#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpe s PRO 19 N 0.00 -0.17 0.11 -1.58 0.04 -1.26 -4.95 135.00 127.19 3hpe s PRO 19 Ca 0.00 0.07 0.04 0.00 0.04 0.00 0.00 61.00 61.15 3hpe s PRO 19 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 3hpe s PRO 19 CO 0.00 -3.04 -0.11 0.71 0.04 0.00 0.00 177.00 174.60 3hpe s TYR 20 N -3.18 1.18 -0.16 0.56 2.02 -0.51 -4.58 117.35 112.68 3hpe s TYR 20 Ca 0.69 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 3hpe s TYR 20 Cb -0.12 -0.63 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3hpe s TYR 20 CO 0.55 0.05 -0.10 0.95 -1.57 0.00 0.00 175.55 175.44 3hpe s THR 21 N -2.53 1.36 0.26 -0.71 -4.23 0.40 -4.17 115.64 106.01 3hpe s THR 21 Ca 0.08 -0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 59.65 3hpe s THR 21 Cb -0.02 -1.39 -0.12 0.00 1.34 0.00 0.00 72.50 72.31 3hpe s THR 21 CO 0.01 0.30 1.66 -0.38 -0.54 0.00 0.00 174.62 175.66 3hpe n ILE 22 N 4.82 0.57 -2.92 2.99 5.41 -1.26 -1.18 119.36 127.79 3hpe n ILE 22 Ca -0.14 -0.14 -0.43 0.00 1.00 0.00 0.00 62.75 63.03 3hpe n ILE 22 Cb 0.49 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.39 3hpe n ILE 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hpe s ASP 23 N 0.80 6.33 0.43 4.38 3.68 0.21 -4.89 116.67 127.61 3hpe s ASP 23 Ca 0.69 -0.41 0.21 0.00 2.13 0.00 0.00 52.55 55.17 3hpe s ASP 23 Cb -0.50 -2.40 0.97 0.00 -1.45 0.00 0.00 42.92 39.54 3hpe s ASP 23 CO 0.41 -1.11 1.88 0.11 0.13 0.00 0.00 175.17 176.59 3hpe h LYS 24 N 9.19 0.00 0.00 4.34 1.79 -1.90 -2.11 116.57 127.89 3hpe h LYS 24 Ca -0.26 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.13 3hpe h LYS 24 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 3hpe h LYS 24 CO 1.04 0.27 -0.38 0.00 -1.08 0.00 0.00 179.45 179.30 3hpe h ALA 25 N 1.73 1.25 -0.01 3.86 0.00 -1.96 -3.22 119.26 120.91 3hpe h ALA 25 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hpe h ALA 25 Cb 0.64 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hpe h ALA 25 CO 0.04 0.48 -0.10 0.09 0.00 0.00 0.00 179.25 179.76 3hpe n ASN 26 N -3.91 2.25 -4.38 0.00 3.02 -0.96 -5.02 115.26 106.26 3hpe n ASN 26 Ca -0.01 -3.25 -0.25 0.00 -0.03 0.00 0.00 54.58 51.04 3hpe n ASN 26 Cb 0.44 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 39.04 3hpe n ASN 26 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3hpe s SER 27 N -2.93 3.10 0.06 6.41 0.01 -0.83 -3.80 113.70 115.71 3hpe s SER 27 Ca 0.33 -0.87 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 3hpe s SER 27 Cb 0.30 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.33 3hpe s SER 27 CO 0.01 0.05 0.26 -0.94 0.41 0.00 0.00 173.24 173.03 3hpe s SER 28 N -2.67 -0.04 -0.19 2.44 1.04 0.13 -4.89 113.70 109.51 3hpe s SER 28 Ca 0.18 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.27 3hpe s SER 28 Cb -0.07 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.44 3hpe s SER 28 CO 0.08 -0.65 -0.11 -0.69 0.98 0.00 0.00 173.24 172.85 3hpe s VAL 29 N -2.98 1.62 0.14 5.02 1.01 -1.26 -1.37 120.40 122.57 3hpe s VAL 29 Ca -0.02 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.11 3hpe s VAL 29 Cb 0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3hpe s VAL 29 CO -0.06 0.23 -0.03 0.26 0.00 0.00 0.00 175.10 175.50 3hpe s TRP 30 N 1.42 2.84 0.16 5.22 0.52 0.82 -2.26 118.94 127.66 3hpe s TRP 30 Ca 0.00 -0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.01 3hpe s TRP 30 Cb -0.15 -1.42 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 3hpe s TRP 30 CO -0.09 0.49 0.01 -0.59 0.02 0.00 0.00 176.95 176.78 3hpe s PHE 31 N -1.50 1.15 -0.18 -1.98 -0.12 0.09 -1.74 117.98 113.69 3hpe s PHE 31 Ca 0.25 -1.04 -0.09 0.00 -0.05 0.00 0.00 56.93 56.01 3hpe s PHE 31 Cb -0.10 -0.66 0.07 0.00 -0.63 0.00 0.00 43.02 41.70 3hpe s PHE 31 CO 0.17 -0.25 0.42 -2.00 -0.05 0.00 0.00 175.22 173.51 3hpe s GLU 32 N -3.93 0.37 -0.01 1.99 2.12 -0.79 -1.74 118.70 116.71 3hpe s GLU 32 Ca 0.23 0.88 -0.02 0.00 0.36 0.00 0.00 54.97 56.43 3hpe s GLU 32 Cb 0.06 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.55 3hpe s GLU 32 CO 0.03 -0.19 0.04 0.54 -0.54 0.00 0.00 175.26 175.14 3hpe s VAL 33 N 1.83 0.02 0.24 3.70 0.11 -0.20 -1.35 120.40 124.75 3hpe s VAL 33 Ca -0.07 -0.13 -0.31 0.00 -2.93 0.00 0.00 61.98 58.54 3hpe s VAL 33 Cb -0.10 -0.11 -0.12 0.00 -1.53 0.00 0.00 36.38 34.53 3hpe s VAL 33 CO -0.13 -0.07 1.64 0.29 -3.33 0.00 0.00 175.10 173.50 3hpe n LYS 34 N 2.83 2.63 -4.09 1.54 4.76 -1.26 -1.27 118.16 123.30 3hpe n LYS 34 Ca -0.14 0.94 -0.35 0.00 -2.87 0.00 0.00 58.31 55.90 3hpe n LYS 34 Cb 0.59 -2.74 -0.14 0.00 -1.84 0.00 0.00 35.03 30.90 3hpe n LYS 34 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3hpe s HIS 35 N 0.59 2.96 -1.53 2.13 5.65 0.31 -0.50 115.29 124.88 3hpe s HIS 35 Ca 0.71 -0.77 -0.08 0.00 0.25 0.00 0.00 55.06 55.16 3hpe s HIS 35 Cb -0.53 -2.06 0.07 0.00 -1.18 0.00 0.00 32.58 28.88 3hpe s HIS 35 CO 0.40 -0.41 0.59 1.19 -0.65 0.00 0.00 174.74 175.86 3hpe n PHE 36 N 4.44 -1.73 0.00 3.88 3.72 -0.29 -2.44 117.46 125.05 3hpe n PHE 36 Ca -0.18 0.78 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 3hpe n PHE 36 Cb 0.51 -3.44 0.00 0.00 -0.94 0.00 0.00 39.48 35.61 3hpe n PHE 36 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3hpe n LYS 37 N -4.42 0.00 0.00 -1.08 5.02 -1.24 -4.47 118.16 111.96 3hpe n LYS 37 Ca -0.14 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.16 3hpe n LYS 37 Cb 0.60 -0.35 -0.00 0.00 -0.02 0.00 0.00 35.03 35.26 3hpe n LYS 37 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hpe n PHE 38 N 0.00 0.00 -4.22 2.13 0.99 -1.16 -4.94 117.46 110.27 3hpe n PHE 38 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.26 3hpe n PHE 38 Cb 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 39.48 38.36 3hpe n PHE 38 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3hpe s ASN 39 N -0.72 1.91 -0.13 4.37 2.47 -1.02 -4.98 114.94 116.84 3hpe s ASN 39 Ca 0.02 -0.71 -0.05 0.00 0.42 0.00 0.00 52.86 52.54 3hpe s ASN 39 Cb 0.02 -0.07 -0.04 0.00 -1.45 0.00 0.00 41.25 39.72 3hpe s ASN 39 CO 0.07 -0.10 0.04 -1.61 -3.72 0.00 0.00 177.10 171.79 3hpe s GLU 40 N -2.19 3.49 -0.24 0.43 8.01 -1.26 0.11 118.70 127.04 3hpe s GLU 40 Ca 0.04 -0.35 -0.10 0.00 0.01 0.00 0.00 54.97 54.57 3hpe s GLU 40 Cb -0.08 -3.02 -0.05 0.00 -4.31 0.00 0.00 34.13 26.67 3hpe s GLU 40 CO 0.03 0.52 0.14 0.99 0.01 0.00 0.00 175.26 176.95 3hpe s THR 41 N -0.34 5.17 0.02 3.63 2.01 -0.40 -4.86 115.64 120.87 3hpe s THR 41 Ca 0.08 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.24 3hpe s THR 41 Cb -0.12 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3hpe s THR 41 CO 0.02 0.34 -0.07 -0.13 -0.69 0.00 0.00 174.62 174.08 3hpe s ARG 42 N 1.19 2.47 0.29 4.92 0.52 -1.26 -1.03 118.95 126.05 3hpe s ARG 42 Ca 0.07 -0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 54.35 3hpe s ARG 42 Cb -0.14 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 32.92 3hpe s ARG 42 CO 0.05 0.58 0.71 0.41 0.02 0.00 0.00 175.30 177.08 3hpe n GLY 43 N 1.38 1.04 3.33 -3.53 0.00 -0.71 -4.38 105.19 102.32 3hpe n GLY 43 Ca -0.15 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 3hpe n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hpe s VAL 44 N -2.22 1.02 -0.36 1.61 -7.23 -1.26 -0.73 120.40 111.23 3hpe s VAL 44 Ca 0.15 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 3hpe s VAL 44 Cb -0.04 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.56 3hpe s VAL 44 CO 0.09 -0.32 0.23 -0.36 -0.31 0.00 0.00 175.10 174.43 3hpe s PHE 45 N -3.43 3.22 -1.05 2.82 0.40 -0.96 -0.95 117.98 118.03 3hpe s PHE 45 Ca 0.29 -0.58 0.13 0.00 -0.60 0.00 0.00 56.93 56.16 3hpe s PHE 45 Cb 0.06 -2.47 0.55 0.00 0.51 0.00 0.00 43.02 41.67 3hpe s PHE 45 CO 0.09 -0.52 1.39 -0.25 0.70 0.00 0.00 175.22 176.64 3hpe n ASP 46 N 5.07 0.00 -3.68 1.36 8.00 -0.98 -4.48 116.55 121.84 3hpe n ASP 46 Ca -0.12 0.45 -0.19 0.00 0.71 0.00 0.00 54.79 55.64 3hpe n ASP 46 Cb 0.48 -0.47 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 3hpe n ASP 46 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hpe s SER 47 N -2.95 0.98 0.12 -2.24 0.15 -1.26 -5.09 113.70 103.41 3hpe s SER 47 Ca 0.07 0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.68 3hpe s SER 47 Cb 0.08 -0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 3hpe s SER 47 CO 0.23 -0.24 0.42 0.72 1.20 0.00 0.00 173.24 175.56 3hpe s PHE 48 N 2.11 -0.24 0.22 3.44 -0.12 -1.26 -1.35 117.98 120.78 3hpe s PHE 48 Ca 0.04 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.88 3hpe s PHE 48 Cb -0.12 0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 42.50 3hpe s PHE 48 CO -0.04 -0.71 0.04 -0.51 -0.05 0.00 0.00 175.22 173.96 3hpe s ASP 49 N -2.74 1.32 -0.22 1.98 1.11 0.53 -4.99 116.67 113.66 3hpe s ASP 49 Ca 0.02 -1.27 -0.35 0.00 0.18 0.00 0.00 52.55 51.13 3hpe s ASP 49 Cb 0.01 0.12 0.15 0.00 1.07 0.00 0.00 42.92 44.27 3hpe s ASP 49 CO -0.11 -0.63 1.25 -0.83 1.18 0.00 0.00 175.17 176.03 3hpe s GLY 50 N -3.26 -0.23 -0.04 0.21 0.00 -1.26 -1.35 107.32 101.39 3hpe s GLY 50 Ca 0.31 1.83 0.03 0.00 0.00 0.00 0.00 44.72 46.88 3hpe s GLY 50 CO 0.09 0.64 -0.12 1.25 0.00 0.00 0.00 173.10 174.97 3hpe s LYS 51 N -2.12 1.36 -0.01 2.90 2.20 -0.59 -4.75 119.74 118.73 3hpe s LYS 51 Ca 0.09 -0.40 -0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3hpe s LYS 51 Cb -0.01 -1.20 0.01 0.00 -1.51 0.00 0.00 37.83 35.12 3hpe s LYS 51 CO -0.04 0.12 0.01 0.42 -0.36 0.00 0.00 175.35 175.49 3hpe s ILE 52 N 0.31 -0.02 -0.02 5.43 1.01 -1.26 -2.45 121.20 124.20 3hpe s ILE 52 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3hpe s ILE 52 Cb -0.12 -0.03 0.03 0.00 0.01 0.00 0.00 42.46 42.35 3hpe s ILE 52 CO 0.02 0.02 0.01 -0.62 0.00 0.00 0.00 174.94 174.37 3hpe s ASP 53 N 0.28 0.24 0.15 3.58 -1.08 -0.59 -1.42 116.67 117.84 3hpe s ASP 53 Ca -0.02 0.00 -0.21 0.00 -0.52 0.00 0.00 52.55 51.80 3hpe s ASP 53 Cb -0.03 -0.14 0.06 0.00 -1.46 0.00 0.00 42.92 41.35 3hpe s ASP 53 CO -0.01 -0.10 0.53 0.00 0.52 0.00 0.00 175.17 176.12 3hpe s ALA 54 N 0.92 -1.38 -0.36 3.66 0.00 -1.26 -1.33 121.76 122.02 3hpe s ALA 54 Ca -0.09 0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 3hpe s ALA 54 Cb -0.12 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 3hpe s ALA 54 CO -0.02 -0.73 0.24 0.34 0.00 0.00 0.00 175.76 175.59 3hpe s ASP 55 N -2.77 5.97 0.19 0.00 3.68 -0.41 -3.53 116.67 119.81 3hpe s ASP 55 Ca 0.02 -0.64 -0.13 0.00 2.13 0.00 0.00 52.55 53.92 3hpe s ASP 55 Cb -0.00 -2.11 0.21 0.00 -1.45 0.00 0.00 42.92 39.56 3hpe s ASP 55 CO -0.13 -0.31 1.67 -0.65 0.13 0.00 0.00 175.17 175.88 3hpe h PRO 56 N 8.51 0.09 -6.95 4.34 0.11 -1.94 -2.47 132.00 133.69 3hpe h PRO 56 Ca -0.29 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.32 3hpe h PRO 56 Cb 1.14 -0.02 0.03 0.00 0.11 0.00 0.00 31.00 32.26 3hpe h PRO 56 CO 0.66 0.06 0.13 -0.80 -0.21 0.00 0.00 178.00 177.84 3hpe s ASN 57 N -5.24 6.28 0.00 -2.05 -0.87 -1.26 -3.91 114.94 107.89 3hpe s ASN 57 Ca -0.14 0.98 0.00 0.00 -1.57 0.00 0.00 52.86 52.13 3hpe s ASN 57 Cb 0.17 -2.27 0.00 0.00 -0.02 0.00 0.00 41.25 39.13 3hpe s ASN 57 CO 0.73 -0.58 0.00 0.35 -2.57 0.00 0.00 177.10 175.02 3hpe n THR 58 N -2.22 0.00 -2.65 1.60 -2.24 -1.26 -4.24 114.28 103.28 3hpe n THR 58 Ca 0.01 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 3hpe n THR 58 Cb 0.55 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 3hpe n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hpe n LYS 59 N 0.00 -2.93 -2.60 -0.78 5.02 -0.93 -4.99 118.16 110.95 3hpe n LYS 59 Ca 0.00 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.69 3hpe n LYS 59 Cb 0.00 -5.35 -0.04 0.00 -0.02 0.00 0.00 35.03 29.62 3hpe n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hpe s ALA 60 N -2.99 3.31 -0.11 7.82 0.00 -1.21 -4.90 121.76 123.67 3hpe s ALA 60 Ca 0.14 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 3hpe s ALA 60 Cb -0.06 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3hpe s ALA 60 CO 0.17 -0.16 0.35 -0.51 0.00 0.00 0.00 175.76 175.61 3hpe s LEU 61 N -0.00 4.31 -0.14 0.00 1.43 -1.26 -1.28 118.68 121.74 3hpe s LEU 61 Ca 0.50 0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 3hpe s LEU 61 Cb -0.27 -2.47 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 3hpe s LEU 61 CO 0.32 0.15 -0.14 -3.20 0.23 0.00 0.00 176.35 173.72 3hpe n ASN 62 N 3.07 2.45 -3.91 2.29 2.85 -0.44 -4.67 115.26 116.90 3hpe n ASN 62 Ca -0.12 -0.01 -0.20 0.00 -0.11 0.00 0.00 54.58 54.15 3hpe n ASN 62 Cb 0.52 -0.27 -0.16 0.00 1.24 0.00 0.00 39.78 41.11 3hpe n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3hpe s VAL 63 N -2.27 0.55 -0.29 3.44 1.01 -1.02 -4.96 120.40 116.86 3hpe s VAL 63 Ca -0.19 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3hpe s VAL 63 Cb 0.06 -0.56 0.16 0.00 0.00 0.00 0.00 36.38 36.04 3hpe s VAL 63 CO 0.30 0.22 0.41 0.12 0.00 0.00 0.00 175.10 176.15 3hpe s PHE 64 N 0.77 -1.00 0.12 5.22 2.19 -1.26 -1.54 117.98 122.49 3hpe s PHE 64 Ca -0.10 0.30 0.01 0.00 0.33 0.00 0.00 56.93 57.46 3hpe s PHE 64 Cb -0.13 -0.16 -0.04 0.00 -1.31 0.00 0.00 43.02 41.37 3hpe s PHE 64 CO 0.00 -0.99 -0.02 -1.83 1.83 0.00 0.00 175.22 174.21 3hpe s GLU 65 N 2.52 0.92 0.11 10.12 -1.05 -1.03 0.35 118.70 130.64 3hpe s GLU 65 Ca 0.10 -1.41 -0.25 0.00 -0.15 0.00 0.00 54.97 53.26 3hpe s GLU 65 Cb -0.12 -0.12 0.08 0.00 -0.44 0.00 0.00 34.13 33.53 3hpe s GLU 65 CO -0.30 -0.10 0.67 0.20 0.95 0.00 0.00 175.26 176.68 3hpe s GLY 66 N -3.08 -0.58 0.09 -3.83 0.00 -0.10 -1.54 107.32 98.28 3hpe s GLY 66 Ca 0.17 0.66 0.07 0.00 0.00 0.00 0.00 44.72 45.63 3hpe s GLY 66 CO -0.01 0.25 -0.18 0.54 0.00 0.00 0.00 173.10 173.70 3hpe s LYS 67 N -3.44 0.99 0.13 2.90 1.02 -0.46 -0.91 119.74 119.96 3hpe s LYS 67 Ca 0.01 -1.07 0.10 0.00 0.02 0.00 0.00 55.97 55.03 3hpe s LYS 67 Cb -0.01 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 36.13 3hpe s LYS 67 CO -0.11 0.26 -0.22 0.96 -0.92 0.00 0.00 175.35 175.32 3hpe s ILE 68 N -1.23 2.60 -0.30 2.17 -4.36 -0.00 -0.34 121.20 119.74 3hpe s ILE 68 Ca 0.03 -1.63 -0.16 0.00 -0.26 0.00 0.00 60.65 58.63 3hpe s ILE 68 Cb -0.10 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 3hpe s ILE 68 CO 0.03 0.08 0.40 -1.81 0.24 0.00 0.00 174.94 173.89 3hpe s ASP 69 N -2.15 6.26 0.29 4.36 1.01 -0.46 -2.24 116.67 123.74 3hpe s ASP 69 Ca 0.17 0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.58 3hpe s ASP 69 Cb -0.10 -2.22 0.45 0.00 1.01 0.00 0.00 42.92 42.05 3hpe s ASP 69 CO 0.09 -0.27 1.76 0.40 0.21 0.00 0.00 175.17 177.35 3hpe h ILE 70 N 5.46 1.25 -0.01 0.77 1.08 -1.33 -1.69 117.51 123.04 3hpe h ILE 70 Ca -0.30 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 3hpe h ILE 70 Cb 1.15 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 36.13 3hpe h ILE 70 CO 0.68 0.37 0.10 0.07 -0.69 0.00 0.00 178.15 178.68 3hpe h LYS 71 N 0.47 0.00 0.00 2.37 2.10 -1.93 -2.25 116.57 117.33 3hpe h LYS 71 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3hpe h LYS 71 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3hpe h LYS 71 CO 0.04 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.36 3hpe n SER 72 N -3.12 0.00 -4.57 7.07 3.41 -0.63 -4.91 113.62 110.86 3hpe n SER 72 Ca -0.02 -0.85 -0.46 0.00 -0.26 0.00 0.00 58.87 57.28 3hpe n SER 72 Cb 0.17 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3hpe n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hpe n ILE 73 N -1.05 1.82 0.00 -1.33 3.06 -0.85 -2.31 119.36 118.71 3hpe n ILE 73 Ca 0.22 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 60.02 3hpe n ILE 73 Cb 0.13 -0.86 0.00 0.00 0.54 0.00 0.00 39.64 39.45 3hpe n ILE 73 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 3hpe n ASN 74 N 1.44 0.00 0.00 9.51 2.85 -0.13 -4.89 115.26 124.04 3hpe n ASN 74 Ca 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 3hpe n ASN 74 Cb 0.30 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.32 3hpe n ASN 74 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3hpe n THR 75 N -0.44 0.00 -2.64 -0.44 -1.04 -1.26 -4.08 114.28 104.38 3hpe n THR 75 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 3hpe n THR 75 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hpe n THR 75 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hpe n ARG 76 N -1.87 -2.81 -3.50 -2.82 1.74 -1.26 -4.97 116.66 101.17 3hpe n ARG 76 Ca 0.00 0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 57.87 3hpe n ARG 76 Cb 0.00 -5.64 -0.11 0.00 -1.02 0.00 0.00 32.46 25.69 3hpe n ARG 76 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hpe s ASN 77 N -2.28 0.53 0.06 0.55 3.84 -1.26 -5.08 114.94 111.31 3hpe s ASN 77 Ca 0.11 0.27 -0.29 0.00 0.21 0.00 0.00 52.86 53.16 3hpe s ASN 77 Cb -0.05 0.84 -0.18 0.00 -0.55 0.00 0.00 41.25 41.31 3hpe s ASN 77 CO 0.14 -0.29 1.53 0.50 -2.79 0.00 0.00 177.10 176.19 3hpe h LYS 78 N 8.24 -0.63 -0.91 0.43 3.64 -1.93 0.15 116.57 125.55 3hpe h LYS 78 Ca -0.17 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.43 3hpe h LYS 78 Cb 1.14 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 33.00 3hpe h LYS 78 CO 0.23 -0.38 0.49 -0.22 -2.27 0.00 0.00 179.45 177.30 3hpe h LYS 79 N -0.75 0.62 0.03 1.90 3.64 -1.99 0.53 116.57 120.56 3hpe h LYS 79 Ca -0.07 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3hpe h LYS 79 Cb 0.55 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3hpe h LYS 79 CO 0.11 0.41 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.60 3hpe h ARG 80 N 0.64 -0.04 -0.77 1.90 2.43 -1.93 -2.42 114.38 114.18 3hpe h ARG 80 Ca 0.52 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.74 3hpe h ARG 80 Cb 0.81 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3hpe h ARG 80 CO -0.40 0.61 0.51 -0.44 -1.51 0.00 0.00 179.97 178.74 3hpe h ASP 81 N -0.76 0.80 -0.37 -3.80 3.32 -0.32 -0.27 116.42 115.03 3hpe h ASP 81 Ca -0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3hpe h ASP 81 Cb 0.67 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3hpe h ASP 81 CO 0.01 0.54 -0.18 0.44 -1.72 0.00 0.00 179.24 178.33 3hpe h ASP 82 N 0.92 0.85 -0.68 6.45 5.19 0.10 -2.71 116.42 126.53 3hpe h ASP 82 Ca 0.31 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 3hpe h ASP 82 Cb 0.09 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.34 3hpe h ASP 82 CO -0.10 1.02 0.14 -0.74 -3.12 0.00 0.00 179.24 176.44 3hpe h HIS 83 N 0.74 1.18 -0.41 4.55 2.76 -0.84 -2.92 115.15 120.21 3hpe h HIS 83 Ca 0.11 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 3hpe h HIS 83 Cb 0.71 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3hpe h HIS 83 CO 0.04 0.98 0.22 -0.07 -1.30 0.00 0.00 177.93 177.80 3hpe h LEU 84 N 1.05 0.50 -0.48 0.26 3.38 -0.76 -2.48 115.31 116.78 3hpe h LEU 84 Ca 0.21 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3hpe h LEU 84 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hpe h LEU 84 CO 0.01 0.41 -0.62 0.11 0.09 0.00 0.00 178.44 178.44 3hpe h LYS 85 N 0.57 0.00 -6.70 1.13 1.57 -1.38 -0.49 116.57 111.28 3hpe h LYS 85 Ca 0.15 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.42 3hpe h LYS 85 Cb 0.02 0.00 0.22 0.00 0.08 0.00 0.00 32.23 32.55 3hpe h LYS 85 CO -0.02 0.62 -0.83 2.41 -0.57 0.00 0.00 179.45 181.05 3hpe n THR 86 N -3.50 0.00 0.24 -0.16 -1.04 -0.93 -1.55 114.28 107.34 3hpe n THR 86 Ca 0.00 -0.24 0.18 0.00 -2.04 0.00 0.00 64.05 61.95 3hpe n THR 86 Cb 0.69 -0.57 0.88 0.00 -1.82 0.00 0.00 70.33 69.51 3hpe n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hpe h ALA 87 N -1.67 1.64 -0.52 2.41 0.00 -1.89 0.14 119.26 119.37 3hpe h ALA 87 Ca -0.46 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.59 3hpe h ALA 87 Cb 1.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3hpe h ALA 87 CO 0.34 -0.26 0.46 0.93 0.00 0.00 0.00 179.25 180.72 3hpe h GLU 88 N 0.00 0.00 0.00 0.00 5.08 -1.91 -3.43 114.58 114.33 3hpe h GLU 88 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hpe h GLU 88 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3hpe h GLU 88 CO -0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 3hpe n PHE 89 N -3.97 0.00 0.07 4.33 3.72 -0.89 -2.87 117.46 117.84 3hpe n PHE 89 Ca 0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.47 3hpe n PHE 89 Cb 0.67 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.14 3hpe n PHE 89 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3hpe h PHE 90 N 0.00 0.00 -6.25 1.38 -1.00 -0.96 -3.37 116.94 106.74 3hpe h PHE 90 Ca 0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 3hpe h PHE 90 Cb 0.00 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.58 3hpe h PHE 90 CO 0.00 0.75 -0.75 -3.47 -1.61 0.00 0.00 178.31 173.23 3hpe n ASP 91 N -3.16 -5.76 -0.00 2.17 -0.08 0.43 -4.55 116.55 105.61 3hpe n ASP 91 Ca -0.04 -0.75 0.08 0.00 -1.51 0.00 0.00 54.79 52.57 3hpe n ASP 91 Cb 0.87 -3.08 0.49 0.00 2.34 0.00 0.00 41.12 41.73 3hpe n ASP 91 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3hpe h VAL 92 N -0.58 1.00 0.00 5.18 3.04 -1.47 0.49 116.25 123.92 3hpe h VAL 92 Ca -0.47 -0.15 -0.03 0.00 -1.01 0.00 0.00 66.70 65.05 3hpe h VAL 92 Cb 1.28 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 3hpe h VAL 92 CO 0.38 0.08 -0.13 1.62 -1.01 0.00 0.00 177.57 178.51 3hpe h VAL 93 N 0.42 1.05 0.03 1.51 3.04 -1.89 -3.09 116.25 117.32 3hpe h VAL 93 Ca 0.19 -0.44 -0.38 0.00 -1.01 0.00 0.00 66.70 65.05 3hpe h VAL 93 Cb 0.21 1.24 -0.05 0.00 -2.01 0.00 0.00 31.29 30.68 3hpe h VAL 93 CO -0.05 0.12 -2.17 1.17 -1.01 0.00 0.00 177.57 175.64 3hpe n LYS 94 N -4.33 0.64 -3.88 4.17 4.81 -0.83 -4.79 118.16 113.96 3hpe n LYS 94 Ca -0.03 0.29 -0.32 0.00 -0.87 0.00 0.00 58.31 57.38 3hpe n LYS 94 Cb 0.20 -1.59 -0.13 0.00 0.02 0.00 0.00 35.03 33.53 3hpe n LYS 94 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3hpe s TYR 95 N -2.49 3.26 -0.14 5.64 2.02 0.10 -4.95 117.35 120.79 3hpe s TYR 95 Ca -0.32 -3.05 0.28 0.00 -0.37 0.00 0.00 57.07 53.61 3hpe s TYR 95 Cb 0.10 -2.93 0.86 0.00 -0.40 0.00 0.00 41.96 39.58 3hpe s TYR 95 CO 0.60 -0.76 1.80 -1.00 -1.57 0.00 0.00 175.55 174.61 3hpe h PRO 96 N 6.60 0.00 -5.57 -1.71 0.14 -1.79 -3.38 132.00 126.29 3hpe h PRO 96 Ca -0.05 0.00 -0.45 0.00 0.14 0.00 0.00 66.00 65.64 3hpe h PRO 96 Cb 0.90 0.00 -0.19 0.00 0.14 0.00 0.00 31.00 31.85 3hpe h PRO 96 CO 0.70 0.03 -0.77 0.15 0.14 0.00 0.00 178.00 178.25 3hpe s LYS 97 N -3.45 1.04 0.19 0.86 1.02 -1.26 -0.88 119.74 117.25 3hpe s LYS 97 Ca 0.04 -1.21 0.10 0.00 0.02 0.00 0.00 55.97 54.92 3hpe s LYS 97 Cb 0.07 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.33 3hpe s LYS 97 CO 0.61 0.21 -0.20 0.20 -0.92 0.00 0.00 175.35 175.25 3hpe s GLY 98 N -2.30 1.53 0.01 -3.33 0.00 -0.95 -4.63 107.32 97.65 3hpe s GLY 98 Ca 0.08 -1.59 -0.15 0.00 0.00 0.00 0.00 44.72 43.06 3hpe s GLY 98 CO 0.03 -1.64 0.34 -1.35 0.00 0.00 0.00 173.10 170.48 3hpe s SER 99 N -2.82 -0.20 -0.01 1.64 1.04 -0.78 -0.82 113.70 111.76 3hpe s SER 99 Ca 0.19 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.64 3hpe s SER 99 Cb -0.06 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 3hpe s SER 99 CO 0.08 -0.54 -0.07 0.12 0.98 0.00 0.00 173.24 173.81 3hpe s PHE 100 N -1.92 0.61 -0.03 5.02 2.19 -0.09 -0.41 117.98 123.35 3hpe s PHE 100 Ca -0.09 -0.12 0.01 0.00 0.33 0.00 0.00 56.93 57.06 3hpe s PHE 100 Cb -0.03 -0.39 0.02 0.00 -1.31 0.00 0.00 43.02 41.31 3hpe s PHE 100 CO 0.01 -0.01 -0.01 0.15 1.83 0.00 0.00 175.22 177.18 3hpe s LYS 101 N -0.15 0.39 0.23 10.12 -0.14 -0.96 -0.92 119.74 128.31 3hpe s LYS 101 Ca 0.02 0.00 -0.30 0.00 -1.36 0.00 0.00 55.97 54.34 3hpe s LYS 101 Cb -0.03 -0.51 -0.09 0.00 -1.68 0.00 0.00 37.83 35.53 3hpe s LYS 101 CO -0.00 -0.08 1.06 1.41 -0.76 0.00 0.00 175.35 176.97 3hpe s MET 102 N 0.79 4.68 -0.06 1.68 -2.45 0.15 -1.61 119.30 122.48 3hpe s MET 102 Ca -0.08 1.69 0.09 0.00 -1.25 0.00 0.00 55.69 56.14 3hpe s MET 102 Cb -0.12 -3.25 -0.13 0.00 1.25 0.00 0.00 34.83 32.58 3hpe s MET 102 CO -0.01 0.24 0.12 -2.37 1.05 0.00 0.00 175.02 174.05 3hpe n THR 103 N 1.70 0.35 -3.64 10.11 5.66 0.38 -4.78 114.28 124.06 3hpe n THR 103 Ca 0.00 -0.32 -0.04 0.00 -3.05 0.00 0.00 64.05 60.63 3hpe n THR 103 Cb 0.46 -0.29 -0.07 0.00 -1.55 0.00 0.00 70.33 68.88 3hpe n THR 103 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3hpe s LYS 104 N -2.44 0.44 -0.25 1.09 2.20 -1.04 -5.01 119.74 114.74 3hpe s LYS 104 Ca -0.04 0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 56.20 3hpe s LYS 104 Cb 0.04 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 3hpe s LYS 104 CO 0.40 -0.08 0.06 -0.47 -0.36 0.00 0.00 175.35 174.90 3hpe s TYR 105 N 1.10 3.08 -0.14 4.03 6.14 -1.26 -1.34 117.35 128.96 3hpe s TYR 105 Ca -0.06 -0.47 -0.08 0.00 0.64 0.00 0.00 57.07 57.10 3hpe s TYR 105 Cb -0.04 -2.23 0.05 0.00 0.42 0.00 0.00 41.96 40.16 3hpe s TYR 105 CO -0.13 -0.38 0.33 -1.83 0.64 0.00 0.00 175.55 174.18 3hpe s GLU 106 N 1.60 0.31 -1.07 4.97 -1.05 -0.67 -4.96 118.70 117.83 3hpe s GLU 106 Ca 0.06 0.66 -0.07 0.00 -0.15 0.00 0.00 54.97 55.47 3hpe s GLU 106 Cb -0.15 -0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.49 3hpe s GLU 106 CO 0.03 -0.16 0.13 -0.25 0.95 0.00 0.00 175.26 175.97 3hpe n ASP 107 N 4.18 -0.27 0.00 0.83 9.92 -1.26 -1.16 116.55 128.80 3hpe n ASP 107 Ca -0.24 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.08 3hpe n ASP 107 Cb 0.54 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 3hpe n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hpe n GLY 108 N -2.07 0.70 3.21 0.44 0.00 -1.26 -5.03 105.19 101.18 3hpe n GLY 108 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3hpe n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpe s LYS 109 N -0.33 3.09 -0.45 1.61 1.02 -0.30 -0.77 119.74 123.60 3hpe s LYS 109 Ca 0.00 -0.83 -0.22 0.00 0.02 0.00 0.00 55.97 54.95 3hpe s LYS 109 Cb 0.00 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3hpe s LYS 109 CO 0.00 0.04 0.71 0.42 -0.92 0.00 0.00 175.35 175.60 3hpe s ILE 110 N 0.70 4.74 -0.04 2.17 1.01 0.17 -1.67 121.20 128.29 3hpe s ILE 110 Ca -0.09 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 3hpe s ILE 110 Cb -0.16 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 3hpe s ILE 110 CO 0.01 -0.68 0.55 -1.00 0.00 0.00 0.00 174.94 173.81 3hpe s HIS 111 N 3.03 3.64 0.09 3.97 3.76 -0.45 0.44 115.29 129.77 3hpe s HIS 111 Ca 0.25 1.10 -0.23 0.00 -0.15 0.00 0.00 55.06 56.03 3hpe s HIS 111 Cb -0.14 -2.57 0.08 0.00 1.11 0.00 0.00 32.58 31.06 3hpe s HIS 111 CO 0.20 0.32 1.06 0.41 -0.85 0.00 0.00 174.74 175.88 3hpe n GLY 112 N 2.62 0.47 3.38 -2.22 0.00 -0.30 0.14 105.19 109.28 3hpe n GLY 112 Ca -0.07 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3hpe n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hpe s ASP 113 N -3.43 4.55 -0.12 1.61 1.01 -0.63 0.16 116.67 119.82 3hpe s ASP 113 Ca 0.24 -0.30 -0.02 0.00 0.71 0.00 0.00 52.55 53.18 3hpe s ASP 113 Cb -0.02 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.10 3hpe s ASP 113 CO 0.03 0.02 -0.05 -0.22 0.21 0.00 0.00 175.17 175.16 3hpe s LEU 114 N 1.23 3.25 -0.19 1.23 2.96 -0.54 -2.27 118.68 124.35 3hpe s LEU 114 Ca 0.03 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3hpe s LEU 114 Cb -0.14 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.82 3hpe s LEU 114 CO -0.00 0.26 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.21 3hpe s THR 115 N -0.18 2.05 -0.02 3.68 2.01 0.45 -1.83 115.64 121.80 3hpe s THR 115 Ca 0.03 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 3hpe s THR 115 Cb -0.13 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.49 3hpe s THR 115 CO 0.02 0.47 0.07 -0.76 -0.69 0.00 0.00 174.62 173.74 3hpe s LEU 116 N 1.28 1.76 -1.25 4.42 1.02 -0.17 -1.86 118.68 123.88 3hpe s LEU 116 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.22 3hpe s LEU 116 Cb -0.14 0.28 0.00 0.00 0.02 0.00 0.00 46.19 46.35 3hpe s LEU 116 CO -0.12 -0.09 0.00 1.57 0.02 0.00 0.00 176.35 177.73 3hpe n HIS 117 N 2.71 -0.88 -0.50 0.29 -0.00 -1.26 -0.79 115.22 114.79 3hpe n HIS 117 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 3hpe n HIS 117 Cb 0.59 -2.71 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 3hpe n HIS 117 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hpe n GLY 118 N -0.54 0.75 3.30 1.57 0.00 -1.26 -4.94 105.19 104.07 3hpe n GLY 118 Ca -0.14 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3hpe n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hpe s VAL 119 N -2.00 2.08 -0.09 1.61 1.01 0.03 -5.13 120.40 117.92 3hpe s VAL 119 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.92 3hpe s VAL 119 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3hpe s VAL 119 CO 0.00 0.58 -0.16 -0.89 0.00 0.00 0.00 175.10 174.63 3hpe s THR 120 N -0.47 2.87 0.03 3.92 2.01 -1.26 -1.00 115.64 121.74 3hpe s THR 120 Ca 0.06 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3hpe s THR 120 Cb -0.11 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 3hpe s THR 120 CO 0.01 0.56 0.06 -0.54 -0.69 0.00 0.00 174.62 174.01 3hpe s LYS 121 N -0.16 0.54 0.10 4.92 -0.14 -0.76 -4.96 119.74 119.27 3hpe s LYS 121 Ca -0.01 -0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 53.52 3hpe s LYS 121 Cb -0.14 0.20 -0.06 0.00 -1.68 0.00 0.00 37.83 36.16 3hpe s LYS 121 CO 0.03 -0.12 1.08 -1.25 -0.76 0.00 0.00 175.35 174.33 3hpe s PRO 122 N -2.53 4.56 0.06 -1.68 0.04 -1.26 -1.47 135.00 132.70 3hpe s PRO 122 Ca -0.06 1.63 0.04 0.00 0.04 0.00 0.00 61.00 62.65 3hpe s PRO 122 Cb -0.02 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 3hpe s PRO 122 CO -0.04 -0.02 -0.12 0.14 0.04 0.00 0.00 177.00 177.00 3hpe s VAL 123 N 0.43 0.89 -0.13 -0.36 -7.23 0.12 -4.94 120.40 109.19 3hpe s VAL 123 Ca 0.52 -1.17 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3hpe s VAL 123 Cb -0.27 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 3hpe s VAL 123 CO 0.31 -0.25 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.05 3hpe s VAL 124 N -1.24 3.26 -0.11 1.32 1.01 -1.26 -1.15 120.40 122.23 3hpe s VAL 124 Ca -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3hpe s VAL 124 Cb -0.10 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3hpe s VAL 124 CO 0.01 0.52 -0.23 -0.76 0.00 0.00 0.00 175.10 174.65 3hpe s LEU 125 N 0.26 2.16 0.01 3.92 1.02 0.17 -4.59 118.68 121.63 3hpe s LEU 125 Ca -0.08 -0.54 -0.30 0.00 0.02 0.00 0.00 54.13 53.23 3hpe s LEU 125 Cb -0.15 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.59 3hpe s LEU 125 CO 0.05 0.16 1.04 -0.70 0.02 0.00 0.00 176.35 176.91 3hpe s GLU 126 N 0.37 4.52 0.14 1.70 2.56 0.18 0.43 118.70 128.60 3hpe s GLU 126 Ca -0.17 1.50 0.08 0.00 0.00 0.00 0.00 54.97 56.38 3hpe s GLU 126 Cb -0.18 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.47 3hpe s GLU 126 CO 0.08 -0.12 -0.11 0.00 -0.56 0.00 0.00 175.26 174.56 3hpe s ALA 127 N 1.10 2.92 -0.06 6.30 0.00 0.05 -1.08 121.76 131.00 3hpe s ALA 127 Ca 0.53 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3hpe s ALA 127 Cb -0.23 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.11 3hpe s ALA 127 CO 0.28 0.56 0.02 0.21 0.00 0.00 0.00 175.76 176.83 3hpe s LYS 128 N -2.46 0.37 -0.19 0.00 2.20 0.16 -4.84 119.74 114.98 3hpe s LYS 128 Ca 0.22 0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.97 3hpe s LYS 128 Cb -0.10 -0.77 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 3hpe s LYS 128 CO 0.14 -0.28 -0.02 0.42 -0.36 0.00 0.00 175.35 175.24 3hpe s ILE 129 N 1.89 3.74 -0.26 5.43 -1.09 -1.26 -0.33 121.20 129.32 3hpe s ILE 129 Ca 0.03 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 58.00 3hpe s ILE 129 Cb -0.12 -2.68 -0.00 0.00 -1.58 0.00 0.00 42.46 38.08 3hpe s ILE 129 CO -0.04 0.44 0.03 -1.10 -1.23 0.00 0.00 174.94 173.04 3hpe s GLN 130 N 0.99 3.24 -0.19 2.79 -1.52 0.51 -4.99 119.66 120.50 3hpe s GLN 130 Ca 0.01 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 52.38 3hpe s GLN 130 Cb -0.14 -3.23 0.14 0.00 -0.22 0.00 0.00 33.01 29.55 3hpe s GLN 130 CO 0.01 -0.33 1.06 0.00 -0.25 0.00 0.00 175.29 175.78 3hpe s ALA 131 N 1.50 -1.97 0.21 6.09 0.00 -1.26 -0.76 121.76 125.57 3hpe s ALA 131 Ca 0.04 1.65 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 3hpe s ALA 131 Cb -0.16 -0.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.99 3hpe s ALA 131 CO 0.00 -0.29 0.97 -1.25 0.00 0.00 0.00 175.76 175.19 3hpe s PRO 132 N -1.01 4.79 0.19 0.00 0.04 -1.26 -4.76 135.00 132.99 3hpe s PRO 132 Ca 0.00 1.52 0.09 0.00 0.04 0.00 0.00 61.00 62.66 3hpe s PRO 132 Cb -0.01 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3hpe s PRO 132 CO -0.00 0.40 -0.09 -0.51 0.04 0.00 0.00 177.00 176.84 3hpe s LEU 133 N -0.91 2.99 -0.11 -3.56 2.01 0.39 -4.99 118.68 114.50 3hpe s LEU 133 Ca 0.43 -0.59 0.03 0.00 0.01 0.00 0.00 54.13 54.01 3hpe s LEU 133 Cb -0.26 -1.65 0.01 0.00 0.01 0.00 0.00 46.19 44.29 3hpe s LEU 133 CO 0.33 0.09 -0.21 -1.58 1.01 0.00 0.00 176.35 175.98 3hpe s GLN 134 N -2.93 2.82 -0.23 1.70 0.74 -1.26 -0.89 119.66 119.61 3hpe s GLN 134 Ca 0.26 -0.79 -0.29 0.00 0.05 0.00 0.00 55.36 54.59 3hpe s GLN 134 Cb -0.08 -2.21 -0.04 0.00 1.10 0.00 0.00 33.01 31.77 3hpe s GLN 134 CO 0.16 0.08 1.94 1.21 -0.55 0.00 0.00 175.29 178.13 3hpe s ASN 135 N 0.59 5.88 0.54 6.67 3.84 -0.03 -4.88 114.94 127.55 3hpe s ASN 135 Ca -0.13 1.73 0.27 0.00 0.21 0.00 0.00 52.86 54.93 3hpe s ASN 135 Cb -0.17 -2.52 1.43 0.00 -0.55 0.00 0.00 41.25 39.44 3hpe s ASN 135 CO 0.04 -1.65 1.97 1.55 -2.79 0.00 0.00 177.10 176.22 3hpe h PRO 136 N 13.06 0.00 0.00 0.43 0.13 -1.96 0.20 132.00 143.86 3hpe h PRO 136 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3hpe h PRO 136 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hpe h PRO 136 CO 0.99 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.43 3hpe n MET 137 N -4.27 0.00 -0.24 0.86 2.81 -1.26 -4.47 117.12 110.55 3hpe n MET 137 Ca 0.11 0.44 0.07 0.00 -1.81 0.00 0.00 57.70 56.51 3hpe n MET 137 Cb 0.66 -0.94 0.19 0.00 -0.71 0.00 0.00 33.22 32.42 3hpe n MET 137 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3hpe n ASN 138 N -1.89 2.41 0.00 7.83 0.23 -1.21 -4.93 115.26 117.70 3hpe n ASN 138 Ca 0.00 -2.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.00 3hpe n ASN 138 Cb 0.00 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 3hpe n ASN 138 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3hpe n LYS 139 N 0.70 -1.31 -2.65 -3.83 4.76 0.71 -4.94 118.16 111.60 3hpe n LYS 139 Ca 0.14 0.31 -0.37 0.00 -2.87 0.00 0.00 58.31 55.52 3hpe n LYS 139 Cb 0.40 -4.68 -0.05 0.00 -1.84 0.00 0.00 35.03 28.86 3hpe n LYS 139 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hpe s LYS 140 N -1.57 4.39 0.16 1.97 1.02 -1.26 -4.64 119.74 119.81 3hpe s LYS 140 Ca 0.00 1.45 -0.30 0.00 0.02 0.00 0.00 55.97 57.14 3hpe s LYS 140 Cb 0.00 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 3hpe s LYS 140 CO 0.00 0.08 0.96 -2.00 -0.92 0.00 0.00 175.35 173.46 3hpe s GLU 141 N -2.23 4.76 0.33 1.68 2.12 -1.26 -0.85 118.70 123.25 3hpe s GLU 141 Ca 0.53 1.47 0.03 0.00 0.36 0.00 0.00 54.97 57.37 3hpe s GLU 141 Cb -0.21 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 3hpe s GLU 141 CO 0.27 0.32 0.37 1.97 -0.54 0.00 0.00 175.26 177.65 3hpe n PHE 142 N 2.30 -1.08 -3.95 5.30 -1.74 -0.07 -2.30 117.46 115.92 3hpe n PHE 142 Ca 0.01 -2.52 -0.09 0.00 -0.56 0.00 0.00 57.45 54.29 3hpe n PHE 142 Cb 0.48 0.40 -0.10 0.00 1.52 0.00 0.00 39.48 41.79 3hpe n PHE 142 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hpe s MET 143 N -3.06 0.50 -0.17 3.97 0.23 -0.74 -0.46 119.30 119.57 3hpe s MET 143 Ca 0.34 -0.70 -0.04 0.00 -1.03 0.00 0.00 55.69 54.27 3hpe s MET 143 Cb 0.01 0.19 -0.02 0.00 -1.53 0.00 0.00 34.83 33.47 3hpe s MET 143 CO 0.24 -0.11 -0.04 0.08 -2.03 0.00 0.00 175.02 173.16 3hpe s VAL 144 N -2.20 3.76 -0.16 5.16 1.01 0.06 -1.68 120.40 126.35 3hpe s VAL 144 Ca -0.09 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3hpe s VAL 144 Cb -0.04 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3hpe s VAL 144 CO -0.03 0.48 -0.20 -0.22 0.00 0.00 0.00 175.10 175.12 3hpe s LEU 145 N 0.58 2.08 -0.08 3.92 0.20 -0.52 -0.36 118.68 124.50 3hpe s LEU 145 Ca -0.03 -0.61 0.04 0.00 0.69 0.00 0.00 54.13 54.22 3hpe s LEU 145 Cb -0.14 -1.43 -0.01 0.00 -0.43 0.00 0.00 46.19 44.17 3hpe s LEU 145 CO 0.03 0.03 -0.21 -1.10 -0.29 0.00 0.00 176.35 174.81 3hpe s GLN 146 N 1.07 2.84 -0.03 1.98 -0.21 0.56 -1.71 119.66 124.16 3hpe s GLN 146 Ca -0.01 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.55 3hpe s GLN 146 Cb -0.14 -2.31 0.02 0.00 1.00 0.00 0.00 33.01 31.58 3hpe s GLN 146 CO -0.07 0.32 -0.01 0.00 -2.12 0.00 0.00 175.29 173.41 3hpe s ALA 147 N 0.00 0.38 0.03 6.09 0.00 -0.33 0.37 121.76 128.30 3hpe s ALA 147 Ca -0.07 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.03 3hpe s ALA 147 Cb -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3hpe s ALA 147 CO 0.05 -0.04 -0.15 -1.21 0.00 0.00 0.00 175.76 174.42 3hpe s GLU 148 N 0.85 1.03 0.00 0.00 2.02 -0.24 0.41 118.70 122.77 3hpe s GLU 148 Ca -0.09 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3hpe s GLU 148 Cb -0.12 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.06 3hpe s GLU 148 CO -0.01 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.94 3hpe n GLY 149 N 2.05 1.83 3.26 -1.39 0.00 -0.50 -0.64 105.19 109.79 3hpe n GLY 149 Ca -0.17 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 3hpe n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpe s LYS 150 N -0.68 0.59 0.27 1.61 -2.85 -1.26 0.16 119.74 117.58 3hpe s LYS 150 Ca 0.00 0.12 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 3hpe s LYS 150 Cb 0.00 0.27 -0.06 0.00 -2.06 0.00 0.00 37.83 35.99 3hpe s LYS 150 CO 0.00 -0.14 0.04 0.96 0.10 0.00 0.00 175.35 176.32 3hpe s ILE 151 N -0.70 0.94 -0.33 3.79 -4.36 0.05 -4.91 121.20 115.68 3hpe s ILE 151 Ca -0.08 -2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 58.17 3hpe s ILE 151 Cb -0.04 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 41.09 3hpe s ILE 151 CO 0.03 -0.14 0.23 0.21 0.24 0.00 0.00 174.94 175.51 3hpe s ASN 152 N -3.36 6.05 0.48 4.36 3.84 -1.26 -0.28 114.94 124.76 3hpe s ASN 152 Ca 0.33 -0.37 0.22 0.00 0.21 0.00 0.00 52.86 53.26 3hpe s ASN 152 Cb 0.07 -2.13 1.25 0.00 -0.55 0.00 0.00 41.25 39.89 3hpe s ASN 152 CO 0.12 -0.21 1.91 0.08 -2.79 0.00 0.00 177.10 176.21 3hpe h ARG 153 N 8.47 0.21 0.00 0.43 0.11 -1.37 0.61 114.38 122.85 3hpe h ARG 153 Ca -0.32 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 59.69 3hpe h ARG 153 Cb 1.16 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 3hpe h ARG 153 CO 0.62 0.14 -0.28 0.87 0.10 0.00 0.00 179.97 181.42 3hpe h LYS 154 N 0.21 0.00 0.00 0.08 1.57 -1.78 -2.10 116.57 114.56 3hpe h LYS 154 Ca 0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 3hpe h LYS 154 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hpe h LYS 154 CO -0.08 0.28 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.59 3hpe h ASP 155 N 0.00 0.00 -0.13 0.86 5.19 -1.24 -1.02 116.42 120.09 3hpe h ASP 155 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hpe h ASP 155 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 3hpe h ASP 155 CO 0.04 0.05 0.00 0.49 -3.12 0.00 0.00 179.24 176.70 3hpe n PHE 156 N -3.52 0.14 -1.57 4.55 3.72 -0.91 -4.98 117.46 114.90 3hpe n PHE 156 Ca -0.02 -0.08 -0.02 0.00 -0.05 0.00 0.00 57.45 57.28 3hpe n PHE 156 Cb 0.17 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3hpe n PHE 156 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hpe n GLY 157 N 1.24 0.40 3.55 1.37 0.00 -0.39 -4.68 105.19 106.68 3hpe n GLY 157 Ca 0.14 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 3hpe n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hpe s ILE 158 N -2.08 5.27 -0.61 -0.61 1.01 -0.84 -4.40 121.20 118.94 3hpe s ILE 158 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 3hpe s ILE 158 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3hpe s ILE 158 CO 0.00 0.08 0.43 0.61 0.00 0.00 0.00 174.94 176.07 3hpe n GLY 159 N 5.09 0.27 0.45 6.18 0.00 -1.14 -4.16 105.19 111.87 3hpe n GLY 159 Ca -0.13 -0.31 0.27 0.00 0.00 0.00 0.00 46.02 45.85 3hpe n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpe h LYS 160 N -0.99 0.23 -0.00 1.61 1.57 -1.78 -0.43 116.57 116.78 3hpe h LYS 160 Ca -0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3hpe h LYS 160 Cb 1.16 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3hpe h LYS 160 CO 0.24 0.15 -0.03 0.25 -0.57 0.00 0.00 179.45 179.49 3hpe n THR 161 N -4.46 0.00 -3.82 -0.16 -2.24 -1.26 -4.78 114.28 97.56 3hpe n THR 161 Ca 0.25 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.61 3hpe n THR 161 Cb 1.01 -0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 3hpe n THR 161 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hpe s PHE 162 N -2.21 3.11 0.65 4.78 0.08 -0.17 -5.07 117.98 119.14 3hpe s PHE 162 Ca 0.38 -0.32 -0.16 0.00 0.12 0.00 0.00 56.93 56.95 3hpe s PHE 162 Cb 0.21 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.45 3hpe s PHE 162 CO 0.41 -0.26 1.16 0.45 -0.10 0.00 0.00 175.22 176.88 3hpe s SER 163 N 1.38 4.92 0.53 1.36 0.15 -1.26 -4.80 113.70 115.98 3hpe s SER 163 Ca 0.05 2.22 0.35 0.00 0.70 0.00 0.00 55.95 59.27 3hpe s SER 163 Cb -0.15 -2.58 1.71 0.00 -1.71 0.00 0.00 66.02 63.29 3hpe s SER 163 CO 0.04 -1.76 2.06 -0.78 1.20 0.00 0.00 173.24 173.99 3hpe h ASP 164 N 0.27 0.00 0.63 5.45 3.58 -1.95 -0.72 116.42 123.67 3hpe h ASP 164 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 3hpe h ASP 164 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 3hpe h ASP 164 CO 0.53 0.00 -0.39 0.00 -2.88 0.00 0.00 179.24 176.50 3hpe n ALA 165 N -2.01 3.25 -0.11 -0.78 0.00 -1.26 -3.44 120.51 116.17 3hpe n ALA 165 Ca -0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 52.94 3hpe n ALA 165 Cb 0.17 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 3hpe n ALA 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hpe n VAL 166 N -1.52 1.43 -4.03 0.00 0.31 -0.40 -3.64 118.33 110.48 3hpe n VAL 166 Ca 0.06 -0.17 -0.31 0.00 -0.01 0.00 0.00 64.34 63.91 3hpe n VAL 166 Cb 0.34 -2.01 -0.16 0.00 -0.91 0.00 0.00 33.84 31.11 3hpe n VAL 166 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hpe s VAL 167 N -2.60 1.79 0.18 2.52 1.01 -0.51 -1.13 120.40 121.66 3hpe s VAL 167 Ca -0.32 -1.08 -0.32 0.00 0.00 0.00 0.00 61.98 60.26 3hpe s VAL 167 Cb 0.10 -1.82 -0.16 0.00 0.00 0.00 0.00 36.38 34.50 3hpe s VAL 167 CO 0.43 0.21 1.06 0.61 0.00 0.00 0.00 175.10 177.40 3hpe n GLY 168 N 4.64 -0.24 0.18 4.51 0.00 0.34 -3.93 105.19 110.68 3hpe n GLY 168 Ca -0.16 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.29 3hpe n GLY 168 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hpe h ASP 169 N 2.85 0.38 -3.41 1.61 3.32 -1.91 -3.44 116.42 115.82 3hpe h ASP 169 Ca -0.41 -0.22 -0.55 0.00 0.02 0.00 0.00 57.03 55.87 3hpe h ASP 169 Cb 1.36 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 3hpe h ASP 169 CO 0.67 0.91 0.21 -0.70 -1.72 0.00 0.00 179.24 178.60 3hpe s GLU 170 N -3.76 4.51 -0.12 3.56 2.12 -1.26 -0.94 118.70 122.80 3hpe s GLU 170 Ca -0.05 1.13 0.01 0.00 0.36 0.00 0.00 54.97 56.42 3hpe s GLU 170 Cb 0.11 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 31.10 3hpe s GLU 170 CO 0.81 0.09 -0.15 0.08 -0.54 0.00 0.00 175.26 175.55 3hpe s VAL 171 N 0.61 1.56 -0.04 3.70 1.01 0.61 -4.48 120.40 123.37 3hpe s VAL 171 Ca 0.43 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3hpe s VAL 171 Cb -0.20 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3hpe s VAL 171 CO 0.23 0.45 0.55 -0.75 0.00 0.00 0.00 175.10 175.58 3hpe s LYS 172 N 1.16 4.28 -0.14 2.72 2.20 -0.46 -0.77 119.74 128.74 3hpe s LYS 172 Ca -0.02 0.63 -0.02 0.00 -0.36 0.00 0.00 55.97 56.19 3hpe s LYS 172 Cb -0.14 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3hpe s LYS 172 CO -0.05 0.34 -0.07 0.42 -0.36 0.00 0.00 175.35 175.63 3hpe s ILE 173 N -0.03 3.63 -0.07 5.43 -1.09 0.12 -1.89 121.20 127.31 3hpe s ILE 173 Ca 0.29 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3hpe s ILE 173 Cb -0.17 -2.56 0.02 0.00 -1.58 0.00 0.00 42.46 38.16 3hpe s ILE 173 CO 0.15 0.51 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.66 3hpe s GLU 174 N 0.23 1.49 -0.19 2.79 2.02 -0.71 -1.41 118.70 122.91 3hpe s GLU 174 Ca -0.04 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 3hpe s GLU 174 Cb -0.14 -1.32 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 3hpe s GLU 174 CO 0.04 -0.04 -0.02 -0.51 0.02 0.00 0.00 175.26 174.74 3hpe s LEU 175 N 0.89 3.17 -0.32 1.80 1.43 0.16 -0.13 118.68 125.69 3hpe s LEU 175 Ca -0.11 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3hpe s LEU 175 Cb -0.15 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.38 3hpe s LEU 175 CO 0.01 0.07 0.08 -0.54 0.23 0.00 0.00 176.35 176.20 3hpe s LYS 176 N 0.95 0.94 -0.07 1.70 1.02 -0.47 -1.19 119.74 122.61 3hpe s LYS 176 Ca 0.01 -1.30 0.05 0.00 0.02 0.00 0.00 55.97 54.75 3hpe s LYS 176 Cb -0.14 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 3hpe s LYS 176 CO 0.01 -0.97 -0.23 -0.51 -0.92 0.00 0.00 175.35 172.74 3hpe s LEU 177 N 1.41 2.03 -0.17 3.17 1.43 -0.69 0.17 118.68 126.02 3hpe s LEU 177 Ca 0.10 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3hpe s LEU 177 Cb -0.18 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3hpe s LEU 177 CO -0.20 0.19 0.01 -1.61 0.23 0.00 0.00 176.35 174.98 3hpe s GLU 178 N 0.06 3.81 -0.06 1.70 2.02 -1.25 -1.44 118.70 123.54 3hpe s GLU 178 Ca -0.09 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.48 3hpe s GLU 178 Cb -0.15 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.03 3hpe s GLU 178 CO 0.05 0.24 -0.07 0.00 0.02 0.00 0.00 175.26 175.49 3hpe s ALA 179 N 0.43 0.97 -0.14 5.21 0.00 -0.68 -0.62 121.76 126.93 3hpe s ALA 179 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 3hpe s ALA 179 Cb -0.13 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3hpe s ALA 179 CO 0.02 -0.04 0.21 0.71 0.00 0.00 0.00 175.76 176.65 3hpe s TYR 180 N 0.98 3.51 -1.97 0.00 4.12 -0.33 -1.79 117.35 121.88 3hpe s TYR 180 Ca -0.10 0.53 0.00 0.00 0.02 0.00 0.00 57.07 57.53 3hpe s TYR 180 Cb -0.15 -2.16 0.00 0.00 -1.52 0.00 0.00 41.96 38.14 3hpe s TYR 180 CO 0.00 0.45 0.49 0.00 0.02 0.00 0.00 175.55 176.51