37 N 0.30 0.82 -0.69 1.51 4.57 -1.50 -1.15 114.58 118.44 1jpr h GLU 37 Ca 0.01 -0.36 -0.07 0.00 -1.18 0.00 0.00 59.36 57.76 1jpr h GLU 37 Cb 0.99 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 1jpr h GLU 37 CO 0.09 0.99 0.16 0.87 -1.18 0.00 0.00 179.01 179.93 1jpr h LYS 38 N 0.70 1.11 -0.55 1.92 1.57 -0.88 -1.58 116.57 118.85 1jpr h LYS 38 Ca 0.09 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1jpr h LYS 38 Cb 0.80 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1jpr h LYS 38 CO 0.07 0.98 0.14 -0.07 -0.57 0.00 0.00 179.45 180.00 1jpr h LEU 39 N 1.04 0.84 -0.27 2.94 3.38 -0.91 -0.28 115.31 122.05 1jpr h LEU 39 Ca 0.21 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1jpr h LEU 39 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1jpr h LEU 39 CO 0.00 0.85 0.16 0.40 0.09 0.00 0.00 178.44 179.94 1jpr h ILE 40 N 0.79 1.03 -0.89 1.22 2.04 -0.96 -0.21 117.51 120.52 1jpr h ILE 40 Ca 0.17 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1jpr h ILE 40 Cb 0.34 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1jpr h ILE 40 CO 0.00 0.06 0.55 -0.33 0.00 0.00 0.00 178.15 178.43 1jpr h GLU 41 N 0.32 1.20 -0.20 2.37 5.08 -1.11 -0.68 114.58 121.57 1jpr h GLU 41 Ca 0.11 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1jpr h GLU 41 Cb -0.00 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1jpr h GLU 41 CO -0.05 0.84 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.27 1jpr h LYS 42 N 1.22 0.56 -0.76 2.33 1.63 -0.72 -1.56 116.57 119.28 1jpr h LYS 42 Ca 0.32 -0.34 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1jpr h LYS 42 Cb -0.06 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1jpr h LYS 42 CO -0.06 0.94 0.47 0.37 -3.45 0.00 0.00 179.45 177.72 1jpr h GLN 43 N 0.23 1.03 -0.20 1.90 5.75 -0.87 -1.65 115.11 121.29 1jpr h GLN 43 Ca 0.02 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 1jpr h GLN 43 Cb 0.89 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1jpr h GLN 43 CO 0.07 0.72 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.80 1jpr h LEU 44 N 1.04 0.29 -1.07 -2.39 3.38 -1.03 -1.80 115.31 113.73 1jpr h LEU 44 Ca 0.27 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1jpr h LEU 44 Cb -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jpr h LEU 44 CO -0.05 0.43 -0.17 0.77 0.09 0.00 0.00 178.44 179.51 1jpr h SER 45 N 0.29 0.00 -0.03 -0.43 4.64 -0.65 -2.66 113.55 114.72 1jpr h SER 45 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1jpr h SER 45 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jpr h SER 45 CO 0.02 0.17 0.00 0.49 -0.87 0.00 0.00 176.83 176.64 1jpr n PHE 46 N -3.29 0.02 -1.62 4.77 3.72 -0.68 -4.99 117.46 115.39 1jpr n PHE 46 Ca 0.01 -0.01 -0.61 0.00 -0.05 0.00 0.00 57.45 56.79 1jpr n PHE 46 Cb 0.42 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.88 1jpr n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jpr n PHE 47 N 0.12 1.29 -4.07 1.38 7.35 -1.00 -4.98 117.46 117.54 1jpr n PHE 47 Ca 0.19 0.97 -0.09 0.00 -0.76 0.00 0.00 57.45 57.76 1jpr n PHE 47 Cb 0.34 -2.21 -0.10 0.00 0.35 0.00 0.00 39.48 37.85 1jpr n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1jpr s TRP 48 N 1.44 0.53 -0.26 -5.13 1.48 -1.26 -5.13 118.94 110.62 1jpr s TRP 48 Ca 0.95 -0.82 -0.02 0.00 -1.06 0.00 0.00 56.10 55.15 1jpr s TRP 48 Cb -1.28 -0.36 0.03 0.00 -1.16 0.00 0.00 33.47 30.70 1jpr s TRP 48 CO 0.65 -0.25 -0.04 0.50 -4.06 0.00 0.00 176.95 173.75 1jpr s ARG 49 N -2.93 2.84 0.25 3.25 6.06 -1.26 -5.01 118.95 122.15 1jpr s ARG 49 Ca -0.01 -0.98 -0.03 0.00 -2.50 0.00 0.00 55.73 52.21 1jpr s ARG 49 Cb 0.00 -3.06 0.44 0.00 0.06 0.00 0.00 34.95 32.39 1jpr s ARG 49 CO -0.05 -0.42 1.81 -1.35 -2.50 0.00 0.00 175.30 172.78 1jpr h PRO 50 N 8.04 0.78 0.00 5.12 0.11 -1.94 -2.71 132.00 141.40 1jpr h PRO 50 Ca -0.32 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1jpr h PRO 50 Cb 1.11 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1jpr h PRO 50 CO 0.57 0.52 -0.00 0.93 -0.21 0.00 0.00 178.00 179.81 1jpr h GLU 51 N 0.80 0.00 0.00 1.05 3.07 -1.95 0.19 114.58 117.75 1jpr h GLU 51 Ca 0.42 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.26 1jpr h GLU 51 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1jpr h GLU 51 CO -0.26 0.00 -0.08 0.93 -1.40 0.00 0.00 179.01 178.20 1jpr h GLU 52 N 0.00 0.00 -6.36 2.33 5.08 -1.92 -3.44 114.58 110.26 1jpr h GLU 52 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1jpr h GLU 52 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jpr h GLU 52 CO 0.00 0.08 0.79 0.08 -1.00 0.00 0.00 179.01 178.96 1jpr s VAL 53 N -3.33 3.85 -0.40 3.13 1.01 0.05 -4.95 120.40 119.76 1jpr s VAL 53 Ca 0.05 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 1jpr s VAL 53 Cb 0.07 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1jpr s VAL 53 CO 0.64 0.00 1.78 -0.62 0.00 0.00 0.00 175.10 176.91 1jpr s ASP 54 N 1.76 5.78 -0.10 3.32 2.15 -1.26 -4.81 116.67 123.51 1jpr s ASP 54 Ca 0.62 1.05 0.13 0.00 0.43 0.00 0.00 52.55 54.77 1jpr s ASP 54 Cb -0.30 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.10 1jpr s ASP 54 CO 0.25 -1.84 1.21 1.33 -0.17 0.00 0.00 175.17 175.96 1jpr n VAL 55 N 7.35 1.68 0.28 1.11 0.24 -1.26 -4.22 118.33 123.50 1jpr n VAL 55 Ca 0.22 -1.70 0.12 0.00 -2.04 0.00 0.00 64.34 60.94 1jpr n VAL 55 Cb 0.48 0.02 0.78 0.00 -1.47 0.00 0.00 33.84 33.65 1jpr n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1jpr h SER 56 N 0.83 0.00 0.85 -1.34 4.64 -1.93 -1.92 113.55 114.68 1jpr h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jpr h SER 56 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1jpr h SER 56 CO 0.06 0.03 -0.63 -1.14 -0.87 0.00 0.00 176.83 174.28 1jpr n ARG 57 N -4.09 0.28 0.05 4.77 0.63 -1.26 -4.08 116.66 112.96 1jpr n ARG 57 Ca -0.03 0.08 -0.01 0.00 -0.92 0.00 0.00 57.85 56.97 1jpr n ARG 57 Cb 0.11 -1.68 0.26 0.00 0.45 0.00 0.00 32.46 31.60 1jpr n ARG 57 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1jpr h ASP 58 N 0.00 0.38 -0.17 6.15 5.19 -1.68 -1.74 116.42 124.55 1jpr h ASP 58 Ca 0.00 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1jpr h ASP 58 Cb 0.74 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1jpr h ASP 58 CO 0.00 0.62 0.08 -0.09 -3.12 0.00 0.00 179.24 176.73 1jpr h ARG 59 N 0.35 0.25 0.18 3.56 2.43 -1.69 0.33 114.38 119.79 1jpr h ARG 59 Ca 0.06 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1jpr h ARG 59 Cb 0.59 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1jpr h ARG 59 CO 0.04 0.30 -0.19 0.82 -1.51 0.00 0.00 179.97 179.43 1jpr h ILE 60 N 0.15 0.58 -0.34 1.20 1.08 -1.72 -1.80 117.51 116.65 1jpr h ILE 60 Ca 0.06 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1jpr h ILE 60 Cb 0.13 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1jpr h ILE 60 CO -0.01 0.00 0.11 0.44 -0.69 0.00 0.00 178.15 178.00 1jpr h ASP 61 N -0.41 0.10 0.07 1.72 3.32 -1.15 -2.57 116.42 117.51 1jpr h ASP 61 Ca 0.01 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jpr h ASP 61 Cb 0.39 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1jpr h ASP 61 CO -0.06 0.10 -0.04 0.22 -1.72 0.00 0.00 179.24 177.74 1jpr h TYR 62 N 0.25 -0.09 0.00 4.55 3.20 -0.14 -2.25 116.97 122.48 1jpr h TYR 62 Ca 0.15 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1jpr h TYR 62 Cb 0.14 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1jpr h TYR 62 CO -0.15 -0.00 -0.02 -0.56 -1.64 0.00 0.00 178.16 175.79 1jpr h GLN 63 N -0.16 0.00 0.00 1.82 3.07 -1.27 -1.30 115.11 117.27 1jpr h GLN 63 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 1jpr h GLN 63 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 1jpr h GLN 63 CO 0.02 0.02 -0.26 0.00 0.09 0.00 0.00 178.83 178.70 1jpr h ALA 64 N 1.98 0.86 -2.91 0.06 0.00 -1.00 -3.46 119.26 114.78 1jpr h ALA 64 Ca -0.00 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.20 1jpr h ALA 64 Cb 0.16 -0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.04 1jpr h ALA 64 CO 0.00 0.23 0.59 -0.51 0.00 0.00 0.00 179.25 179.57 1jpr s LEU 65 N -6.24 4.00 0.85 0.00 1.43 -0.49 -4.97 118.68 113.25 1jpr s LEU 65 Ca 0.05 2.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.70 1jpr s LEU 65 Cb 0.06 -4.15 0.11 0.00 0.03 0.00 0.00 46.19 42.24 1jpr s LEU 65 CO 0.71 -1.22 1.16 -2.16 0.23 0.00 0.00 176.35 175.06 1jpr s PRO 66 N -2.66 1.45 0.22 1.29 0.04 -1.26 -4.68 135.00 129.40 1jpr s PRO 66 Ca 0.65 1.56 -0.09 0.00 0.04 0.00 0.00 61.00 63.16 1jpr s PRO 66 Cb -0.38 -1.78 0.35 0.00 0.04 0.00 0.00 34.50 32.74 1jpr s PRO 66 CO 0.46 -2.31 1.68 1.49 0.04 0.00 0.00 177.00 178.36 1jpr h GLU 67 N -1.39 0.21 -0.18 4.56 4.57 -1.96 -0.76 114.58 119.63 1jpr h GLU 67 Ca -0.44 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 1jpr h GLU 67 Cb 1.27 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1jpr h GLU 67 CO 0.45 0.14 -0.05 1.12 -1.18 0.00 0.00 179.01 179.49 1jpr h HIS 68 N 0.22 0.28 -0.00 0.92 2.07 -1.90 -0.90 115.15 115.83 1jpr h HIS 68 Ca 0.35 -0.02 -0.18 0.00 -2.85 0.00 0.00 60.37 57.67 1jpr h HIS 68 Cb 0.57 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 30.45 1jpr h HIS 68 CO -0.29 0.33 -0.82 0.93 -3.07 0.00 0.00 177.93 175.01 1jpr h GLU 69 N 0.27 0.12 -0.69 5.12 5.08 -1.52 -1.32 114.58 121.64 1jpr h GLU 69 Ca 0.06 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1jpr h GLU 69 Cb 0.26 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1jpr h GLU 69 CO 0.01 0.87 0.13 0.87 -1.00 0.00 0.00 179.01 179.90 1jpr h LYS 70 N 0.07 1.13 -0.42 2.33 1.57 -0.56 -0.82 116.57 119.88 1jpr h LYS 70 Ca -0.03 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1jpr h LYS 70 Cb 1.43 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1jpr h LYS 70 CO 0.12 1.02 0.23 1.25 -0.57 0.00 0.00 179.45 181.50 1jpr h HIS 71 N 1.07 0.58 -0.05 -1.35 2.76 -0.85 0.05 115.15 117.35 1jpr h HIS 71 Ca 0.21 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1jpr h HIS 71 Cb 0.42 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 1jpr h HIS 71 CO 0.03 0.44 0.02 0.82 -1.30 0.00 0.00 177.93 177.94 1jpr h ILE 72 N 0.55 1.14 0.20 6.26 2.04 -1.04 -0.15 117.51 126.51 1jpr h ILE 72 Ca 0.15 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1jpr h ILE 72 Cb 0.06 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1jpr h ILE 72 CO -0.02 0.12 -0.10 0.15 0.00 0.00 0.00 178.15 178.29 1jpr h PHE 73 N -0.09 -0.26 -0.20 1.37 3.57 -0.95 -1.92 116.94 118.46 1jpr h PHE 73 Ca 0.02 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 1jpr h PHE 73 Cb 0.17 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1jpr h PHE 73 CO -0.02 -0.16 -0.47 0.97 -2.23 0.00 0.00 178.31 176.40 1jpr h ILE 74 N -0.28 1.31 -0.65 1.41 6.09 -0.98 -1.41 117.51 123.00 1jpr h ILE 74 Ca -0.03 -1.67 -0.06 0.00 -1.37 0.00 0.00 64.86 61.73 1jpr h ILE 74 Cb 0.22 1.67 -0.03 0.00 0.47 0.00 0.00 36.82 39.15 1jpr h ILE 74 CO 0.04 0.52 0.17 0.28 -3.07 0.00 0.00 178.15 176.09 1jpr h SER 75 N 0.41 0.98 -0.26 2.19 0.02 -0.95 0.44 113.55 116.38 1jpr h SER 75 Ca 0.02 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1jpr h SER 75 Cb 0.98 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1jpr h SER 75 CO 0.09 0.95 0.12 -1.13 -1.14 0.00 0.00 176.83 175.72 1jpr h ASN 76 N 0.97 0.35 -0.41 3.07 -1.24 -1.13 -2.67 115.58 114.50 1jpr h ASN 76 Ca 0.21 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 1jpr h ASN 76 Cb 0.35 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 1jpr h ASN 76 CO 0.00 0.39 0.06 0.25 -1.29 0.00 0.00 177.43 176.84 1jpr h LEU 77 N 0.28 0.72 -0.83 0.34 5.85 -0.94 -1.71 115.31 119.03 1jpr h LEU 77 Ca 0.09 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1jpr h LEU 77 Cb 0.14 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1jpr h LEU 77 CO -0.01 0.75 0.11 0.11 -0.34 0.00 0.00 178.44 179.06 1jpr h LYS 78 N 0.73 0.99 -0.23 1.25 1.57 -0.81 -0.49 116.57 119.57 1jpr h LYS 78 Ca 0.15 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1jpr h LYS 78 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1jpr h LYS 78 CO 0.01 0.90 0.01 -0.92 -0.57 0.00 0.00 179.45 178.89 1jpr h TYR 79 N 0.93 0.43 -0.70 -1.35 3.20 -1.09 -0.67 116.97 117.72 1jpr h TYR 79 Ca 0.19 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1jpr h TYR 79 Cb 0.39 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 1jpr h TYR 79 CO 0.03 0.56 0.33 1.96 -1.64 0.00 0.00 178.16 179.39 1jpr h GLN 80 N 0.18 0.54 -0.84 1.82 4.20 -1.09 -0.14 115.11 119.78 1jpr h GLN 80 Ca 0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1jpr h GLN 80 Cb 0.38 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1jpr h GLN 80 CO 0.01 0.36 0.45 1.15 -0.67 0.00 0.00 178.83 180.13 1jpr h THR 81 N 0.56 1.25 0.10 -0.54 2.02 -0.76 -1.43 112.91 114.11 1jpr h THR 81 Ca 0.35 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1jpr h THR 81 Cb 0.39 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1jpr h THR 81 CO -0.28 0.28 -0.05 0.25 0.37 0.00 0.00 175.52 176.09 1jpr h LEU 82 N 1.18 -0.12 -0.83 2.58 5.85 -0.47 -0.74 115.31 122.76 1jpr h LEU 82 Ca 0.30 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1jpr h LEU 82 Cb 0.04 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1jpr h LEU 82 CO -0.05 0.06 0.54 -0.07 -0.34 0.00 0.00 178.44 178.58 1jpr h LEU 83 N -0.29 0.91 -0.31 2.25 3.38 -0.74 -2.01 115.31 118.50 1jpr h LEU 83 Ca -0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1jpr h LEU 83 Cb 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1jpr h LEU 83 CO 0.02 0.64 -0.44 0.44 0.09 0.00 0.00 178.44 179.20 1jpr h ASP 84 N 1.07 0.00 -0.43 -0.43 3.32 -1.24 0.49 116.42 119.21 1jpr h ASP 84 Ca 0.32 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1jpr h ASP 84 Cb -0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1jpr h ASP 84 CO -0.09 0.44 0.20 0.28 -1.72 0.00 0.00 179.24 178.34 1jpr h SER 85 N 0.00 0.56 -0.46 6.45 0.02 -0.48 0.06 113.55 119.71 1jpr h SER 85 Ca -0.00 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 1jpr h SER 85 Cb 1.21 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1jpr h SER 85 CO 0.06 0.54 -0.14 0.40 -1.14 0.00 0.00 176.83 176.55 1jpr h ILE 86 N 0.55 1.27 0.00 3.27 2.04 -1.10 -3.17 117.51 120.37 1jpr h ILE 86 Ca 0.15 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1jpr h ILE 86 Cb 0.13 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1jpr h ILE 86 CO -0.02 0.44 0.00 1.56 0.00 0.00 0.00 178.15 180.13 1jpr h GLN 87 N 0.74 0.00 -0.13 2.37 1.08 -0.75 -0.60 115.11 117.82 1jpr h GLN 87 Ca 0.11 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.08 1jpr h GLN 87 Cb 0.70 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1jpr h GLN 87 CO 0.05 0.00 -0.81 0.78 -0.95 0.00 0.00 178.83 177.90 1jpr h GLY 88 N 2.81 0.86 0.39 3.46 0.00 -0.95 -3.38 103.07 106.26 1jpr h GLY 88 Ca 0.00 -1.25 -0.34 0.00 0.00 0.00 0.00 47.33 45.74 1jpr h GLY 88 CO 0.00 1.12 -2.12 -0.96 0.00 0.00 0.00 176.54 174.57 1jpr n ARG 89 N -3.92 0.67 -0.15 4.80 1.85 -1.17 -4.67 116.66 114.07 1jpr n ARG 89 Ca -0.08 0.12 -0.12 0.00 -1.00 0.00 0.00 57.85 56.78 1jpr n ARG 89 Cb 0.77 -1.63 -0.01 0.00 -1.05 0.00 0.00 32.46 30.54 1jpr n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1jpr h SER 90 N 0.00 0.97 -0.56 2.89 0.02 -1.28 -1.04 113.55 114.56 1jpr h SER 90 Ca -0.45 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.09 1jpr h SER 90 Cb 2.14 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 64.38 1jpr h SER 90 CO 0.05 1.16 0.32 -0.65 -1.14 0.00 0.00 176.83 176.57 1jpr h PRO 91 N 0.79 0.78 -0.14 3.45 0.11 -1.81 0.36 132.00 135.54 1jpr h PRO 91 Ca 0.10 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 65.94 1jpr h PRO 91 Cb 0.79 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.74 1jpr h PRO 91 CO 0.07 0.57 -0.70 -0.91 -0.21 0.00 0.00 178.00 176.82 1jpr h ASN 92 N 0.79 0.86 0.76 -2.05 2.35 -1.74 -0.16 115.58 116.40 1jpr h ASN 92 Ca 0.21 -0.63 -0.24 0.00 -0.55 0.00 0.00 56.30 55.08 1jpr h ASN 92 Cb 0.01 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1jpr h ASN 92 CO -0.04 1.35 -1.13 0.58 -1.65 0.00 0.00 177.43 176.55 1jpr h VAL 93 N 0.42 1.58 0.01 2.81 2.07 -0.88 -3.30 116.25 118.96 1jpr h VAL 93 Ca -0.05 -3.17 -0.35 0.00 0.82 0.00 0.00 66.70 63.96 1jpr h VAL 93 Cb 1.33 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 33.92 1jpr h VAL 93 CO 0.14 0.92 -2.16 0.00 0.02 0.00 0.00 177.57 176.50 1jpr n ALA 94 N -2.46 1.46 -0.12 1.67 0.00 0.12 -4.65 120.51 116.53 1jpr n ALA 94 Ca -0.05 -1.09 -0.19 0.00 0.00 0.00 0.00 53.44 52.11 1jpr n ALA 94 Cb 0.98 -0.42 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 1jpr n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jpr n LEU 95 N -2.93 2.78 -0.28 0.00 4.77 -0.14 -4.60 117.00 116.60 1jpr n LEU 95 Ca -0.29 -0.05 0.10 0.00 -0.03 0.00 0.00 56.01 55.74 1jpr n LEU 95 Cb 1.10 -0.83 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 1jpr n LEU 95 CO 0.42 0.84 0.95 -0.07 -1.33 0.00 0.00 177.39 178.21 1jpr h LEU 96 N -0.17 0.05 -0.86 2.23 3.38 -1.45 -0.43 115.31 118.06 1jpr h LEU 96 Ca -0.56 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jpr h LEU 96 Cb 1.79 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1jpr h LEU 96 CO -0.14 -0.09 0.00 -2.65 0.09 0.00 0.00 178.44 175.65 1jpr n PRO 97 N -5.17 0.14 0.00 1.13 -0.02 -1.26 -2.82 135.00 126.99 1jpr n PRO 97 Ca 0.19 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 62.24 1jpr n PRO 97 Cb 0.59 -1.84 0.03 0.00 -0.02 0.00 0.00 33.50 32.27 1jpr n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jpr n LEU 98 N -2.10 1.87 -4.76 2.45 4.77 -0.18 -4.99 117.00 114.06 1jpr n LEU 98 Ca 0.01 -0.90 -0.40 0.00 -0.03 0.00 0.00 56.01 54.69 1jpr n LEU 98 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1jpr n LEU 98 CO 0.13 0.35 0.54 -0.63 -1.33 0.00 0.00 177.39 176.45 1jpr s ILE 99 N -1.39 4.38 -0.03 -0.08 1.01 -1.13 -0.38 121.20 123.58 1jpr s ILE 99 Ca 0.14 1.83 0.05 0.00 0.00 0.00 0.00 60.65 62.67 1jpr s ILE 99 Cb 0.11 -4.20 0.07 0.00 0.01 0.00 0.00 42.46 38.45 1jpr s ILE 99 CO 0.25 0.46 0.94 -1.54 0.00 0.00 0.00 174.94 175.05 1jpr n SER 100 N 1.94 1.49 -4.10 3.58 3.41 0.04 -3.88 113.62 116.10 1jpr n SER 100 Ca -0.03 -2.09 -0.23 0.00 -0.26 0.00 0.00 58.87 56.26 1jpr n SER 100 Cb 0.49 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 64.15 1jpr n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1jpr s ILE 101 N -1.18 1.16 0.24 -1.33 -4.36 -1.25 -4.63 121.20 109.84 1jpr s ILE 101 Ca 0.08 -0.60 -0.07 0.00 -0.26 0.00 0.00 60.65 59.81 1jpr s ILE 101 Cb 0.07 -0.99 0.23 0.00 1.25 0.00 0.00 42.46 43.02 1jpr s ILE 101 CO 0.01 0.34 1.90 1.55 0.24 0.00 0.00 174.94 178.98 1jpr h PRO 102 N 6.06 1.18 -0.62 0.37 0.13 -1.90 -1.69 132.00 135.52 1jpr h PRO 102 Ca -0.34 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1jpr h PRO 102 Cb 1.17 -0.27 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 1jpr h PRO 102 CO 0.48 0.78 0.26 1.05 -0.23 0.00 0.00 178.00 180.34 1jpr h GLU 103 N 1.21 0.89 -0.11 0.86 9.09 -1.91 -1.54 114.58 123.08 1jpr h GLU 103 Ca 0.35 -0.13 -0.23 0.00 0.05 0.00 0.00 59.36 59.39 1jpr h GLU 103 Cb -0.09 -0.16 0.01 0.00 -1.65 0.00 0.00 28.75 26.86 1jpr h GLU 103 CO -0.09 0.72 -0.84 1.25 0.05 0.00 0.00 179.01 180.11 1jpr h LEU 104 N 0.88 0.88 0.10 3.06 5.85 -1.86 -1.74 115.31 122.49 1jpr h LEU 104 Ca 0.21 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1jpr h LEU 104 Cb 0.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1jpr h LEU 104 CO -0.02 1.40 -0.19 -0.08 -0.34 0.00 0.00 178.44 179.21 1jpr h GLU 105 N 0.47 -0.35 -0.31 1.25 4.81 -1.03 0.93 114.58 120.36 1jpr h GLU 105 Ca -0.07 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1jpr h GLU 105 Cb 1.46 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1jpr h GLU 105 CO 0.17 -0.24 -0.24 1.15 -0.73 0.00 0.00 179.01 179.12 1jpr h THR 106 N -0.37 1.27 -0.36 0.32 2.02 -1.34 -2.04 112.91 112.41 1jpr h THR 106 Ca 0.03 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1jpr h THR 106 Cb 0.39 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1jpr h THR 106 CO -0.11 0.42 0.24 -0.25 0.37 0.00 0.00 175.52 176.19 1jpr h TRP 107 N 0.53 0.46 -0.71 3.16 -0.00 -1.00 -0.24 115.95 118.14 1jpr h TRP 107 Ca 0.08 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.95 1jpr h TRP 107 Cb 0.70 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 29.67 1jpr h TRP 107 CO 0.03 0.29 0.34 0.28 -0.00 0.00 0.00 178.44 179.38 1jpr h VAL 108 N 0.49 1.23 -0.05 2.65 2.07 -0.43 0.96 116.25 123.16 1jpr h VAL 108 Ca 0.13 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1jpr h VAL 108 Cb -0.05 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1jpr h VAL 108 CO -0.03 0.27 -0.47 -0.33 0.02 0.00 0.00 177.57 177.04 1jpr h GLU 109 N 1.01 0.12 -0.09 1.57 5.08 -1.06 -0.76 114.58 120.45 1jpr h GLU 109 Ca 0.25 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1jpr h GLU 109 Cb 0.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1jpr h GLU 109 CO -0.03 0.57 -0.54 1.15 -1.00 0.00 0.00 179.01 179.16 1jpr h THR 110 N 0.10 1.37 0.13 1.13 2.02 -0.53 -1.60 112.91 115.52 1jpr h THR 110 Ca 0.00 -1.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 1jpr h THR 110 Cb 0.87 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1jpr h THR 110 CO 0.07 0.56 -0.06 -0.25 0.37 0.00 0.00 175.52 176.21 1jpr h TRP 111 N 0.11 -0.16 -0.90 3.16 7.01 -0.75 0.19 115.95 124.61 1jpr h TRP 111 Ca -0.04 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.96 1jpr h TRP 111 Cb 1.19 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 28.26 1jpr h TRP 111 CO 0.12 -0.06 0.59 0.00 -2.79 0.00 0.00 178.44 176.30 1jpr h ALA 112 N 0.65 1.15 -0.89 2.65 0.00 -1.18 -2.06 119.26 119.57 1jpr h ALA 112 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jpr h ALA 112 Cb 0.17 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1jpr h ALA 112 CO 0.03 0.56 0.58 0.35 0.00 0.00 0.00 179.25 180.77 1jpr h PHE 113 N 1.23 1.10 0.00 0.00 3.57 -0.93 -2.33 116.94 119.57 1jpr h PHE 113 Ca 0.33 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 1jpr h PHE 113 Cb -0.12 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.24 1jpr h PHE 113 CO -0.01 0.65 -0.20 0.66 -2.23 0.00 0.00 178.31 177.18 1jpr h SER 114 N 1.15 0.00 0.13 0.41 4.64 -0.28 -1.94 113.55 117.67 1jpr h SER 114 Ca 0.34 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 1jpr h SER 114 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1jpr h SER 114 CO -0.10 0.20 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.29 1jpr h GLU 115 N 0.00 0.38 0.00 4.77 4.39 -0.97 -2.45 114.58 120.70 1jpr h GLU 115 Ca -0.00 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 1jpr h GLU 115 Cb 0.43 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1jpr h GLU 115 CO 0.03 0.76 -0.37 1.79 -1.16 0.00 0.00 179.01 180.05 1jpr h THR 116 N 0.31 1.23 -0.40 1.13 1.35 -1.11 -0.57 112.91 114.84 1jpr h THR 116 Ca 0.02 -1.29 -0.07 0.00 -0.55 0.00 0.00 66.41 64.52 1jpr h THR 116 Cb 0.91 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1jpr h THR 116 CO 0.08 0.36 -0.03 0.40 -0.25 0.00 0.00 175.52 176.08 1jpr h ILE 117 N 0.00 1.27 -0.74 6.82 1.08 -1.25 -0.85 117.51 123.83 1jpr h ILE 117 Ca -0.00 -1.08 0.03 0.00 -0.39 0.00 0.00 64.86 63.42 1jpr h ILE 117 Cb 0.67 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 1jpr h ILE 117 CO 0.05 0.36 0.47 0.45 -0.69 0.00 0.00 178.15 178.79 1jpr h HIS 118 N 0.56 0.88 -0.91 1.37 3.86 -0.87 0.51 115.15 120.55 1jpr h HIS 118 Ca 0.11 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1jpr h HIS 118 Cb 0.53 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1jpr h HIS 118 CO 0.04 0.51 0.53 0.77 0.86 0.00 0.00 177.93 180.64 1jpr h SER 119 N 0.92 1.11 -0.01 2.45 0.02 -0.89 -1.57 113.55 115.59 1jpr h SER 119 Ca 0.30 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1jpr h SER 119 Cb 0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1jpr h SER 119 CO -0.11 0.87 -0.25 0.03 -1.14 0.00 0.00 176.83 176.23 1jpr h ARG 120 N 1.26 0.42 -0.25 3.45 3.08 -0.37 -2.37 114.38 119.61 1jpr h ARG 120 Ca 0.32 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1jpr h ARG 120 Cb -0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1jpr h ARG 120 CO -0.06 0.65 -0.19 0.66 -1.07 0.00 0.00 179.97 179.96 1jpr h SER 121 N 0.37 0.43 0.03 7.04 4.64 -0.12 -2.08 113.55 123.87 1jpr h SER 121 Ca 0.06 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1jpr h SER 121 Cb 0.65 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1jpr h SER 121 CO 0.05 0.64 -0.43 1.88 -0.87 0.00 0.00 176.83 178.10 1jpr h TYR 122 N 0.40 0.60 -0.68 4.77 0.05 -0.83 -1.50 116.97 119.77 1jpr h TYR 122 Ca 0.07 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.63 1jpr h TYR 122 Cb 0.56 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1jpr h TYR 122 CO 0.02 0.84 0.27 1.15 -1.05 0.00 0.00 178.16 179.39 1jpr h THR 123 N 0.41 1.24 -0.64 -2.88 2.02 -1.23 0.16 112.91 111.99 1jpr h THR 123 Ca 0.03 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1jpr h THR 123 Cb 0.92 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1jpr h THR 123 CO 0.08 0.30 0.41 -0.74 0.37 0.00 0.00 175.52 175.94 1jpr h HIS 124 N 0.96 0.83 0.23 3.16 -0.00 -0.96 0.12 115.15 119.49 1jpr h HIS 124 Ca 0.23 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1jpr h HIS 124 Cb 0.21 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1jpr h HIS 124 CO 0.01 0.54 -0.11 0.82 -0.00 0.00 0.00 177.93 179.19 1jpr h ILE 125 N 0.87 0.82 -0.10 6.26 2.04 -1.07 -3.11 117.51 123.22 1jpr h ILE 125 Ca 0.23 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1jpr h ILE 125 Cb -0.06 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1jpr h ILE 125 CO -0.05 0.15 -0.11 0.40 0.00 0.00 0.00 178.15 178.55 1jpr h ILE 126 N -0.72 0.69 0.00 -0.67 2.04 -0.53 -1.16 117.51 117.17 1jpr h ILE 126 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jpr h ILE 126 Cb 0.49 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1jpr h ILE 126 CO 0.05 0.00 -0.01 0.08 0.00 0.00 0.00 178.15 178.27 1jpr h ARG 127 N -0.14 0.00 -0.02 2.37 0.11 -0.88 -2.08 114.38 113.74 1jpr h ARG 127 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1jpr h ARG 127 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1jpr h ARG 127 CO -0.18 0.01 -0.18 0.09 0.10 0.00 0.00 179.97 179.81 1jpr n ASN 128 N -3.39 2.09 -0.00 0.08 3.02 -0.50 -4.39 115.26 112.17 1jpr n ASN 128 Ca -0.03 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 1jpr n ASN 128 Cb 0.11 0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1jpr n ASN 128 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1jpr n ILE 129 N 0.39 0.00 -4.33 2.41 -5.35 -0.80 -3.98 119.36 107.70 1jpr n ILE 129 Ca 0.13 -0.27 -0.17 0.00 -0.27 0.00 0.00 62.75 62.17 1jpr n ILE 129 Cb 0.47 0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 39.04 1jpr n ILE 129 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1jpr s VAL 130 N -1.46 1.47 -0.01 7.28 1.01 -0.94 -4.82 120.40 122.94 1jpr s VAL 130 Ca 0.00 -2.13 0.11 0.00 0.00 0.00 0.00 61.98 59.96 1jpr s VAL 130 Cb 0.00 -2.09 -0.17 0.00 0.00 0.00 0.00 36.38 34.11 1jpr s VAL 130 CO 0.00 -0.56 1.01 0.78 0.00 0.00 0.00 175.10 176.33 1jpr h ASN 131 N 2.57 0.00 -3.56 3.32 2.35 -1.89 -3.42 115.58 114.95 1jpr h ASN 131 Ca -0.38 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.75 1jpr h ASN 131 Cb 1.21 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.18 1jpr h ASN 131 CO 0.64 0.88 -0.72 -0.62 -1.65 0.00 0.00 177.43 175.95 1jpr s ASP 132 N -6.32 4.23 0.45 5.81 2.15 -1.26 -4.97 116.67 116.76 1jpr s ASP 132 Ca -0.01 -2.19 0.16 0.00 0.43 0.00 0.00 52.55 50.94 1jpr s ASP 132 Cb 0.09 -1.25 1.10 0.00 -0.30 0.00 0.00 42.92 42.56 1jpr s ASP 132 CO 0.81 -0.35 1.97 -0.65 -0.17 0.00 0.00 175.17 176.78 1jpr h PRO 133 N 7.45 0.32 -0.95 4.34 0.11 -1.88 -2.42 132.00 138.97 1jpr h PRO 133 Ca -0.07 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.16 1jpr h PRO 133 Cb 0.98 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 1jpr h PRO 133 CO 0.52 0.21 0.60 0.77 -0.21 0.00 0.00 178.00 179.89 1jpr h SER 134 N 0.33 0.77 -0.70 -2.05 0.02 -1.99 -0.97 113.55 108.97 1jpr h SER 134 Ca 0.29 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1jpr h SER 134 Cb 0.68 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1jpr h SER 134 CO -0.07 0.38 0.32 0.58 -1.14 0.00 0.00 176.83 176.90 1jpr h VAL 135 N 0.81 1.23 0.61 2.27 2.07 -1.87 -0.32 116.25 121.06 1jpr h VAL 135 Ca 0.49 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1jpr h VAL 135 Cb 0.67 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1jpr h VAL 135 CO -0.25 0.28 -0.29 0.58 0.02 0.00 0.00 177.57 177.91 1jpr h VAL 136 N 0.98 0.36 -0.50 2.57 2.07 -1.35 -2.21 116.25 118.15 1jpr h VAL 136 Ca 0.24 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1jpr h VAL 136 Cb 0.14 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1jpr h VAL 136 CO -0.03 0.02 0.31 -0.26 0.02 0.00 0.00 177.57 177.64 1jpr h PHE 137 N -0.93 0.59 -0.99 1.57 0.04 -1.24 -2.47 116.94 113.51 1jpr h PHE 137 Ca -0.08 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1jpr h PHE 137 Cb 0.66 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 1jpr h PHE 137 CO -0.01 0.35 0.66 -0.44 -0.60 0.00 0.00 178.31 178.27 1jpr h ASP 138 N 0.63 1.12 0.16 2.17 3.32 -1.09 -1.39 116.42 121.34 1jpr h ASP 138 Ca 0.20 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1jpr h ASP 138 Cb -0.02 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1jpr h ASP 138 CO -0.07 0.80 -0.10 -0.78 -1.72 0.00 0.00 179.24 177.37 1jpr h ASP 139 N 1.32 0.00 -0.65 6.45 3.58 -0.94 -2.39 116.42 123.78 1jpr h ASP 139 Ca 0.37 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.85 1jpr h ASP 139 Cb -0.11 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 1jpr h ASP 139 CO -0.09 0.10 0.41 0.40 -2.88 0.00 0.00 179.24 177.18 1jpr h ILE 140 N 0.00 1.09 -0.17 2.25 2.04 -0.93 0.35 117.51 122.14 1jpr h ILE 140 Ca -0.00 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1jpr h ILE 140 Cb 0.21 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1jpr h ILE 140 CO 0.01 0.15 -0.08 0.58 0.00 0.00 0.00 178.15 178.81 1jpr h VAL 141 N 0.80 1.31 0.00 1.67 2.07 -1.48 -3.34 116.25 117.29 1jpr h VAL 141 Ca 0.26 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1jpr h VAL 141 Cb 0.01 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1jpr h VAL 141 CO -0.10 0.33 -0.78 0.71 0.02 0.00 0.00 177.57 177.75 1jpr h THR 142 N 0.04 0.00 -2.11 2.57 1.35 -1.32 -3.47 112.91 109.96 1jpr h THR 142 Ca 0.04 -0.61 -0.54 0.00 -0.55 0.00 0.00 66.41 64.75 1jpr h THR 142 Cb 0.55 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1jpr h THR 142 CO 0.02 0.00 1.44 0.21 -0.25 0.00 0.00 175.52 176.94 1jpr s ASN 143 N -4.46 5.33 0.28 5.36 3.84 0.12 -4.86 114.94 120.56 1jpr s ASN 143 Ca 0.04 1.30 0.02 0.00 0.21 0.00 0.00 52.86 54.43 1jpr s ASN 143 Cb 0.13 -2.52 0.59 0.00 -0.55 0.00 0.00 41.25 38.90 1jpr s ASN 143 CO 0.75 -2.16 1.81 -0.08 -2.79 0.00 0.00 177.10 174.64 1jpr h GLU 144 N 15.41 0.87 -0.04 0.43 4.81 -1.90 -1.01 114.58 133.15 1jpr h GLU 144 Ca -0.33 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.71 1jpr h GLU 144 Cb 1.21 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1jpr h GLU 144 CO 1.07 0.58 -0.60 0.37 -0.73 0.00 0.00 179.01 179.69 1jpr h GLN 145 N 0.90 0.13 -0.05 1.92 5.75 -1.98 0.87 115.11 122.65 1jpr h GLN 145 Ca 0.51 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.90 1jpr h GLN 145 Cb 0.60 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1jpr h GLN 145 CO -0.30 0.69 -0.04 0.82 -2.65 0.00 0.00 178.83 177.35 1jpr h ILE 146 N 0.10 1.36 -0.50 2.39 1.08 -1.70 -2.02 117.51 118.22 1jpr h ILE 146 Ca -0.01 -1.12 -0.05 0.00 -0.39 0.00 0.00 64.86 63.29 1jpr h ILE 146 Cb 1.08 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 36.81 1jpr h ILE 146 CO 0.09 0.30 0.12 1.56 -0.69 0.00 0.00 178.15 179.53 1jpr h GLN 147 N -0.32 0.76 -0.35 2.37 4.20 -1.13 -2.22 115.11 118.41 1jpr h GLN 147 Ca 0.01 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1jpr h GLN 147 Cb 0.51 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1jpr h GLN 147 CO 0.01 0.68 0.23 -0.22 -0.67 0.00 0.00 178.83 178.86 1jpr h LYS 148 N 0.73 0.47 -0.25 1.46 1.63 -0.71 0.25 116.57 120.15 1jpr h LYS 148 Ca 0.16 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1jpr h LYS 148 Cb 0.27 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1jpr h LYS 148 CO -0.00 0.32 -0.02 -0.09 -3.45 0.00 0.00 179.45 176.21 1jpr h ARG 149 N 0.47 0.38 -0.02 1.90 2.43 -1.04 -2.86 114.38 115.64 1jpr h ARG 149 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1jpr h ARG 149 Cb -0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1jpr h ARG 149 CO -0.03 0.43 -0.12 0.00 -1.51 0.00 0.00 179.97 178.74 1jpr n ALA 150 N -2.49 2.79 -1.63 2.80 0.00 -0.87 -4.80 120.51 116.32 1jpr n ALA 150 Ca 0.01 -0.51 -0.52 0.00 0.00 0.00 0.00 53.44 52.41 1jpr n ALA 150 Cb 0.22 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1jpr n ALA 150 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jpr n GLU 151 N 0.20 1.36 0.00 0.00 2.13 0.03 -1.92 120.64 122.43 1jpr n GLU 151 Ca 0.15 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1jpr n GLU 151 Cb 0.42 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1jpr n GLU 151 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jpr n GLY 152 N 3.13 3.00 0.36 8.31 0.00 -1.26 -4.97 105.19 113.76 1jpr n GLY 152 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1jpr n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jpr h ILE 153 N 0.00 0.00 -0.44 -0.61 2.04 -1.79 -1.95 117.51 114.76 1jpr h ILE 153 Ca 0.00 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1jpr h ILE 153 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1jpr h ILE 153 CO 0.00 0.00 0.03 0.77 0.00 0.00 0.00 178.15 178.95 1jpr h SER 154 N -1.16 0.66 -0.41 1.72 4.64 -1.94 -2.62 113.55 114.44 1jpr h SER 154 Ca -0.09 -0.13 0.06 0.00 -0.47 0.00 0.00 61.79 61.16 1jpr h SER 154 Cb 0.67 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1jpr h SER 154 CO 0.15 0.70 0.08 0.28 -0.87 0.00 0.00 176.83 177.17 1jpr h SER 155 N 0.66 -0.00 0.18 4.97 0.02 -1.93 0.16 113.55 117.61 1jpr h SER 155 Ca 0.14 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1jpr h SER 155 Cb 0.36 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1jpr h SER 155 CO 0.01 0.03 -0.22 1.88 -1.14 0.00 0.00 176.83 177.39 1jpr h TYR 156 N 0.20 -0.58 -0.48 3.45 0.05 -1.05 0.25 116.97 118.81 1jpr h TYR 156 Ca 0.20 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 1jpr h TYR 156 Cb 0.24 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 1jpr h TYR 156 CO -0.21 -0.32 0.28 1.88 -1.05 0.00 0.00 178.16 178.74 1jpr h TYR 157 N -0.45 0.64 -0.79 4.88 0.05 -1.17 -1.92 116.97 118.21 1jpr h TYR 157 Ca 0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1jpr h TYR 157 Cb 0.44 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 1jpr h TYR 157 CO -0.18 0.45 0.44 -0.44 -1.05 0.00 0.00 178.16 177.39 1jpr h ASP 158 N 0.64 0.97 -0.39 3.88 3.32 -0.38 -0.78 116.42 123.69 1jpr h ASP 158 Ca 0.17 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1jpr h ASP 158 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1jpr h ASP 158 CO -0.03 0.77 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.58 1jpr h GLU 159 N 1.10 0.93 -0.57 3.56 5.08 -0.76 -1.16 114.58 122.75 1jpr h GLU 159 Ca 0.28 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1jpr h GLU 159 Cb 0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1jpr h GLU 159 CO -0.05 1.13 0.31 1.25 -1.00 0.00 0.00 179.01 180.66 1jpr h LEU 160 N 0.75 0.71 -0.32 1.33 5.85 -1.00 -1.74 115.31 120.89 1jpr h LEU 160 Ca 0.07 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1jpr h LEU 160 Cb 0.95 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1jpr h LEU 160 CO 0.09 0.60 0.16 0.40 -0.34 0.00 0.00 178.44 179.36 1jpr h ILE 161 N 0.77 1.14 -0.52 4.05 2.04 -1.02 0.84 117.51 124.82 1jpr h ILE 161 Ca 0.20 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1jpr h ILE 161 Cb 0.05 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1jpr h ILE 161 CO -0.03 0.15 0.28 -0.08 0.00 0.00 0.00 178.15 178.46 1jpr h GLU 162 N 0.38 0.72 -0.57 2.37 4.81 -1.09 -1.08 114.58 120.13 1jpr h GLU 162 Ca 0.11 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1jpr h GLU 162 Cb 0.09 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1jpr h GLU 162 CO -0.02 0.57 0.11 1.98 -0.73 0.00 0.00 179.01 180.93 1jpr h MET 163 N 0.69 0.89 -0.62 1.92 4.05 -1.13 -1.87 114.93 118.87 1jpr h MET 163 Ca 0.18 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1jpr h MET 163 Cb 0.06 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 1jpr h MET 163 CO -0.03 0.82 0.28 1.15 0.23 0.00 0.00 176.91 179.36 1jpr h THR 164 N 0.85 1.22 -0.19 -0.77 2.02 -0.44 -1.08 112.91 114.53 1jpr h THR 164 Ca 0.18 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1jpr h THR 164 Cb 0.35 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1jpr h THR 164 CO 0.00 0.26 0.12 0.28 0.37 0.00 0.00 175.52 176.55 1jpr h SER 165 N 0.85 0.20 -0.79 4.18 0.02 -0.85 0.10 113.55 117.27 1jpr h SER 165 Ca 0.21 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1jpr h SER 165 Cb 0.14 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1jpr h SER 165 CO -0.02 0.15 0.46 1.88 -1.14 0.00 0.00 176.83 178.16 1jpr h TYR 166 N 0.24 0.85 -0.01 3.45 0.05 -1.20 0.16 116.97 120.52 1jpr h TYR 166 Ca 0.07 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1jpr h TYR 166 Cb -0.02 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 1jpr h TYR 166 CO -0.07 0.41 0.00 2.35 -1.05 0.00 0.00 178.16 179.80 1jpr h TRP 167 N 0.83 0.01 -0.26 4.88 7.01 -0.74 0.92 115.95 128.60 1jpr h TRP 167 Ca 0.35 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.29 1jpr h TRP 167 Cb 0.22 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 1jpr h TRP 167 CO -0.05 0.20 -0.10 0.45 -2.79 0.00 0.00 178.44 176.14 1jpr h HIS 168 N -0.18 0.46 0.05 2.65 3.86 -0.50 0.18 115.15 121.67 1jpr h HIS 168 Ca 0.00 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1jpr h HIS 168 Cb 0.19 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.55 1jpr h HIS 168 CO -0.01 0.53 -0.41 -0.07 0.86 0.00 0.00 177.93 178.83 1jpr h LEU 169 N 0.41 0.27 0.00 2.43 3.38 -0.52 0.71 115.31 121.99 1jpr h LEU 169 Ca 0.08 -0.91 -0.08 0.00 0.09 0.00 0.00 57.88 57.05 1jpr h LEU 169 Cb 0.43 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1jpr h LEU 169 CO 0.02 1.16 -1.97 0.18 0.09 0.00 0.00 178.44 177.92 1jpr n LEU 170 N -4.37 0.00 0.00 1.67 4.77 0.30 -4.79 117.00 114.58 1jpr n LEU 170 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1jpr n LEU 170 Cb 0.63 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1jpr n LEU 170 CO 0.42 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1jpr n GLY 171 N 1.53 -1.51 3.77 -0.72 0.00 0.05 -4.89 105.19 103.43 1jpr n GLY 171 Ca -0.10 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1jpr n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jpr s GLU 172 N -1.45 3.67 0.00 1.61 2.02 -1.26 -4.73 118.70 118.55 1jpr s GLU 172 Ca 0.00 1.72 0.00 0.00 0.02 0.00 0.00 54.97 56.71 1jpr s GLU 172 Cb 0.00 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1jpr s GLU 172 CO 0.00 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.08 1jpr n GLY 173 N 0.35 1.01 3.35 -1.39 0.00 -0.14 -4.96 105.19 103.41 1jpr n GLY 173 Ca 0.08 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 1jpr n GLY 173 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jpr s THR 174 N -1.38 2.99 0.39 2.61 -4.23 -1.26 -1.02 115.64 113.73 1jpr s THR 174 Ca 0.00 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1jpr s THR 174 Cb 0.00 -2.26 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 1jpr s THR 174 CO 0.00 0.52 0.02 -1.00 -0.54 0.00 0.00 174.62 173.62 1jpr s HIS 175 N 0.46 2.43 -0.24 3.99 3.76 0.15 -4.94 115.29 120.89 1jpr s HIS 175 Ca -0.10 -0.71 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 1jpr s HIS 175 Cb -0.16 -1.69 0.05 0.00 1.11 0.00 0.00 32.58 31.89 1jpr s HIS 175 CO 0.05 0.38 -0.12 0.99 -0.85 0.00 0.00 174.74 175.19 1jpr s THR 176 N -2.81 2.02 -0.23 1.30 2.01 -1.26 -0.55 115.64 116.13 1jpr s THR 176 Ca 0.35 -1.42 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1jpr s THR 176 Cb 0.10 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.55 1jpr s THR 176 CO 0.18 0.07 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.35 1jpr s VAL 177 N 1.19 2.03 -1.63 3.82 1.01 0.46 -4.63 120.40 122.66 1jpr s VAL 177 Ca -0.06 -1.33 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 1jpr s VAL 177 Cb -0.18 -2.05 0.13 0.00 0.00 0.00 0.00 36.38 34.27 1jpr s VAL 177 CO -0.07 0.16 0.85 0.59 0.00 0.00 0.00 175.10 176.63 1jpr n ASN 178 N 4.53 -3.78 0.00 3.32 3.02 -1.26 -1.13 115.26 119.97 1jpr n ASN 178 Ca -0.16 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1jpr n ASN 178 Cb 0.45 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 1jpr n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jpr n GLY 179 N -1.53 0.79 3.57 7.41 0.00 -1.26 -5.03 105.19 109.13 1jpr n GLY 179 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1jpr n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jpr s LYS 180 N -0.07 2.32 -0.15 1.61 -0.14 -0.28 -5.08 119.74 117.95 1jpr s LYS 180 Ca 0.00 -0.88 -0.22 0.00 -1.36 0.00 0.00 55.97 53.51 1jpr s LYS 180 Cb 0.00 -2.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.74 1jpr s LYS 180 CO 0.00 0.56 0.67 0.99 -0.76 0.00 0.00 175.35 176.81 1jpr s THR 181 N -1.07 5.01 -0.17 2.17 2.01 -1.26 -0.40 115.64 121.94 1jpr s THR 181 Ca 0.18 1.32 0.01 0.00 0.31 0.00 0.00 61.69 63.52 1jpr s THR 181 Cb -0.11 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1jpr s THR 181 CO 0.10 0.15 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.28 1jpr s VAL 182 N 1.56 2.04 -0.19 3.82 1.01 0.29 -4.94 120.40 123.99 1jpr s VAL 182 Ca 0.33 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 1jpr s VAL 182 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1jpr s VAL 182 CO 0.13 0.54 0.39 -0.89 0.00 0.00 0.00 175.10 175.26 1jpr s THR 183 N 1.15 5.22 -0.31 3.92 2.01 -1.26 -0.68 115.64 125.69 1jpr s THR 183 Ca 0.01 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.70 1jpr s THR 183 Cb -0.14 -3.72 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1jpr s THR 183 CO -0.10 0.28 0.02 -0.69 -0.69 0.00 0.00 174.62 173.45 1jpr s VAL 184 N 1.08 2.99 -0.21 3.82 1.01 -0.19 -5.00 120.40 123.90 1jpr s VAL 184 Ca 0.19 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 1jpr s VAL 184 Cb -0.14 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1jpr s VAL 184 CO 0.07 -0.20 -0.06 -0.55 0.00 0.00 0.00 175.10 174.37 1jpr s SER 185 N 1.31 4.24 0.20 3.32 0.15 -1.26 -0.96 113.70 120.69 1jpr s SER 185 Ca -0.03 -0.39 -0.08 0.00 0.70 0.00 0.00 55.95 56.15 1jpr s SER 185 Cb -0.20 -1.72 0.12 0.00 -1.71 0.00 0.00 66.02 62.51 1jpr s SER 185 CO -0.02 0.01 1.67 0.25 1.20 0.00 0.00 173.24 176.35 1jpr h LEU 186 N 7.92 1.02 -0.62 3.45 5.85 -1.98 -1.58 115.31 129.37 1jpr h LEU 186 Ca -0.40 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.09 1jpr h LEU 186 Cb 1.17 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1jpr h LEU 186 CO 0.60 1.06 0.35 -0.09 -0.34 0.00 0.00 178.44 180.02 1jpr h ARG 187 N 0.97 0.65 -0.51 1.25 2.43 -1.99 0.27 114.38 117.45 1jpr h ARG 187 Ca 0.18 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1jpr h ARG 187 Cb 0.52 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1jpr h ARG 187 CO 0.02 0.43 0.18 1.49 -1.51 0.00 0.00 179.97 180.58 1jpr h GLU 188 N 0.67 0.74 -0.06 0.20 4.57 -1.91 -1.25 114.58 117.53 1jpr h GLU 188 Ca 0.27 -0.12 -0.18 0.00 -1.18 0.00 0.00 59.36 58.15 1jpr h GLU 188 Cb 0.12 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1jpr h GLU 188 CO -0.15 0.63 -0.73 1.25 -1.18 0.00 0.00 179.01 178.83 1jpr h LEU 189 N 0.73 0.40 -0.90 1.64 5.85 -0.59 -0.51 115.31 121.93 1jpr h LEU 189 Ca 0.17 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 1jpr h LEU 189 Cb 0.19 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1jpr h LEU 189 CO -0.01 1.00 -0.16 0.11 -0.34 0.00 0.00 178.44 179.03 1jpr h LYS 190 N 0.23 0.63 -0.43 1.25 1.57 -0.16 0.16 116.57 119.81 1jpr h LYS 190 Ca -0.03 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 1jpr h LYS 190 Cb 1.29 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1jpr h LYS 190 CO 0.12 0.76 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.47 1jpr h LYS 191 N 0.57 0.81 -0.40 3.15 3.64 -0.96 0.79 116.57 124.17 1jpr h LYS 191 Ca 0.09 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1jpr h LYS 191 Cb 0.60 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1jpr h LYS 191 CO 0.04 0.91 0.25 -0.22 -2.27 0.00 0.00 179.45 178.16 1jpr h LYS 192 N 0.64 0.53 -0.31 1.90 1.63 -0.74 -0.30 116.57 119.92 1jpr h LYS 192 Ca 0.11 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1jpr h LYS 192 Cb 0.59 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1jpr h LYS 192 CO 0.04 0.38 0.13 1.25 -3.45 0.00 0.00 179.45 177.80 1jpr h LEU 193 N 0.53 0.41 -0.26 5.20 5.85 -0.77 -0.64 115.31 125.63 1jpr h LEU 193 Ca 0.14 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1jpr h LEU 193 Cb -0.02 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1jpr h LEU 193 CO -0.03 0.45 0.06 0.22 -0.34 0.00 0.00 178.44 178.80 1jpr h TYR 194 N 0.35 0.11 0.00 1.25 3.20 -0.65 -0.99 116.97 120.24 1jpr h TYR 194 Ca 0.10 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1jpr h TYR 194 Cb 0.16 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1jpr h TYR 194 CO -0.01 0.04 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.05 1jpr h LEU 195 N 0.17 0.00 -0.66 2.82 3.38 -1.00 -2.38 115.31 117.63 1jpr h LEU 195 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1jpr h LEU 195 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1jpr h LEU 195 CO -0.15 0.43 0.30 0.00 0.09 0.00 0.00 178.44 179.11 1jpr h LEU 197 N 0.92 0.75 -0.92 0.00 3.38 -0.88 0.55 115.31 119.11 1jpr h LEU 197 Ca 0.22 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1jpr h LEU 197 Cb 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1jpr h LEU 197 CO -0.02 0.71 0.61 -0.03 0.09 0.00 0.00 178.44 179.79 1jpr h MET 198 N 0.73 1.19 -0.65 1.13 4.05 -1.29 0.26 114.93 120.35 1jpr h MET 198 Ca 0.18 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.45 1jpr h MET 198 Cb 0.20 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1jpr h MET 198 CO -0.01 0.79 0.09 0.77 0.23 0.00 0.00 176.91 178.77 1jpr h SER 199 N 1.23 1.05 -0.19 1.39 0.02 -0.64 -0.97 113.55 115.42 1jpr h SER 199 Ca 0.34 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1jpr h SER 199 Cb -0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 1jpr h SER 199 CO -0.08 1.05 -0.25 0.58 -1.14 0.00 0.00 176.83 176.99 1jpr h VAL 200 N 1.02 1.27 -0.85 2.27 2.07 -0.39 -1.09 116.25 120.55 1jpr h VAL 200 Ca 0.20 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1jpr h VAL 200 Cb 0.46 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1jpr h VAL 200 CO 0.02 0.44 0.56 -1.13 0.02 0.00 0.00 177.57 177.47 1jpr h ASN 201 N 0.58 0.95 0.18 0.57 -0.73 0.17 -1.36 115.58 115.93 1jpr h ASN 201 Ca 0.08 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.13 1jpr h ASN 201 Cb 0.72 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1jpr h ASN 201 CO 0.06 0.67 -0.38 0.00 -0.37 0.00 0.00 177.43 177.40 1jpr h ALA 202 N 1.33 1.10 -0.09 1.57 0.00 -0.75 -0.23 119.26 122.19 1jpr h ALA 202 Ca 0.32 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jpr h ALA 202 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jpr h ALA 202 CO -0.09 0.58 -0.01 1.25 0.00 0.00 0.00 179.25 180.98 1jpr h LEU 203 N 0.24 0.17 0.01 0.00 6.46 -0.60 -1.20 115.31 120.39 1jpr h LEU 203 Ca 0.02 -0.34 -0.22 0.00 -0.12 0.00 0.00 57.88 57.23 1jpr h LEU 203 Cb 0.79 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1jpr h LEU 203 CO 0.06 0.47 -1.07 -0.33 -0.62 0.00 0.00 178.44 176.95 1jpr h GLU 204 N -0.13 0.03 0.00 1.25 5.08 -1.21 -1.69 114.58 117.91 1jpr h GLU 204 Ca 0.03 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1jpr h GLU 204 Cb 0.39 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1jpr h GLU 204 CO 0.01 0.99 -1.00 0.00 -1.00 0.00 0.00 179.01 178.01 1jpr h ALA 205 N 0.95 0.46 0.00 3.43 0.00 -1.09 -3.38 119.26 119.63 1jpr h ALA 205 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1jpr h ALA 205 Cb 1.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1jpr h ALA 205 CO 0.13 1.16 -0.25 -0.89 0.00 0.00 0.00 179.25 179.40 1jpr n ILE 206 N -3.28 0.89 -0.32 0.00 5.41 -0.49 -4.57 119.36 117.01 1jpr n ILE 206 Ca -0.02 0.30 -0.04 0.00 1.00 0.00 0.00 62.75 63.99 1jpr n ILE 206 Cb 0.91 -1.54 0.08 0.00 -0.71 0.00 0.00 39.64 38.39 1jpr n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1jpr h ARG 207 N 0.00 1.20 -0.08 0.38 3.08 -1.18 -0.97 114.38 116.81 1jpr h ARG 207 Ca 0.00 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1jpr h ARG 207 Cb 0.25 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1jpr h ARG 207 CO 0.00 0.87 -0.55 0.74 -1.07 0.00 0.00 179.97 179.96 1jpr h PHE 208 N 1.20 0.30 -0.17 3.04 0.04 -1.49 -2.76 116.94 117.09 1jpr h PHE 208 Ca 0.31 -0.10 -0.14 0.00 2.80 0.00 0.00 57.97 60.83 1jpr h PHE 208 Cb 0.01 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1jpr h PHE 208 CO 0.01 0.74 -0.49 1.88 -0.60 0.00 0.00 178.31 179.84 1jpr h TYR 209 N 0.18 0.57 -0.78 -0.55 -1.99 -1.53 -0.23 116.97 112.64 1jpr h TYR 209 Ca 0.00 -0.18 -0.05 0.00 2.00 0.00 0.00 58.73 60.50 1jpr h TYR 209 Cb 1.03 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.61 1jpr h TYR 209 CO 0.02 0.86 0.31 0.28 -0.00 0.00 0.00 178.16 179.64 1jpr h VAL 210 N 0.37 1.26 -0.38 -2.88 2.07 -1.14 -1.16 116.25 114.39 1jpr h VAL 210 Ca 0.02 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1jpr h VAL 210 Cb 0.99 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1jpr h VAL 210 CO 0.09 0.33 -0.16 0.77 0.02 0.00 0.00 177.57 178.62 1jpr h SER 211 N 1.14 0.69 -0.60 0.57 4.64 -1.17 -2.38 113.55 116.45 1jpr h SER 211 Ca 0.26 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1jpr h SER 211 Cb 0.21 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1jpr h SER 211 CO -0.02 0.86 0.20 -0.26 -0.87 0.00 0.00 176.83 176.74 1jpr h PHE 212 N 0.62 0.95 -0.43 4.77 0.04 -0.37 -1.64 116.94 120.88 1jpr h PHE 212 Ca 0.10 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1jpr h PHE 212 Cb 0.62 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 1jpr h PHE 212 CO 0.03 0.78 0.22 0.00 -0.60 0.00 0.00 178.31 178.74 1jpr h ALA 213 N 1.07 0.54 -0.46 2.45 0.00 -1.03 0.23 119.26 122.07 1jpr h ALA 213 Ca 0.19 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jpr h ALA 213 Cb 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jpr h ALA 213 CO -0.01 -0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.35 1jpr h SER 215 N 0.47 0.44 0.75 0.00 0.02 -0.66 -2.70 113.55 111.87 1jpr h SER 215 Ca 0.20 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1jpr h SER 215 Cb 0.09 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1jpr h SER 215 CO -0.13 0.38 0.00 -0.26 -1.14 0.00 0.00 176.83 175.68 1jpr h PHE 216 N 0.47 0.00 0.00 3.45 0.04 -0.81 -2.21 116.94 117.88 1jpr h PHE 216 Ca 0.13 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1jpr h PHE 216 Cb 0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1jpr h PHE 216 CO -0.03 0.00 -0.14 0.00 -0.60 0.00 0.00 178.31 177.53 1jpr h ALA 217 N 2.02 1.70 0.14 2.45 0.00 -0.95 0.13 119.26 124.75 1jpr h ALA 217 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 1jpr h ALA 217 Cb 0.37 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1jpr h ALA 217 CO 0.00 0.18 -1.25 0.74 0.00 0.00 0.00 179.25 178.91 1jpr h PHE 218 N 0.00 0.79 -0.54 0.00 0.04 -1.49 -3.23 116.94 112.51 1jpr h PHE 218 Ca -0.00 -0.53 -0.04 0.00 2.80 0.00 0.00 57.97 60.20 1jpr h PHE 218 Cb 0.26 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1jpr h PHE 218 CO 0.00 1.39 0.16 0.00 -0.60 0.00 0.00 178.31 179.26 1jpr h ALA 219 N 0.42 1.27 0.00 2.45 0.00 -1.26 -1.38 119.26 120.75 1jpr h ALA 219 Ca -0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jpr h ALA 219 Cb 1.94 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1jpr h ALA 219 CO 0.23 0.52 -0.02 0.93 0.00 0.00 0.00 179.25 180.90 1jpr h GLU 220 N 0.79 0.00 -0.06 0.00 4.39 -0.80 -0.12 114.58 118.79 1jpr h GLU 220 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1jpr h GLU 220 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1jpr h GLU 220 CO -0.01 0.02 0.00 0.54 -1.16 0.00 0.00 179.01 178.41 1jpr n ARG 221 N -3.47 1.67 -2.07 2.33 1.74 -0.57 -4.92 116.66 111.36 1jpr n ARG 221 Ca -0.03 -0.98 -0.10 0.00 -0.77 0.00 0.00 57.85 55.98 1jpr n ARG 221 Cb 0.12 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 1jpr n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jpr n GLU 222 N 0.19 -0.76 -4.46 5.56 1.02 -0.06 -5.03 120.64 117.11 1jpr n GLU 222 Ca 0.18 0.51 -0.24 0.00 -0.02 0.00 0.00 57.16 57.59 1jpr n GLU 222 Cb 0.34 -4.53 -0.10 0.00 -0.02 0.00 0.00 31.44 27.13 1jpr n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jpr s LEU 223 N -2.69 2.55 -1.24 -4.62 1.43 -0.88 -4.80 118.68 108.43 1jpr s LEU 223 Ca 0.00 -0.99 -0.08 0.00 -1.03 0.00 0.00 54.13 52.03 1jpr s LEU 223 Cb 0.00 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1jpr s LEU 223 CO 0.00 0.05 0.71 0.23 0.23 0.00 0.00 176.35 177.57 1jpr n MET 224 N -0.41 -3.14 0.14 1.70 2.81 -1.26 -3.48 117.12 113.47 1jpr n MET 224 Ca -0.07 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1jpr n MET 224 Cb 0.59 -4.79 0.16 0.00 -0.71 0.00 0.00 33.22 28.48 1jpr n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1jpr h GLU 225 N -1.79 0.00 -0.10 0.03 4.39 -1.93 -1.11 114.58 114.07 1jpr h GLU 225 Ca -0.63 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.04 1jpr h GLU 225 Cb 1.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1jpr h GLU 225 CO 0.53 0.59 -0.03 0.78 -1.16 0.00 0.00 179.01 179.72 1jpr h GLY 226 N 2.27 0.22 0.74 -3.84 0.00 -1.90 -1.66 103.07 98.90 1jpr h GLY 226 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.19 1jpr h GLY 226 CO 0.08 0.17 0.44 -0.57 0.00 0.00 0.00 176.54 176.66 1jpr h ASN 227 N -0.13 0.69 -0.56 0.19 -1.24 -1.86 -2.01 115.58 110.67 1jpr h ASN 227 Ca 0.03 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 1jpr h ASN 227 Cb 0.45 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 1jpr h ASN 227 CO 0.01 0.45 0.16 0.00 -1.29 0.00 0.00 177.43 176.76 1jpr h ALA 228 N 1.35 1.15 -0.65 1.57 0.00 -1.07 0.16 119.26 121.78 1jpr h ALA 228 Ca 0.32 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1jpr h ALA 228 Cb 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1jpr h ALA 228 CO -0.16 0.58 0.15 0.87 0.00 0.00 0.00 179.25 180.68 1jpr h LYS 229 N 0.89 1.04 -0.13 0.00 1.57 -0.66 0.19 116.57 119.48 1jpr h LYS 229 Ca 0.20 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1jpr h LYS 229 Cb 0.30 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1jpr h LYS 229 CO -0.00 0.94 -0.01 0.82 -0.57 0.00 0.00 179.45 180.63 1jpr h ILE 230 N 0.96 1.26 -0.55 1.86 2.04 -0.82 -2.03 117.51 120.23 1jpr h ILE 230 Ca 0.20 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1jpr h ILE 230 Cb 0.38 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1jpr h ILE 230 CO 0.00 0.25 0.34 0.40 0.00 0.00 0.00 178.15 179.15 1jpr h ILE 231 N -0.04 1.15 -0.82 -0.67 1.08 -0.57 0.25 117.51 117.90 1jpr h ILE 231 Ca 0.04 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1jpr h ILE 231 Cb 0.39 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 1jpr h ILE 231 CO 0.01 0.16 0.39 0.03 -0.69 0.00 0.00 178.15 178.04 1jpr h ARG 232 N 0.75 1.18 -0.44 2.37 3.08 -0.72 0.25 114.38 120.85 1jpr h ARG 232 Ca 0.20 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1jpr h ARG 232 Cb -0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1jpr h ARG 232 CO -0.04 0.91 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.56 1jpr h LEU 233 N 1.16 0.89 -0.48 3.04 3.38 -0.50 -2.37 115.31 120.43 1jpr h LEU 233 Ca 0.28 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1jpr h LEU 233 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1jpr h LEU 233 CO -0.03 1.07 0.20 0.40 0.09 0.00 0.00 178.44 180.16 1jpr h ILE 234 N 0.71 1.21 -0.36 1.22 2.04 -0.30 -2.43 117.51 119.61 1jpr h ILE 234 Ca 0.11 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1jpr h ILE 234 Cb 0.69 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1jpr h ILE 234 CO 0.05 0.24 0.17 0.00 0.00 0.00 0.00 178.15 178.61 1jpr h ALA 235 N 1.05 1.63 -0.41 1.87 0.00 -0.41 0.17 119.26 123.16 1jpr h ALA 235 Ca 0.16 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jpr h ALA 235 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jpr h ALA 235 CO -0.01 0.30 -0.20 -0.09 0.00 0.00 0.00 179.25 179.25 1jpr h ARG 236 N 0.49 0.79 -0.18 0.00 2.43 -1.10 -0.86 114.38 115.95 1jpr h ARG 236 Ca 0.13 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 58.88 1jpr h ARG 236 Cb 0.06 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1jpr h ARG 236 CO -0.02 0.92 -0.31 -0.44 -1.51 0.00 0.00 179.97 178.62 1jpr h ASP 237 N 0.69 0.58 -0.45 -3.80 3.32 -0.80 -3.12 116.42 112.85 1jpr h ASP 237 Ca 0.10 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.63 1jpr h ASP 237 Cb 0.71 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1jpr h ASP 237 CO 0.05 1.01 0.30 -0.33 -1.72 0.00 0.00 179.24 178.55 1jpr h GLU 238 N 0.18 0.56 -0.90 3.56 4.39 -0.48 -1.14 114.58 120.74 1jpr h GLU 238 Ca 0.01 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1jpr h GLU 238 Cb 0.90 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 1jpr h GLU 238 CO 0.07 0.37 0.59 0.00 -1.16 0.00 0.00 179.01 178.88 1jpr h ALA 239 N 1.73 1.47 -0.27 3.43 0.00 -1.10 0.01 119.26 124.53 1jpr h ALA 239 Ca 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1jpr h ALA 239 Cb -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1jpr h ALA 239 CO -0.04 0.42 -0.49 -0.07 0.00 0.00 0.00 179.25 179.07 1jpr h LEU 240 N 1.08 0.90 -0.73 0.00 3.38 -1.24 -2.31 115.31 116.38 1jpr h LEU 240 Ca 0.37 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1jpr h LEU 240 Cb 0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1jpr h LEU 240 CO -0.13 1.26 0.48 0.45 0.09 0.00 0.00 178.44 180.59 1jpr h HIS 241 N 0.57 0.91 0.00 1.13 3.86 -0.60 -0.18 115.15 120.83 1jpr h HIS 241 Ca 0.02 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 1jpr h HIS 241 Cb 1.09 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1jpr h HIS 241 CO 0.08 0.56 -0.33 1.37 0.86 0.00 0.00 177.93 180.47 1jpr h LEU 242 N 0.97 0.00 -0.50 2.43 8.10 -1.05 -1.95 115.31 123.31 1jpr h LEU 242 Ca 0.27 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.16 1jpr h LEU 242 Cb -0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.11 1jpr h LEU 242 CO -0.07 0.33 -0.09 0.74 -4.11 0.00 0.00 178.44 175.24 1jpr h THR 243 N 0.00 1.27 -0.16 0.15 2.02 -0.82 -0.63 112.91 114.74 1jpr h THR 243 Ca -0.00 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1jpr h THR 243 Cb 1.03 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1jpr h THR 243 CO 0.04 0.43 0.08 1.23 0.37 0.00 0.00 175.52 177.67 1jpr h GLY 244 N 0.80 0.24 1.74 2.16 0.00 -0.64 -0.81 103.07 106.56 1jpr h GLY 244 Ca 0.13 -0.12 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 1jpr h GLY 244 CO 0.04 0.11 -0.62 -0.91 0.00 0.00 0.00 176.54 175.16 1jpr h THR 245 N 0.14 1.39 -0.75 4.70 1.35 -1.26 -1.44 112.91 117.04 1jpr h THR 245 Ca 0.06 -2.01 -0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1jpr h THR 245 Cb 0.10 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1jpr h THR 245 CO -0.01 0.60 0.46 1.56 -0.25 0.00 0.00 175.52 177.87 1jpr h GLN 246 N 0.20 1.02 -0.40 4.72 4.20 -0.94 -0.78 115.11 123.13 1jpr h GLN 246 Ca -0.01 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1jpr h GLN 246 Cb 1.14 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1jpr h GLN 246 CO 0.10 0.72 -0.32 0.45 -0.67 0.00 0.00 178.83 179.10 1jpr h HIS 247 N 1.03 1.10 -0.18 2.96 3.86 -0.95 -0.67 115.15 122.30 1jpr h HIS 247 Ca 0.27 -0.31 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1jpr h HIS 247 Cb -0.04 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.15 1jpr h HIS 247 CO -0.01 1.13 -0.06 0.52 0.86 0.00 0.00 177.93 180.37 1jpr h MET 248 N 0.75 -0.02 -0.27 2.45 2.86 -1.03 0.14 114.93 119.80 1jpr h MET 248 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1jpr h MET 248 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1jpr h MET 248 CO 0.08 -0.01 0.08 -0.07 1.06 0.00 0.00 176.91 178.06 1jpr h LEU 249 N -0.02 0.39 -0.75 1.22 3.38 -1.08 -1.45 115.31 117.00 1jpr h LEU 249 Ca 0.09 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1jpr h LEU 249 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1jpr h LEU 249 CO -0.19 0.49 -0.32 0.78 0.09 0.00 0.00 178.44 179.28 1jpr h ASN 250 N 0.27 0.60 -0.67 -0.43 -0.26 -1.05 0.17 115.58 114.22 1jpr h ASN 250 Ca 0.09 -0.24 -0.04 0.00 -0.56 0.00 0.00 56.30 55.55 1jpr h ASN 250 Cb 0.24 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 1jpr h ASN 250 CO -0.00 0.88 0.26 -0.07 -1.06 0.00 0.00 177.43 177.44 1jpr h LEU 251 N 0.49 0.92 -0.64 1.61 3.38 -0.58 -1.79 115.31 118.71 1jpr h LEU 251 Ca 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1jpr h LEU 251 Cb 0.80 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1jpr h LEU 251 CO 0.07 0.85 0.27 -0.07 0.09 0.00 0.00 178.44 179.64 1jpr h LEU 252 N 0.94 0.87 -1.57 1.67 3.38 -0.94 -2.62 115.31 117.04 1jpr h LEU 252 Ca 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1jpr h LEU 252 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1jpr h LEU 252 CO -0.02 0.79 -0.16 -0.09 0.09 0.00 0.00 178.44 179.05 1jpr h ARG 253 N 0.89 0.07 0.00 1.13 9.65 -0.70 -2.99 114.38 122.43 1jpr h ARG 253 Ca 0.22 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1jpr h ARG 253 Cb 0.18 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1jpr h ARG 253 CO -0.02 0.24 0.00 0.66 2.80 0.00 0.00 179.97 183.65 1jpr h SER 254 N 0.07 0.00 0.00 -3.80 4.64 -0.93 -3.45 113.55 110.08 1jpr h SER 254 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jpr h SER 254 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jpr h SER 254 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1jpr n GLY 255 N -0.23 0.82 0.02 -0.77 0.00 -1.14 -4.89 105.19 99.01 1jpr n GLY 255 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1jpr n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpr n ALA 256 N 0.61 2.81 -2.29 4.61 0.00 -1.26 -4.64 120.51 120.36 1jpr n ALA 256 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1jpr n ALA 256 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1jpr n ALA 256 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jpr n ASP 257 N -1.67 0.00 -4.65 0.00 2.03 -1.26 -4.98 116.55 106.02 1jpr n ASP 257 Ca 0.06 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.93 1jpr n ASP 257 Cb 0.36 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.73 1jpr n ASP 257 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1jpr n ASP 258 N 0.00 3.84 -0.11 1.67 -0.08 -1.26 -4.86 116.55 115.74 1jpr n ASP 258 Ca 0.00 0.83 0.08 0.00 -1.51 0.00 0.00 54.79 54.19 1jpr n ASP 258 Cb 0.00 -1.48 0.42 0.00 2.34 0.00 0.00 41.12 42.40 1jpr n ASP 258 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jpr h PRO 259 N 10.78 0.58 -0.24 -0.67 0.11 -1.94 -1.89 132.00 138.73 1jpr h PRO 259 Ca -0.48 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1jpr h PRO 259 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1jpr h PRO 259 CO 0.95 0.38 -0.00 1.49 -0.21 0.00 0.00 178.00 180.61 1jpr h GLU 260 N 0.59 0.36 -0.20 1.05 4.81 -1.97 -1.87 114.58 117.35 1jpr h GLU 260 Ca 0.27 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1jpr h GLU 260 Cb 0.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1jpr h GLU 260 CO -0.08 0.39 -0.29 0.52 -0.73 0.00 0.00 179.01 178.82 1jpr h MET 261 N 0.35 0.39 -0.43 1.92 2.86 -1.66 -0.97 114.93 117.39 1jpr h MET 261 Ca 0.08 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.45 1jpr h MET 261 Cb 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1jpr h MET 261 CO 0.01 0.65 -0.20 0.00 1.06 0.00 0.00 176.91 178.43 1jpr h ALA 262 N 1.35 0.83 -0.32 6.32 0.00 -1.25 -0.07 119.26 126.11 1jpr h ALA 262 Ca 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1jpr h ALA 262 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jpr h ALA 262 CO 0.05 0.64 0.11 0.93 0.00 0.00 0.00 179.25 180.99 1jpr h GLU 263 N 0.75 0.49 -0.35 0.00 5.08 -1.09 -2.36 114.58 117.09 1jpr h GLU 263 Ca 0.10 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1jpr h GLU 263 Cb 0.73 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1jpr h GLU 263 CO 0.06 0.51 0.19 0.82 -1.00 0.00 0.00 179.01 179.59 1jpr h ILE 264 N 0.36 1.15 -0.83 3.13 2.04 -1.10 0.91 117.51 123.17 1jpr h ILE 264 Ca 0.10 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1jpr h ILE 264 Cb 0.22 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1jpr h ILE 264 CO -0.01 0.16 0.51 0.00 0.00 0.00 0.00 178.15 178.81 1jpr h ALA 265 N 1.05 1.14 -0.15 1.87 0.00 -0.86 0.32 119.26 122.63 1jpr h ALA 265 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jpr h ALA 265 Cb 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jpr h ALA 265 CO -0.02 0.26 -0.12 1.49 0.00 0.00 0.00 179.25 180.86 1jpr h GLU 266 N 0.94 0.35 -0.07 0.00 4.57 -1.14 -2.77 114.58 116.46 1jpr h GLU 266 Ca 0.36 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1jpr h GLU 266 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1jpr h GLU 266 CO -0.17 0.71 -0.34 1.49 -1.18 0.00 0.00 179.01 179.52 1jpr h GLU 267 N -0.00 0.14 -0.67 1.92 4.81 -0.34 -2.84 114.58 117.59 1jpr h GLU 267 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1jpr h GLU 267 Cb 0.64 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1jpr h GLU 267 CO 0.03 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.78 1jpr h LYS 269 N 4.06 0.34 -0.08 0.00 3.64 -1.23 -0.14 116.57 123.16 1jpr h LYS 269 Ca 0.00 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1jpr h LYS 269 Cb 1.37 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1jpr h LYS 269 CO 0.20 0.22 -0.71 0.37 -2.27 0.00 0.00 179.45 177.26 1jpr h GLN 270 N 0.35 0.38 -0.53 1.90 5.75 -1.86 -2.00 115.11 119.10 1jpr h GLN 270 Ca 0.46 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1jpr h GLN 270 Cb 1.24 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 1jpr h GLN 270 CO -0.16 0.94 0.01 0.93 -2.65 0.00 0.00 178.83 177.91 1jpr h GLU 271 N 0.26 0.89 0.03 1.69 3.07 -1.41 0.14 114.58 119.26 1jpr h GLU 271 Ca -0.03 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1jpr h GLU 271 Cb 1.28 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1jpr h GLU 271 CO 0.12 0.88 -0.01 0.00 -1.40 0.00 0.00 179.01 178.60 1jpr h TYR 273 N -0.07 0.18 -0.57 0.00 5.03 -1.13 -2.66 116.97 117.75 1jpr h TYR 273 Ca -0.00 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 1jpr h TYR 273 Cb 0.06 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 1jpr h TYR 273 CO -0.07 0.04 0.19 -0.44 -1.32 0.00 0.00 178.16 176.56 1jpr h ASP 274 N 0.25 0.78 0.46 -2.11 3.32 -0.53 -1.57 116.42 117.03 1jpr h ASP 274 Ca 0.21 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1jpr h ASP 274 Cb 0.24 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1jpr h ASP 274 CO -0.25 0.73 -0.53 0.17 -1.72 0.00 0.00 179.24 177.63 1jpr h LEU 275 N 0.83 0.09 -0.24 1.55 8.10 -1.08 -0.60 115.31 123.97 1jpr h LEU 275 Ca 0.19 -0.04 -0.12 0.00 0.11 0.00 0.00 57.88 58.01 1jpr h LEU 275 Cb 0.22 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.42 1jpr h LEU 275 CO -0.01 0.61 -0.33 -0.26 -4.11 0.00 0.00 178.44 174.33 1jpr h PHE 276 N 0.06 0.79 -0.88 0.17 0.04 -1.10 -1.13 116.94 114.89 1jpr h PHE 276 Ca -0.00 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.52 1jpr h PHE 276 Cb 0.97 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1jpr h PHE 276 CO 0.01 1.00 0.58 0.28 -0.60 0.00 0.00 178.31 179.59 1jpr h VAL 277 N 0.35 1.22 -0.44 -0.55 2.07 -1.14 -1.03 116.25 116.73 1jpr h VAL 277 Ca 0.03 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1jpr h VAL 277 Cb 0.91 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1jpr h VAL 277 CO 0.08 0.22 -0.26 -0.61 0.02 0.00 0.00 177.57 177.01 1jpr h GLN 278 N 1.19 0.96 -0.61 1.57 4.15 -1.01 -1.99 115.11 119.37 1jpr h GLN 278 Ca 0.33 -0.44 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1jpr h GLN 278 Cb -0.13 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1jpr h GLN 278 CO -0.07 1.11 0.11 0.00 -1.93 0.00 0.00 178.83 178.05 1jpr h ALA 279 N 0.83 1.05 -0.60 3.38 0.00 -0.81 -1.03 119.26 122.08 1jpr h ALA 279 Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1jpr h ALA 279 Cb 0.84 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1jpr h ALA 279 CO 0.07 0.61 0.22 0.00 0.00 0.00 0.00 179.25 180.16 1jpr h ALA 280 N 1.20 0.79 -0.58 0.00 0.00 -1.09 -1.30 119.26 118.28 1jpr h ALA 280 Ca 0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1jpr h ALA 280 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1jpr h ALA 280 CO 0.01 0.42 0.10 0.37 0.00 0.00 0.00 179.25 180.15 1jpr h GLN 281 N 0.85 0.92 -0.74 0.00 5.75 -0.98 -1.16 115.11 119.74 1jpr h GLN 281 Ca 0.20 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1jpr h GLN 281 Cb 0.24 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1jpr h GLN 281 CO -0.01 0.85 0.25 1.96 -2.65 0.00 0.00 178.83 179.22 1jpr h GLN 282 N 0.87 1.15 -0.49 1.69 4.20 -0.73 0.76 115.11 122.56 1jpr h GLN 282 Ca 0.18 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1jpr h GLN 282 Cb 0.37 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1jpr h GLN 282 CO 0.01 0.97 -0.03 0.93 -0.67 0.00 0.00 178.83 180.03 1jpr h GLU 283 N 1.10 0.84 -0.21 1.46 4.39 -0.94 -2.37 114.58 118.84 1jpr h GLU 283 Ca 0.24 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1jpr h GLU 283 Cb 0.29 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1jpr h GLU 283 CO -0.01 0.86 -0.02 0.87 -1.16 0.00 0.00 179.01 179.55 1jpr h LYS 284 N 0.77 0.39 -0.13 2.33 1.57 -0.84 -3.11 116.57 117.55 1jpr h LYS 284 Ca 0.14 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1jpr h LYS 284 Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1jpr h LYS 284 CO 0.03 0.61 0.11 -0.44 -0.57 0.00 0.00 179.45 179.19 1jpr h ASP 285 N 0.14 0.00 0.10 0.86 3.32 -0.64 -1.49 116.42 118.71 1jpr h ASP 285 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1jpr h ASP 285 Cb 0.44 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1jpr h ASP 285 CO 0.01 0.00 -0.08 -0.25 -1.72 0.00 0.00 179.24 177.21 1jpr h TRP 286 N 0.00 0.00 -0.98 4.55 2.91 -1.36 -2.99 115.95 118.09 1jpr h TRP 286 Ca 0.06 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.20 1jpr h TRP 286 Cb 0.29 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 28.86 1jpr h TRP 286 CO 0.00 0.08 0.61 0.00 -1.03 0.00 0.00 178.44 178.10 1jpr h ALA 287 N 1.92 1.45 -0.98 2.65 0.00 -1.39 0.22 119.26 123.14 1jpr h ALA 287 Ca -0.00 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1jpr h ALA 287 Cb 0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1jpr h ALA 287 CO 0.01 0.22 0.62 -0.44 0.00 0.00 0.00 179.25 179.67 1jpr h ASP 288 N 0.97 0.93 0.07 0.00 3.32 -1.72 0.14 116.42 120.14 1jpr h ASP 288 Ca 0.48 0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.38 1jpr h ASP 288 Cb 0.45 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.85 1jpr h ASP 288 CO -0.26 0.55 -0.73 0.22 -1.72 0.00 0.00 179.24 177.30 1jpr h TYR 289 N 1.03 0.61 -0.70 4.55 3.20 -1.47 -2.72 116.97 121.47 1jpr h TYR 289 Ca 0.45 -0.38 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1jpr h TYR 289 Cb 0.36 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 1jpr h TYR 289 CO -0.00 1.23 0.39 1.25 -1.64 0.00 0.00 178.16 179.39 1jpr h LEU 290 N -0.19 0.58 -3.61 2.82 5.85 -0.35 -2.54 115.31 117.87 1jpr h LEU 290 Ca -0.11 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 1jpr h LEU 290 Cb 1.49 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.32 1jpr h LEU 290 CO 0.14 0.37 0.19 0.49 -0.34 0.00 0.00 178.44 179.29 1jpr n PHE 291 N -4.77 2.01 -0.30 1.25 3.72 0.44 -4.47 117.46 115.33 1jpr n PHE 291 Ca 0.09 -1.23 0.06 0.00 -0.05 0.00 0.00 57.45 56.32 1jpr n PHE 291 Cb 0.18 -0.60 0.21 0.00 -0.94 0.00 0.00 39.48 38.33 1jpr n PHE 291 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1jpr h ARG 292 N 2.21 0.70 -0.66 -1.08 1.12 -1.11 -1.59 114.38 113.97 1jpr h ARG 292 Ca 0.23 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 1jpr h ARG 292 Cb 2.10 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.90 1jpr h ARG 292 CO 0.61 0.47 0.00 -0.25 -3.11 0.00 0.00 179.97 177.69 1jpr n ASP 293 N -4.79 3.83 0.00 -3.80 8.00 -1.26 -5.03 116.55 113.50 1jpr n ASP 293 Ca 0.16 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1jpr n ASP 293 Cb 0.38 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1jpr n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jpr n GLY 294 N 1.40 3.86 0.00 0.44 0.00 -0.60 -4.72 105.19 105.57 1jpr n GLY 294 Ca 0.23 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1jpr n GLY 294 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jpr n SER 295 N 0.00 0.76 -4.25 1.61 3.41 -1.26 -4.59 113.62 109.30 1jpr n SER 295 Ca 0.00 -0.78 -0.14 0.00 -0.26 0.00 0.00 58.87 57.68 1jpr n SER 295 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1jpr n SER 295 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1jpr s MET 296 N -1.09 1.07 0.19 4.33 -1.94 -0.24 -4.98 119.30 116.64 1jpr s MET 296 Ca 0.00 -1.46 -0.32 0.00 -1.71 0.00 0.00 55.69 52.20 1jpr s MET 296 Cb 0.00 -0.60 -0.12 0.00 2.01 0.00 0.00 34.83 36.13 1jpr s MET 296 CO 0.00 0.06 1.74 -0.89 -0.01 0.00 0.00 175.02 175.92 1jpr n ILE 297 N -0.20 0.06 -0.93 2.53 2.08 -1.26 -1.92 119.36 119.72 1jpr n ILE 297 Ca -0.10 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1jpr n ILE 297 Cb 0.61 -2.01 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 1jpr n ILE 297 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1jpr n GLY 298 N 4.01 0.81 2.79 7.39 0.00 -1.26 -4.96 105.19 113.97 1jpr n GLY 298 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1jpr n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jpr s LEU 299 N 0.00 -0.25 0.39 0.99 2.96 -0.81 -5.00 118.68 116.97 1jpr s LEU 299 Ca 0.00 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.59 1jpr s LEU 299 Cb 0.00 0.57 0.04 0.00 0.50 0.00 0.00 46.19 47.30 1jpr s LEU 299 CO 0.00 -0.33 0.68 0.54 -1.32 0.00 0.00 176.35 175.92 1jpr s ASN 300 N 2.38 0.44 0.27 3.68 2.20 -1.26 -1.08 114.94 121.57 1jpr s ASN 300 Ca 0.09 -1.35 -0.03 0.00 -0.94 0.00 0.00 52.86 50.63 1jpr s ASN 300 Cb -0.15 0.80 0.39 0.00 -2.00 0.00 0.00 41.25 40.29 1jpr s ASN 300 CO -0.17 -1.59 1.91 0.50 -2.94 0.00 0.00 177.10 174.81 1jpr h LYS 301 N 2.02 1.16 -0.49 3.55 3.64 -1.98 -1.37 116.57 123.11 1jpr h LYS 301 Ca -0.32 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1jpr h LYS 301 Cb 1.25 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1jpr h LYS 301 CO 0.41 0.77 0.09 -0.44 -2.27 0.00 0.00 179.45 178.01 1jpr h ASP 302 N 1.20 0.78 -0.62 4.20 5.19 -1.99 -0.28 116.42 124.89 1jpr h ASP 302 Ca 0.40 -0.26 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 1jpr h ASP 302 Cb 0.07 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 1jpr h ASP 302 CO -0.14 0.83 0.04 0.40 -3.12 0.00 0.00 179.24 177.26 1jpr h ILE 303 N 0.69 1.26 -0.52 0.35 2.04 -1.90 -1.43 117.51 118.01 1jpr h ILE 303 Ca 0.15 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 1jpr h ILE 303 Cb 0.38 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1jpr h ILE 303 CO 0.01 0.41 0.17 0.25 0.00 0.00 0.00 178.15 178.99 1jpr h LEU 304 N 0.99 0.75 -0.51 1.44 5.85 -1.05 -0.69 115.31 122.08 1jpr h LEU 304 Ca 0.18 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1jpr h LEU 304 Cb 0.51 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1jpr h LEU 304 CO 0.02 0.74 0.20 0.00 -0.34 0.00 0.00 178.44 179.07 1jpr h GLN 306 N 0.69 1.16 -0.36 0.00 4.20 -0.86 -2.42 115.11 117.52 1jpr h GLN 306 Ca 0.17 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 1jpr h GLN 306 Cb 0.21 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1jpr h GLN 306 CO -0.01 0.92 -0.34 -0.92 -0.67 0.00 0.00 178.83 177.81 1jpr h TYR 307 N 1.13 0.97 -0.55 2.96 3.20 -0.69 -0.77 116.97 123.22 1jpr h TYR 307 Ca 0.27 -0.27 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1jpr h TYR 307 Cb 0.17 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1jpr h TYR 307 CO 0.02 1.04 0.27 0.28 -1.64 0.00 0.00 178.16 178.13 1jpr h VAL 308 N 0.69 0.92 -0.45 1.81 2.07 -0.84 -0.06 116.25 120.39 1jpr h VAL 308 Ca 0.07 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1jpr h VAL 308 Cb 0.89 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1jpr h VAL 308 CO 0.08 0.09 0.07 -0.33 0.02 0.00 0.00 177.57 177.51 1jpr h GLU 309 N 0.51 0.75 0.21 1.57 5.08 -1.02 0.24 114.58 121.93 1jpr h GLU 309 Ca 0.25 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1jpr h GLU 309 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1jpr h GLU 309 CO -0.19 0.77 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.50 1jpr h TYR 310 N 0.61 -0.46 -0.06 4.33 3.20 -0.73 -2.41 116.97 121.46 1jpr h TYR 310 Ca 0.14 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.85 1jpr h TYR 310 Cb 0.39 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1jpr h TYR 310 CO 0.03 -0.27 -0.67 0.97 -1.64 0.00 0.00 178.16 176.57 1jpr h ILE 311 N -0.40 1.41 -0.36 1.81 6.09 -0.91 -2.78 117.51 122.36 1jpr h ILE 311 Ca -0.01 -2.13 -0.01 0.00 -1.37 0.00 0.00 64.86 61.34 1jpr h ILE 311 Cb 0.37 2.11 -0.02 0.00 0.47 0.00 0.00 36.82 39.75 1jpr h ILE 311 CO -0.02 0.63 0.18 0.74 -3.07 0.00 0.00 178.15 176.61 1jpr h THR 312 N 0.18 1.16 -0.57 2.19 2.02 -0.91 -0.75 112.91 116.22 1jpr h THR 312 Ca -0.02 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 66.77 1jpr h THR 312 Cb 1.21 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1jpr h THR 312 CO 0.11 0.16 0.33 0.78 0.37 0.00 0.00 175.52 177.27 1jpr h ASN 313 N 0.45 0.51 -0.09 4.18 2.35 -1.36 -0.19 115.58 121.44 1jpr h ASN 313 Ca 0.13 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1jpr h ASN 313 Cb 0.09 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1jpr h ASN 313 CO -0.02 0.35 0.01 0.40 -1.65 0.00 0.00 177.43 176.52 1jpr h ILE 314 N 0.63 0.95 -0.53 2.81 2.04 -1.18 -1.62 117.51 120.61 1jpr h ILE 314 Ca 0.24 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 66.01 1jpr h ILE 314 Cb 0.08 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1jpr h ILE 314 CO -0.13 0.01 0.02 0.03 0.00 0.00 0.00 178.15 178.08 1jpr h ARG 315 N 0.04 0.89 -0.50 2.37 2.47 -0.79 -2.64 114.38 116.23 1jpr h ARG 315 Ca 0.04 -0.25 -0.12 0.00 -1.26 0.00 0.00 59.98 58.39 1jpr h ARG 315 Cb 0.04 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1jpr h ARG 315 CO -0.06 0.88 -0.15 0.52 0.56 0.00 0.00 179.97 181.71 1jpr h MET 316 N 0.83 0.98 -0.34 0.04 2.86 -0.99 -2.86 114.93 115.45 1jpr h MET 316 Ca 0.16 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1jpr h MET 316 Cb 0.47 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1jpr h MET 316 CO 0.02 1.07 0.13 0.37 1.06 0.00 0.00 176.91 179.56 1jpr h GLN 317 N 0.84 0.47 0.00 1.72 4.15 -1.18 -0.37 115.11 120.75 1jpr h GLN 317 Ca 0.12 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1jpr h GLN 317 Cb 0.72 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 1jpr h GLN 317 CO 0.06 0.40 -0.02 0.00 -1.93 0.00 0.00 178.83 177.33 1jpr h ALA 318 N 1.68 1.02 -0.12 3.38 0.00 -1.23 -2.63 119.26 121.35 1jpr h ALA 318 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jpr h ALA 318 Cb 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jpr h ALA 318 CO -0.01 0.03 -0.00 1.33 0.00 0.00 0.00 179.25 180.59 1jpr n VAL 319 N -3.15 2.08 -0.66 0.00 0.24 -1.02 -4.99 118.33 110.83 1jpr n VAL 319 Ca -0.00 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.19 1jpr n VAL 319 Cb 0.26 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1jpr n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jpr n GLY 320 N -1.02 0.66 3.90 7.63 0.00 -0.99 -4.95 105.19 110.41 1jpr n GLY 320 Ca 0.19 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1jpr n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jpr s LEU 321 N 0.00 4.23 0.77 0.99 1.43 -0.18 -4.99 118.68 120.93 1jpr s LEU 321 Ca 0.00 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 1jpr s LEU 321 Cb 0.00 -3.36 0.06 0.00 0.03 0.00 0.00 46.19 42.93 1jpr s LEU 321 CO 0.00 -0.00 1.16 -1.81 0.23 0.00 0.00 176.35 175.93 1jpr s ASP 322 N -2.61 4.06 -0.21 2.29 1.01 -1.26 -3.94 116.67 116.01 1jpr s ASP 322 Ca 0.42 2.18 -0.17 0.00 0.71 0.00 0.00 52.55 55.68 1jpr s ASP 322 Cb -0.12 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1jpr s ASP 322 CO 0.25 -2.35 0.47 -0.76 0.21 0.00 0.00 175.17 173.00 1jpr s LEU 323 N -5.60 4.14 0.22 1.23 1.43 -1.26 -4.85 118.68 113.99 1jpr s LEU 323 Ca 0.69 0.60 0.12 0.00 -1.03 0.00 0.00 54.13 54.51 1jpr s LEU 323 Cb -0.24 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.40 1jpr s LEU 323 CO 0.50 -0.15 1.43 -0.65 0.23 0.00 0.00 176.35 177.71 1jpr h PRO 324 N 7.48 0.00 -6.20 1.29 0.11 -1.95 -3.47 132.00 129.25 1jpr h PRO 324 Ca -0.34 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.22 1jpr h PRO 324 Cb 1.16 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1jpr h PRO 324 CO 0.73 0.71 -0.56 -0.06 -0.21 0.00 0.00 178.00 178.61 1jpr s PHE 325 N -3.00 3.11 0.35 0.65 0.08 -1.26 -5.07 117.98 112.83 1jpr s PHE 325 Ca 0.02 -0.06 -0.28 0.00 0.12 0.00 0.00 56.93 56.72 1jpr s PHE 325 Cb 0.10 -1.46 -0.12 0.00 -0.57 0.00 0.00 43.02 40.97 1jpr s PHE 325 CO 0.77 0.52 1.43 0.94 -0.10 0.00 0.00 175.22 178.79 1jpr n GLN 326 N -0.64 2.47 -2.32 0.44 7.27 -1.26 -4.93 117.38 118.40 1jpr n GLN 326 Ca -0.08 0.87 -0.35 0.00 0.07 0.00 0.00 57.00 57.51 1jpr n GLN 326 Cb 0.56 -2.55 -0.01 0.00 2.41 0.00 0.00 30.24 30.65 1jpr n GLN 326 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1jpr s THR 327 N -0.91 3.29 0.19 1.69 2.01 -1.26 -4.90 115.64 115.75 1jpr s THR 327 Ca 0.56 0.83 -0.20 0.00 0.31 0.00 0.00 61.69 63.19 1jpr s THR 327 Cb -0.52 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1jpr s THR 327 CO 0.61 -0.15 0.56 0.00 -0.69 0.00 0.00 174.62 174.95 1jpr s ARG 328 N -3.19 1.38 0.65 4.92 1.70 -1.26 -5.14 118.95 118.00 1jpr s ARG 328 Ca 0.70 -0.74 -0.09 0.00 -0.47 0.00 0.00 55.73 55.13 1jpr s ARG 328 Cb -0.23 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1jpr s ARG 328 CO 0.26 -0.59 1.01 -1.12 -1.08 0.00 0.00 175.30 173.78 1jpr s SER 329 N -2.83 5.62 0.05 -2.89 0.01 -1.26 -4.96 113.70 107.44 1jpr s SER 329 Ca 0.06 1.01 -0.31 0.00 1.31 0.00 0.00 55.95 58.03 1jpr s SER 329 Cb -0.01 -1.93 -0.10 0.00 0.21 0.00 0.00 66.02 64.19 1jpr s SER 329 CO -0.06 -1.16 1.93 -3.20 0.41 0.00 0.00 173.24 171.17 1jpr n ASN 330 N -2.80 4.07 0.17 2.44 2.85 -1.26 -4.87 115.26 115.86 1jpr n ASN 330 Ca 0.06 0.93 0.14 0.00 -0.11 0.00 0.00 54.58 55.59 1jpr n ASN 330 Cb 0.57 -1.51 0.49 0.00 1.24 0.00 0.00 39.78 40.57 1jpr n ASN 330 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1jpr h PRO 331 N 9.97 0.00 -2.06 1.20 0.13 -1.93 -3.34 132.00 135.98 1jpr h PRO 331 Ca -0.49 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 1jpr h PRO 331 Cb 1.24 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 1jpr h PRO 331 CO 0.94 0.00 -1.00 0.44 -0.23 0.00 0.00 178.00 178.15 1jpr n ILE 332 N -2.56 0.24 0.33 -3.56 -5.35 -1.26 -4.94 119.36 102.25 1jpr n ILE 332 Ca 0.03 -4.46 0.20 0.00 -0.27 0.00 0.00 62.75 58.25 1jpr n ILE 332 Cb 0.32 -1.62 1.07 0.00 -1.74 0.00 0.00 39.64 37.66 1jpr n ILE 332 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1jpr h PRO 333 N 3.77 0.00 0.00 6.28 0.13 -1.99 -0.32 132.00 139.87 1jpr h PRO 333 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1jpr h PRO 333 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1jpr h PRO 333 CO 0.56 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.44 1jpr h TRP 334 N 0.00 0.00 0.00 1.56 5.08 -1.95 -2.06 115.95 118.58 1jpr h TRP 334 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 1jpr h TRP 334 Cb 0.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 1jpr h TRP 334 CO 0.00 0.00 -0.16 0.97 -1.28 0.00 0.00 178.44 177.97 1jpr h ILE 335 N 0.00 0.46 0.00 0.12 2.10 -1.48 -2.81 117.51 115.90 1jpr h ILE 335 Ca 0.00 -0.83 -0.02 0.00 1.08 0.00 0.00 64.86 65.09 1jpr h ILE 335 Cb 0.16 1.59 -0.00 0.00 -1.09 0.00 0.00 36.82 37.47 1jpr h ILE 335 CO 0.00 0.15 -0.08 0.78 -1.08 0.00 0.00 178.15 177.92 1jpr h ASN 336 N 0.00 0.00 -0.64 2.19 2.35 -1.58 -1.88 115.58 116.02 1jpr h ASN 336 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1jpr h ASN 336 Cb 0.57 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1jpr h ASN 336 CO 0.02 0.08 0.34 0.74 -1.65 0.00 0.00 177.43 176.96 1jpr h THR 337 N 0.00 1.20 0.00 2.81 2.02 -1.70 -3.06 112.91 114.18 1jpr h THR 337 Ca -0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1jpr h THR 337 Cb 0.27 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1jpr h THR 337 CO 0.01 0.23 -0.94 -0.50 0.37 0.00 0.00 175.52 174.70 1jpr h TRP 338 N 0.92 0.00 -0.00 3.16 4.06 -1.52 -3.36 115.95 119.21 1jpr h TRP 338 Ca 0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 1jpr h TRP 338 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1jpr h TRP 338 CO 0.01 0.00 -0.57 1.28 -3.56 0.00 0.00 178.44 175.60 1jpr n LEU 339 N -2.66 0.99 0.00 -4.49 4.32 -0.99 -4.79 117.00 109.38 1jpr n LEU 339 Ca 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 1jpr n LEU 339 Cb 0.54 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1jpr n LEU 339 CO 0.40 0.21 0.00 0.52 -1.22 0.00 0.00 177.39 177.30