#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhl s VAL 2 N 0.00 4.01 -0.00 3.15 1.01 -1.26 -1.78 120.40 125.53 1jhl s VAL 2 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1jhl s VAL 2 Cb 0.00 -2.74 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1jhl s VAL 2 CO 0.00 0.52 0.42 -0.31 0.00 0.00 0.00 175.10 175.73 1jhl s TYR 3 N 0.06 3.72 0.08 5.22 1.51 -0.69 -5.03 117.35 122.22 1jhl s TYR 3 Ca 0.00 1.00 -0.17 0.00 -1.01 0.00 0.00 57.07 56.90 1jhl s TYR 3 Cb -0.13 -2.31 -0.07 0.00 -0.11 0.00 0.00 41.96 39.34 1jhl s TYR 3 CO 0.02 0.61 0.53 0.20 -1.11 0.00 0.00 175.55 175.81 1jhl s GLY 4 N -0.98 2.58 0.23 0.71 0.00 -1.26 -4.85 107.32 103.75 1jhl s GLY 4 Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 1jhl s GLY 4 CO 0.13 0.32 1.71 0.07 0.00 0.00 0.00 173.10 175.33 1jhl h ARG 5 N 4.31 0.30 -0.26 2.90 0.11 -1.99 0.43 114.38 120.18 1jhl h ARG 5 Ca -0.50 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1jhl h ARG 5 Cb 1.21 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 1jhl h ARG 5 CO 0.64 0.20 0.17 0.00 0.10 0.00 0.00 179.97 181.07 1jhl h GLU 7 N 0.34 0.39 0.49 0.00 4.81 -1.59 0.11 114.58 119.14 1jhl h GLU 7 Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1jhl h GLU 7 Cb -0.01 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1jhl h GLU 7 CO -0.02 0.26 -0.23 1.25 -0.73 0.00 0.00 179.01 179.53 1jhl h LEU 8 N 0.40 -0.56 -0.33 1.64 5.85 0.09 -3.20 115.31 119.20 1jhl h LEU 8 Ca 0.40 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.12 1jhl h LEU 8 Cb 0.62 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1jhl h LEU 8 CO -0.41 -0.22 -0.36 0.00 -0.34 0.00 0.00 178.44 177.12 1jhl h ALA 9 N -0.59 -0.30 -0.32 1.25 0.00 0.38 -1.21 119.26 118.47 1jhl h ALA 9 Ca -0.07 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1jhl h ALA 9 Cb 0.60 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1jhl h ALA 9 CO 0.11 -0.78 0.23 0.00 0.00 0.00 0.00 179.25 178.80 1jhl h ALA 10 N 0.57 2.30 0.00 0.00 0.00 -0.91 0.62 119.26 121.85 1jhl h ALA 10 Ca 0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1jhl h ALA 10 Cb 0.56 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jhl h ALA 10 CO -0.50 -0.39 -0.63 0.00 0.00 0.00 0.00 179.25 177.72 1jhl h ALA 11 N 1.84 0.70 0.13 0.00 0.00 -1.24 0.11 119.26 120.79 1jhl h ALA 11 Ca 0.15 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 54.32 1jhl h ALA 11 Cb 0.61 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.42 1jhl h ALA 11 CO -0.00 0.57 -1.26 0.52 0.00 0.00 0.00 179.25 179.08 1jhl h MET 12 N 0.00 0.57 -0.04 0.00 2.86 -0.28 -2.09 114.93 115.94 1jhl h MET 12 Ca -0.03 -0.79 -0.03 0.00 -2.06 0.00 0.00 59.70 56.78 1jhl h MET 12 Cb 1.35 0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.28 1jhl h MET 12 CO 0.05 1.36 -0.10 -0.22 1.06 0.00 0.00 176.91 179.06 1jhl h LYS 13 N 0.24 0.14 -0.86 1.72 3.64 -0.89 -0.31 116.57 120.25 1jhl h LYS 13 Ca -0.19 -0.10 0.11 0.00 -1.27 0.00 0.00 60.65 59.21 1jhl h LYS 13 Cb 1.94 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.71 1jhl h LYS 13 CO 0.24 0.70 0.55 -0.09 -2.27 0.00 0.00 179.45 178.58 1jhl h ARG 14 N -0.39 0.74 -0.43 1.90 2.43 -0.91 -2.00 114.38 115.72 1jhl h ARG 14 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1jhl h ARG 14 Cb 0.70 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1jhl h ARG 14 CO 0.02 0.49 0.00 -0.12 -1.51 0.00 0.00 179.97 178.85 1jhl n MET 15 N -4.53 0.95 -2.19 0.20 1.56 -0.79 -4.90 117.12 107.42 1jhl n MET 15 Ca 0.15 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 57.50 1jhl n MET 15 Cb 0.37 -1.21 -0.00 0.00 2.15 0.00 0.00 33.22 34.52 1jhl n MET 15 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1jhl n GLY 16 N 0.26 0.05 0.27 -5.12 0.00 -0.75 -4.97 105.19 94.93 1jhl n GLY 16 Ca 0.00 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.59 1jhl n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jhl n LEU 17 N -1.23 1.56 -4.60 0.99 7.94 -0.14 -4.49 117.00 117.03 1jhl n LEU 17 Ca -0.09 -0.64 -0.43 0.00 -1.11 0.00 0.00 56.01 53.73 1jhl n LEU 17 Cb 0.57 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.49 1jhl n LEU 17 CO 0.12 0.32 1.62 -0.62 -1.11 0.00 0.00 177.39 177.72 1jhl s ASP 18 N -2.69 5.79 -0.97 1.96 2.15 -1.26 -2.07 116.67 119.58 1jhl s ASP 18 Ca 0.14 1.49 0.00 0.00 0.43 0.00 0.00 52.55 54.60 1jhl s ASP 18 Cb 0.17 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1jhl s ASP 18 CO 0.70 -1.76 0.00 -3.20 -0.17 0.00 0.00 175.17 170.74 1jhl n ASN 19 N 10.60 -4.36 -4.72 -0.34 5.15 0.12 -4.88 115.26 116.83 1jhl n ASN 19 Ca 0.25 0.23 -0.42 0.00 -0.60 0.00 0.00 54.58 54.04 1jhl n ASN 19 Cb 0.46 -2.66 -0.03 0.00 -0.53 0.00 0.00 39.78 37.02 1jhl n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1jhl s TYR 20 N -2.25 3.22 -1.03 1.20 5.04 -0.88 -2.47 117.35 120.18 1jhl s TYR 20 Ca 0.00 1.01 -0.10 0.00 -2.44 0.00 0.00 57.07 55.54 1jhl s TYR 20 Cb 0.00 -3.68 0.09 0.00 0.35 0.00 0.00 41.96 38.72 1jhl s TYR 20 CO 0.00 -2.33 0.34 -2.13 -1.34 0.00 0.00 175.55 170.09 1jhl n ARG 21 N 3.51 -2.48 -0.85 4.97 3.00 -1.26 -2.04 116.66 121.52 1jhl n ARG 21 Ca 0.10 0.24 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1jhl n ARG 21 Cb 0.42 -4.84 0.00 0.00 0.00 0.00 0.00 32.46 28.04 1jhl n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jhl n GLY 22 N -0.91 0.88 3.51 5.14 0.00 -1.03 -5.02 105.19 107.75 1jhl n GLY 22 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1jhl n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jhl s TYR 23 N -3.49 3.19 1.23 1.61 2.02 -0.86 -4.87 117.35 116.18 1jhl s TYR 23 Ca 0.00 -0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.28 1jhl s TYR 23 Cb 0.00 -2.81 0.30 0.00 -0.40 0.00 0.00 41.96 39.05 1jhl s TYR 23 CO 0.00 -0.60 1.05 -1.54 -1.57 0.00 0.00 175.55 172.89 1jhl s SER 24 N 1.78 0.58 0.05 2.29 1.04 -1.26 0.11 113.70 118.29 1jhl s SER 24 Ca 0.12 0.88 -0.29 0.00 0.48 0.00 0.00 55.95 57.14 1jhl s SER 24 Cb -0.17 -1.30 -0.18 0.00 0.10 0.00 0.00 66.02 64.48 1jhl s SER 24 CO 0.13 -4.36 1.48 0.25 0.98 0.00 0.00 173.24 171.72 1jhl h LEU 25 N -2.74 -0.59 -0.49 2.42 6.46 -1.90 -2.41 115.31 116.07 1jhl h LEU 25 Ca -0.48 -0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.36 1jhl h LEU 25 Cb 1.32 0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 41.31 1jhl h LEU 25 CO 0.38 -0.33 -0.07 0.61 -0.62 0.00 0.00 178.44 178.41 1jhl n GLY 26 N -1.05 -0.77 0.13 3.75 0.00 -1.26 -1.17 105.19 104.83 1jhl n GLY 26 Ca -0.12 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 1jhl n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jhl h ASN 27 N 0.00 -0.27 -0.93 1.61 2.35 -1.67 -0.19 115.58 116.48 1jhl h ASN 27 Ca 0.26 0.07 0.06 0.00 -0.55 0.00 0.00 56.30 56.13 1jhl h ASN 27 Cb 0.45 0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 1jhl h ASN 27 CO -0.49 -0.11 0.60 -0.50 -1.65 0.00 0.00 177.43 175.28 1jhl h TRP 28 N -0.07 1.11 0.01 1.19 4.06 -1.24 -0.79 115.95 120.23 1jhl h TRP 28 Ca 0.09 0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.96 1jhl h TRP 28 Cb 0.20 -0.36 0.01 0.00 -1.00 0.00 0.00 29.16 28.01 1jhl h TRP 28 CO -0.23 0.59 -0.43 0.28 -3.56 0.00 0.00 178.44 175.09 1jhl h VAL 29 N 1.11 1.50 -0.95 1.49 2.07 -1.25 -2.29 116.25 117.93 1jhl h VAL 29 Ca 0.39 -2.06 0.01 0.00 0.82 0.00 0.00 66.70 65.87 1jhl h VAL 29 Cb 0.12 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1jhl h VAL 29 CO -0.16 0.58 0.61 0.00 0.02 0.00 0.00 177.57 178.63 1jhl h ALA 31 N 1.34 0.72 -0.35 0.00 0.00 -1.13 -2.57 119.26 117.27 1jhl h ALA 31 Ca 0.35 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1jhl h ALA 31 Cb -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jhl h ALA 31 CO -0.07 0.79 -0.18 0.00 0.00 0.00 0.00 179.25 179.79 1jhl h ALA 32 N 1.10 1.03 -0.54 0.00 0.00 -1.20 0.16 119.26 119.81 1jhl h ALA 32 Ca -0.02 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1jhl h ALA 32 Cb 1.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1jhl h ALA 32 CO 0.11 0.58 0.32 -0.22 0.00 0.00 0.00 179.25 180.04 1jhl h LYS 33 N 0.59 0.61 0.03 0.00 1.63 -1.25 0.53 116.57 118.72 1jhl h LYS 33 Ca 0.09 -0.04 -0.29 0.00 -0.85 0.00 0.00 60.65 59.56 1jhl h LYS 33 Cb 0.63 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1jhl h LYS 33 CO 0.04 0.40 -1.63 0.74 -3.45 0.00 0.00 179.45 175.56 1jhl h PHE 34 N 0.63 0.12 0.19 1.91 0.04 -1.37 -1.75 116.94 116.71 1jhl h PHE 34 Ca 0.22 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 1jhl h PHE 34 Cb 0.04 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1jhl h PHE 34 CO -0.07 1.15 -0.09 0.93 -0.60 0.00 0.00 178.31 179.63 1jhl h GLU 35 N 0.02 -0.25 -0.06 1.51 4.39 -0.63 -3.41 114.58 116.15 1jhl h GLU 35 Ca -0.26 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1jhl h GLU 35 Cb 1.98 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1jhl h GLU 35 CO 0.10 -0.17 0.00 -1.13 -1.16 0.00 0.00 179.01 176.65 1jhl n SER 36 N -4.20 1.95 -3.48 1.42 3.41 0.18 -4.78 113.62 108.12 1jhl n SER 36 Ca -0.03 -1.49 -0.18 0.00 -0.26 0.00 0.00 58.87 56.90 1jhl n SER 36 Cb 0.10 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1jhl n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jhl n ASN 37 N 0.49 -2.17 -3.80 4.04 4.05 -0.63 -3.44 115.26 113.80 1jhl n ASN 37 Ca 0.06 -0.67 -0.26 0.00 0.45 0.00 0.00 54.58 54.16 1jhl n ASN 37 Cb 0.26 -4.90 0.01 0.00 1.23 0.00 0.00 39.78 36.38 1jhl n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1jhl n PHE 38 N -4.10 -1.80 -3.69 1.20 3.72 -1.23 -4.87 117.46 106.68 1jhl n PHE 38 Ca -0.28 0.69 -0.29 0.00 -0.05 0.00 0.00 57.45 57.53 1jhl n PHE 38 Cb 0.67 -3.85 -0.16 0.00 -0.94 0.00 0.00 39.48 35.20 1jhl n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jhl s ASN 39 N -4.11 3.40 0.30 4.37 3.84 -1.22 -1.71 114.94 119.82 1jhl s ASN 39 Ca 0.14 -1.19 0.22 0.00 0.21 0.00 0.00 52.86 52.24 1jhl s ASN 39 Cb -0.05 -0.63 1.10 0.00 -0.55 0.00 0.00 41.25 41.13 1jhl s ASN 39 CO 0.86 -0.37 1.67 0.35 -2.79 0.00 0.00 177.10 176.81 1jhl n THR 40 N 5.03 0.99 1.15 -5.21 -2.24 -0.73 -2.07 114.28 111.19 1jhl n THR 40 Ca -0.06 0.58 0.12 0.00 -2.27 0.00 0.00 64.05 62.42 1jhl n THR 40 Cb 0.44 -1.56 0.36 0.00 -2.10 0.00 0.00 70.33 67.48 1jhl n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhl n GLY 41 N -0.90 0.49 3.74 3.38 0.00 -1.26 -3.68 105.19 106.96 1jhl n GLY 41 Ca -0.00 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1jhl n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhl n ALA 42 N 0.58 1.39 -2.70 4.61 0.00 -0.88 -4.79 120.51 118.72 1jhl n ALA 42 Ca 0.17 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 1jhl n ALA 42 Cb 0.41 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 1jhl n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jhl s THR 43 N -1.33 0.27 -0.26 0.00 2.01 -1.26 -0.13 115.64 114.93 1jhl s THR 43 Ca 0.77 -1.22 -0.25 0.00 0.31 0.00 0.00 61.69 61.30 1jhl s THR 43 Cb -0.40 -0.71 0.09 0.00 0.01 0.00 0.00 72.50 71.49 1jhl s THR 43 CO 0.45 -0.61 0.86 0.21 -0.69 0.00 0.00 174.62 174.84 1jhl s ASN 44 N -1.92 -0.60 -0.17 3.53 3.04 -1.01 -4.94 114.94 112.87 1jhl s ASN 44 Ca -0.08 1.12 0.01 0.00 0.04 0.00 0.00 52.86 53.96 1jhl s ASN 44 Cb -0.05 1.12 0.01 0.00 -1.54 0.00 0.00 41.25 40.80 1jhl s ASN 44 CO -0.03 -0.23 -0.20 -0.13 -3.04 0.00 0.00 177.10 173.48 1jhl s ARG 45 N 0.18 3.03 0.52 0.43 0.52 -1.26 -1.40 118.95 120.96 1jhl s ARG 45 Ca 0.01 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 1jhl s ARG 45 Cb -0.05 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.90 1jhl s ARG 45 CO -0.02 -0.14 0.72 -0.80 0.02 0.00 0.00 175.30 175.08 1jhl s ASN 46 N 1.14 5.36 0.49 0.23 0.02 -0.17 -4.99 114.94 117.03 1jhl s ASN 46 Ca 0.01 -0.15 0.18 0.00 -1.02 0.00 0.00 52.86 51.88 1jhl s ASN 46 Cb -0.14 -0.77 1.22 0.00 0.02 0.00 0.00 41.25 41.58 1jhl s ASN 46 CO -0.09 -1.05 2.05 0.71 0.02 0.00 0.00 177.10 178.73 1jhl h THR 47 N 0.22 0.89 0.00 1.60 1.35 -1.99 -1.94 112.91 113.04 1jhl h THR 47 Ca -0.41 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1jhl h THR 47 Cb 1.29 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1jhl h THR 47 CO 0.50 0.03 0.00 0.47 -0.25 0.00 0.00 175.52 176.26 1jhl n ASP 48 N -4.46 0.00 -0.88 5.36 8.00 -1.26 -4.77 116.55 118.53 1jhl n ASP 48 Ca 0.05 -0.84 -0.08 0.00 0.71 0.00 0.00 54.79 54.63 1jhl n ASP 48 Cb 0.34 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1jhl n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jhl n GLY 49 N 0.02 0.07 2.96 0.44 0.00 -0.73 -5.03 105.19 102.93 1jhl n GLY 49 Ca 0.05 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 1jhl n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jhl s SER 50 N -2.65 0.73 -0.02 1.61 0.01 -1.25 -4.66 113.70 107.47 1jhl s SER 50 Ca 0.00 -0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.15 1jhl s SER 50 Cb 0.00 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1jhl s SER 50 CO 0.00 0.06 0.04 -0.89 0.41 0.00 0.00 173.24 172.86 1jhl s THR 51 N -0.00 4.49 -0.12 1.44 2.01 -1.26 -1.00 115.64 121.20 1jhl s THR 51 Ca 0.01 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1jhl s THR 51 Cb -0.04 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1jhl s THR 51 CO -0.00 0.40 0.22 -1.81 -0.69 0.00 0.00 174.62 172.74 1jhl s ASP 52 N -1.54 6.45 -0.07 3.53 1.01 -0.50 -0.63 116.67 124.91 1jhl s ASP 52 Ca 0.20 0.53 0.05 0.00 0.71 0.00 0.00 52.55 54.04 1jhl s ASP 52 Cb -0.12 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1jhl s ASP 52 CO 0.11 0.29 -0.24 -0.31 0.21 0.00 0.00 175.17 175.22 1jhl s TYR 53 N -0.50 2.49 0.00 4.23 2.02 0.65 -2.40 117.35 123.84 1jhl s TYR 53 Ca 0.16 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 1jhl s TYR 53 Cb -0.13 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1jhl s TYR 53 CO 0.05 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.15 1jhl n GLY 54 N 3.15 0.96 0.34 0.71 0.00 0.81 -1.97 105.19 109.18 1jhl n GLY 54 Ca -0.18 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.12 1jhl n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jhl h ILE 55 N 0.00 0.07 -1.66 -0.61 6.09 -1.62 -1.81 117.51 117.98 1jhl h ILE 55 Ca 0.00 -0.00 -0.68 0.00 -1.37 0.00 0.00 64.86 62.81 1jhl h ILE 55 Cb 0.00 0.07 -0.34 0.00 0.47 0.00 0.00 36.82 37.01 1jhl h ILE 55 CO 0.00 0.00 0.21 0.18 -3.07 0.00 0.00 178.15 175.47 1jhl n LEU 56 N -5.56 6.25 0.00 2.19 4.77 -1.26 -3.11 117.00 120.28 1jhl n LEU 56 Ca 0.16 -4.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 1jhl n LEU 56 Cb 0.52 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1jhl n LEU 56 CO -0.08 1.95 0.00 0.00 -1.33 0.00 0.00 177.39 177.94 1jhl n GLN 57 N -0.55 0.00 -2.49 3.23 1.13 -0.68 -4.84 117.38 113.17 1jhl n GLN 57 Ca 0.48 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 55.11 1jhl n GLN 57 Cb 0.48 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.81 1jhl n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jhl s ILE 58 N 0.00 4.37 0.31 5.09 1.01 -0.83 -4.53 121.20 126.62 1jhl s ILE 58 Ca 0.00 1.67 -0.27 0.00 0.00 0.00 0.00 60.65 62.05 1jhl s ILE 58 Cb 0.00 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 1jhl s ILE 58 CO 0.00 -0.07 1.01 0.21 0.00 0.00 0.00 174.94 176.08 1jhl s ASN 59 N 1.59 7.25 -0.01 3.58 3.84 -1.26 -0.25 114.94 129.68 1jhl s ASN 59 Ca 0.53 2.02 0.12 0.00 0.21 0.00 0.00 52.86 55.74 1jhl s ASN 59 Cb -0.22 -2.60 0.37 0.00 -0.55 0.00 0.00 41.25 38.25 1jhl s ASN 59 CO 0.17 -0.13 1.29 -1.54 -2.79 0.00 0.00 177.10 174.10 1jhl n SER 60 N 0.78 2.29 0.07 -4.21 3.41 0.20 -2.23 113.62 113.92 1jhl n SER 60 Ca 0.01 -2.04 -0.12 0.00 -0.26 0.00 0.00 58.87 56.46 1jhl n SER 60 Cb 0.48 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.00 1jhl n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1jhl h ARG 61 N 2.38 0.14 0.00 4.33 2.47 -1.87 -3.40 114.38 118.43 1jhl h ARG 61 Ca 0.00 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1jhl h ARG 61 Cb 0.60 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1jhl h ARG 61 CO 0.02 1.07 -0.56 0.91 0.56 0.00 0.00 179.97 181.97 1jhl n TRP 62 N -3.41 -0.08 0.12 3.04 7.02 -1.25 -2.44 117.44 120.44 1jhl n TRP 62 Ca -0.07 0.01 -0.19 0.00 -1.02 0.00 0.00 57.50 56.23 1jhl n TRP 62 Cb 1.00 0.04 -0.15 0.00 -2.42 0.00 0.00 31.31 29.78 1jhl n TRP 62 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1jhl h TRP 63 N 0.00 0.69 -3.87 -5.99 4.06 -1.71 1.11 115.95 110.24 1jhl h TRP 63 Ca 0.00 -0.50 -0.14 0.00 2.06 0.00 0.00 58.89 60.30 1jhl h TRP 63 Cb 0.56 -0.03 -0.19 0.00 -1.00 0.00 0.00 29.16 28.50 1jhl h TRP 63 CO 0.00 1.39 -0.60 0.00 -3.56 0.00 0.00 178.44 175.67 1jhl s ASN 65 N -1.87 6.34 0.18 0.00 3.04 -1.20 -4.50 114.94 116.93 1jhl s ASN 65 Ca -0.09 0.39 0.20 0.00 0.04 0.00 0.00 52.86 53.40 1jhl s ASN 65 Cb -0.04 -2.19 -0.01 0.00 -1.54 0.00 0.00 41.25 37.47 1jhl s ASN 65 CO -0.03 -0.02 1.05 -2.24 -3.04 0.00 0.00 177.10 172.82 1jhl h ASP 66 N 7.35 0.00 0.00 -4.21 2.03 -1.88 -0.35 116.42 119.36 1jhl h ASP 66 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1jhl h ASP 66 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1jhl h ASP 66 CO 0.70 0.23 0.00 0.61 -1.03 0.00 0.00 179.24 179.75 1jhl n GLY 67 N 1.25 3.09 0.36 7.15 0.00 -1.26 -4.78 105.19 110.99 1jhl n GLY 67 Ca -0.03 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.23 1jhl n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jhl n ARG 68 N 0.00 1.29 -3.93 1.61 0.63 -1.26 -4.84 116.66 110.16 1jhl n ARG 68 Ca 0.00 -0.71 -0.35 0.00 -0.92 0.00 0.00 57.85 55.87 1jhl n ARG 68 Cb 0.00 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 31.29 1jhl n ARG 68 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1jhl s THR 69 N -2.20 2.92 -0.13 5.15 2.01 -1.26 -4.90 115.64 117.23 1jhl s THR 69 Ca 0.33 -1.25 0.29 0.00 0.31 0.00 0.00 61.69 61.37 1jhl s THR 69 Cb 0.20 -2.61 0.31 0.00 0.01 0.00 0.00 72.50 70.42 1jhl s THR 69 CO 0.41 0.01 1.86 1.55 -0.69 0.00 0.00 174.62 177.76 1jhl h PRO 70 N 8.00 0.00 -0.41 4.92 0.13 -1.92 -3.04 132.00 139.67 1jhl h PRO 70 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1jhl h PRO 70 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jhl h PRO 70 CO 0.55 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1jhl n GLY 71 N -0.28 1.04 3.75 1.56 0.00 -1.26 -5.01 105.19 104.99 1jhl n GLY 71 Ca 0.01 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1jhl n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jhl n SER 72 N 0.79 2.97 -0.00 1.61 2.88 -1.15 -4.74 113.62 115.97 1jhl n SER 72 Ca 0.15 1.06 0.03 0.00 -1.33 0.00 0.00 58.87 58.79 1jhl n SER 72 Cb 0.38 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.21 1jhl n SER 72 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jhl n LYS 73 N -0.48 0.53 -3.93 -1.46 4.76 -1.02 -4.98 118.16 111.58 1jhl n LYS 73 Ca 0.07 -0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 55.05 1jhl n LYS 73 Cb 0.42 -1.14 0.03 0.00 -1.84 0.00 0.00 35.03 32.51 1jhl n LYS 73 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1jhl n ASN 74 N -1.69 -4.61 0.24 4.39 5.15 0.36 -4.89 115.26 114.20 1jhl n ASN 74 Ca -0.01 -1.19 0.13 0.00 -0.60 0.00 0.00 54.58 52.91 1jhl n ASN 74 Cb 0.17 -2.27 0.44 0.00 -0.53 0.00 0.00 39.78 37.59 1jhl n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jhl h LEU 75 N -2.29 0.00 0.00 1.20 3.38 0.11 0.24 115.31 117.95 1jhl h LEU 75 Ca -0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1jhl h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1jhl h LEU 75 CO 0.50 0.09 -0.42 0.00 0.09 0.00 0.00 178.44 178.70 1jhl n HIS 77 N -1.57 -3.15 -3.62 0.00 8.25 0.85 -5.01 115.22 110.96 1jhl n HIS 77 Ca 0.06 1.25 -0.10 0.00 -0.26 0.00 0.00 57.72 58.66 1jhl n HIS 77 Cb 0.35 -3.88 -0.04 0.00 1.12 0.00 0.00 29.99 27.54 1jhl n HIS 77 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1jhl s ILE 78 N -2.72 0.04 -0.18 1.59 -0.00 -1.26 -5.10 121.20 113.57 1jhl s ILE 78 Ca 0.14 -0.53 -0.29 0.00 -0.00 0.00 0.00 60.65 59.97 1jhl s ILE 78 Cb -0.04 -1.27 -0.01 0.00 -0.00 0.00 0.00 42.46 41.15 1jhl s ILE 78 CO 0.78 -0.19 1.17 -2.16 -0.00 0.00 0.00 174.94 174.54 1jhl s PRO 79 N -3.82 4.25 0.52 0.37 0.04 -1.26 -3.21 135.00 131.90 1jhl s PRO 79 Ca 0.05 1.55 0.45 0.00 0.04 0.00 0.00 61.00 63.09 1jhl s PRO 79 Cb 0.00 -3.70 1.67 0.00 0.04 0.00 0.00 34.50 32.51 1jhl s PRO 79 CO -0.09 -0.65 1.56 0.00 0.04 0.00 0.00 177.00 177.85 1jhl h SER 81 N 0.00 0.00 -0.14 0.00 4.64 -1.91 -0.22 113.55 115.91 1jhl h SER 81 Ca 0.92 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 62.08 1jhl h SER 81 Cb 3.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 65.60 1jhl h SER 81 CO -0.14 0.00 -0.52 0.00 -0.87 0.00 0.00 176.83 175.30 1jhl h ALA 82 N 1.48 0.61 0.00 5.18 0.00 -1.14 -3.25 119.26 122.14 1jhl h ALA 82 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jhl h ALA 82 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jhl h ALA 82 CO -0.00 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.21 1jhl n LEU 83 N -3.99 0.00 -0.66 0.00 4.77 -0.09 -2.07 117.00 114.95 1jhl n LEU 83 Ca -0.03 0.19 0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1jhl n LEU 83 Cb 0.60 -0.19 0.19 0.00 -2.33 0.00 0.00 43.42 41.69 1jhl n LEU 83 CO 0.48 -0.16 0.65 0.18 -1.33 0.00 0.00 177.39 177.21 1jhl n LEU 84 N -1.19 3.24 -4.76 2.23 4.32 -1.22 -4.16 117.00 115.45 1jhl n LEU 84 Ca 0.03 -2.52 -0.31 0.00 -0.02 0.00 0.00 56.01 53.19 1jhl n LEU 84 Cb 0.03 -0.37 0.10 0.00 -1.62 0.00 0.00 43.42 41.56 1jhl n LEU 84 CO 0.03 0.69 0.69 -0.55 -1.22 0.00 0.00 177.39 177.03 1jhl s SER 85 N -1.54 4.32 0.38 -1.43 0.15 -0.88 -4.61 113.70 110.09 1jhl s SER 85 Ca 0.30 1.69 0.28 0.00 0.70 0.00 0.00 55.95 58.92 1jhl s SER 85 Cb 0.22 -2.41 1.24 0.00 -1.71 0.00 0.00 66.02 63.37 1jhl s SER 85 CO 0.11 -2.13 1.83 0.28 1.20 0.00 0.00 173.24 174.53 1jhl h SER 86 N -1.20 0.00 -3.63 5.45 0.02 -1.92 -3.41 113.55 108.86 1jhl h SER 86 Ca -0.45 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.81 1jhl h SER 86 Cb 1.24 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.55 1jhl h SER 86 CO 0.53 0.00 -0.56 -0.62 -1.14 0.00 0.00 176.83 175.04 1jhl s ASP 87 N -4.66 5.52 0.00 3.07 2.15 -1.26 -4.95 116.67 116.54 1jhl s ASP 87 Ca 0.02 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.29 1jhl s ASP 87 Cb 0.09 -1.98 0.01 0.00 -0.30 0.00 0.00 42.92 40.74 1jhl s ASP 87 CO 0.40 -0.25 0.43 2.30 -0.17 0.00 0.00 175.17 177.88 1jhl n ILE 88 N 4.96 0.00 -0.20 4.11 -5.35 -1.26 -4.40 119.36 117.22 1jhl n ILE 88 Ca -0.13 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.35 1jhl n ILE 88 Cb 0.48 -0.92 0.10 0.00 -1.74 0.00 0.00 39.64 37.56 1jhl n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jhl h THR 89 N 0.00 0.60 -0.07 7.28 2.02 -1.95 0.49 112.91 121.28 1jhl h THR 89 Ca 0.00 -0.07 -0.21 0.00 0.77 0.00 0.00 66.41 66.90 1jhl h THR 89 Cb 0.00 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1jhl h THR 89 CO 0.00 0.04 -0.81 0.00 0.37 0.00 0.00 175.52 175.12 1jhl h ALA 90 N 1.49 0.45 -0.11 6.16 0.00 -1.90 -0.15 119.26 125.20 1jhl h ALA 90 Ca 0.31 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jhl h ALA 90 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jhl h ALA 90 CO -0.43 0.75 0.06 0.77 0.00 0.00 0.00 179.25 180.41 1jhl h SER 91 N 0.33 0.14 -0.39 0.00 0.02 -1.61 -0.59 113.55 111.45 1jhl h SER 91 Ca -0.05 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1jhl h SER 91 Cb 1.42 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 1jhl h SER 91 CO 0.15 0.16 -0.02 0.58 -1.14 0.00 0.00 176.83 176.55 1jhl h VAL 92 N 0.10 1.26 0.00 2.27 2.07 -0.66 0.29 116.25 121.59 1jhl h VAL 92 Ca 0.04 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1jhl h VAL 92 Cb 0.05 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1jhl h VAL 92 CO -0.01 0.35 -0.22 0.78 0.02 0.00 0.00 177.57 178.49 1jhl h ASN 93 N 0.52 0.00 0.00 0.57 -0.26 -0.75 -0.08 115.58 115.58 1jhl h ASN 93 Ca 0.11 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1jhl h ASN 93 Cb 0.50 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1jhl h ASN 93 CO 0.02 0.22 -0.02 0.00 -1.06 0.00 0.00 177.43 176.60 1jhl h ALA 95 N -0.31 3.12 -0.23 0.00 0.00 0.14 1.49 119.26 123.47 1jhl h ALA 95 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1jhl h ALA 95 Cb 0.70 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jhl h ALA 95 CO -0.00 -1.57 -0.55 0.87 0.00 0.00 0.00 179.25 178.00 1jhl h LYS 96 N 0.07 0.69 -0.83 0.00 1.57 -1.08 -1.87 116.57 115.12 1jhl h LYS 96 Ca 0.70 -0.43 0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1jhl h LYS 96 Cb 2.58 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 34.89 1jhl h LYS 96 CO -0.12 1.05 0.54 0.87 -0.57 0.00 0.00 179.45 181.23 1jhl h LYS 97 N 0.53 1.05 0.50 3.15 6.56 0.22 -3.25 116.57 125.33 1jhl h LYS 97 Ca 0.01 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 1jhl h LYS 97 Cb 1.12 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 1jhl h LYS 97 CO 0.11 0.70 -0.24 0.82 -2.06 0.00 0.00 179.45 178.78 1jhl h ILE 98 N 1.08 0.00 0.00 1.86 2.04 -1.04 -3.20 117.51 118.25 1jhl h ILE 98 Ca 0.32 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1jhl h ILE 98 Cb -0.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1jhl h ILE 98 CO -0.09 0.00 0.00 1.33 0.00 0.00 0.00 178.15 179.40 1jhl n VAL 99 N -3.95 1.91 1.04 1.67 0.24 -0.72 -0.33 118.33 118.19 1jhl n VAL 99 Ca -0.08 0.48 0.12 0.00 -2.04 0.00 0.00 64.34 62.82 1jhl n VAL 99 Cb 0.26 -1.48 0.18 0.00 -1.47 0.00 0.00 33.84 31.34 1jhl n VAL 99 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1jhl n SER 100 N -1.48 0.75 -4.64 -1.34 7.64 -1.21 -4.23 113.62 109.11 1jhl n SER 100 Ca 0.00 -0.56 -0.37 0.00 1.01 0.00 0.00 58.87 58.95 1jhl n SER 100 Cb 0.00 0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 1jhl n SER 100 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1jhl s ASP 101 N -2.90 6.15 -0.31 6.43 1.01 0.55 -4.93 116.67 122.68 1jhl s ASP 101 Ca 0.13 0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.52 1jhl s ASP 101 Cb 0.17 -2.14 -0.10 0.00 1.01 0.00 0.00 42.92 41.86 1jhl s ASP 101 CO 0.70 -0.01 1.06 0.61 0.21 0.00 0.00 175.17 177.73 1jhl n GLY 102 N 4.48 -0.15 0.00 0.21 0.00 -1.26 -2.23 105.19 106.23 1jhl n GLY 102 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1jhl n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jhl n ASP 103 N 3.47 0.00 0.00 1.61 2.03 -1.26 -5.11 116.55 117.28 1jhl n ASP 103 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1jhl n ASP 103 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1jhl n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhl n GLY 104 N -0.55 -0.05 0.00 0.27 0.00 -0.95 -3.15 105.19 100.76 1jhl n GLY 104 Ca 0.00 -1.01 0.10 0.00 0.00 0.00 0.00 46.02 45.11 1jhl n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jhl n MET 105 N 1.44 0.71 0.15 1.61 2.81 -1.26 -3.15 117.12 119.44 1jhl n MET 105 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1jhl n MET 105 Cb 0.00 -1.44 0.45 0.00 -0.71 0.00 0.00 33.22 31.52 1jhl n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1jhl h ASN 106 N 0.00 0.00 0.00 7.83 2.35 -1.97 -1.61 115.58 122.19 1jhl h ASN 106 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jhl h ASN 106 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1jhl h ASN 106 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1jhl n ALA 107 N -1.86 2.04 -3.73 -0.83 0.00 -1.19 -4.34 120.51 110.61 1jhl n ALA 107 Ca 0.03 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1jhl n ALA 107 Cb 0.35 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.44 1jhl n ALA 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jhl s TRP 108 N -2.00 3.26 0.17 0.00 0.51 -0.61 -5.01 118.94 115.27 1jhl s TRP 108 Ca 0.20 -1.96 -0.14 0.00 -2.12 0.00 0.00 56.10 52.08 1jhl s TRP 108 Cb 0.09 -2.07 0.14 0.00 -0.81 0.00 0.00 33.47 30.83 1jhl s TRP 108 CO 0.16 -0.82 1.73 0.28 -0.51 0.00 0.00 176.95 177.79 1jhl h VAL 109 N 6.53 0.78 0.00 4.03 2.07 -1.85 -1.13 116.25 126.68 1jhl h VAL 109 Ca -0.21 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1jhl h VAL 109 Cb 1.06 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1jhl h VAL 109 CO 0.52 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1jhl h ALA 110 N 1.33 1.00 0.12 1.67 0.00 -1.94 -1.41 119.26 120.03 1jhl h ALA 110 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 1jhl h ALA 110 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jhl h ALA 110 CO -0.27 0.00 -1.32 2.35 0.00 0.00 0.00 179.25 180.01 1jhl h TRP 111 N 0.00 0.47 0.00 0.00 7.01 -1.54 0.20 115.95 122.09 1jhl h TRP 111 Ca 0.00 -0.34 -0.18 0.00 2.11 0.00 0.00 58.89 60.48 1jhl h TRP 111 Cb 0.42 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1jhl h TRP 111 CO 0.00 1.52 -0.83 0.07 -2.79 0.00 0.00 178.44 176.40 1jhl h ARG 112 N -0.30 0.10 0.20 2.65 0.11 -1.05 0.92 114.38 117.00 1jhl h ARG 112 Ca -0.28 -0.11 -0.31 0.00 0.10 0.00 0.00 59.98 59.39 1jhl h ARG 112 Cb 1.75 0.03 0.02 0.00 1.11 0.00 0.00 29.97 32.88 1jhl h ARG 112 CO 0.08 0.87 -1.42 0.87 0.10 0.00 0.00 179.97 180.47 1jhl h LYS 113 N 0.05 0.42 0.00 0.08 1.57 -1.42 -3.36 116.57 113.92 1jhl h LYS 113 Ca -0.03 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 58.03 1jhl h LYS 113 Cb 1.45 0.27 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1jhl h LYS 113 CO 0.12 1.34 -1.71 0.72 -0.57 0.00 0.00 179.45 179.36 1jhl n HIS 114 N -3.79 0.00 -0.02 -1.35 8.25 0.06 -4.79 115.22 113.57 1jhl n HIS 114 Ca -0.20 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.23 1jhl n HIS 114 Cb 1.02 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 31.74 1jhl n HIS 114 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jhl n LYS 116 N -2.66 1.49 -0.24 0.00 4.81 0.28 -1.28 118.16 120.55 1jhl n LYS 116 Ca -0.09 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1jhl n LYS 116 Cb 0.59 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1jhl n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jhl n GLY 117 N 5.55 0.87 3.60 3.14 0.00 -1.26 -4.92 105.19 112.17 1jhl n GLY 117 Ca 0.33 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1jhl n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jhl s THR 118 N -2.00 2.34 -0.72 2.61 -4.23 -0.40 -5.08 115.64 108.15 1jhl s THR 118 Ca 0.00 -2.04 -0.27 0.00 -1.18 0.00 0.00 61.69 58.20 1jhl s THR 118 Cb 0.00 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 71.07 1jhl s THR 118 CO 0.00 -0.15 1.31 -0.62 -0.54 0.00 0.00 174.62 174.62 1jhl s ASP 119 N -3.69 6.13 0.00 3.99 2.15 -1.26 -4.85 116.67 119.13 1jhl s ASP 119 Ca 0.34 -0.36 0.15 0.00 0.43 0.00 0.00 52.55 53.12 1jhl s ASP 119 Cb 0.03 -2.56 0.69 0.00 -0.30 0.00 0.00 42.92 40.78 1jhl s ASP 119 CO 0.18 -1.85 1.47 1.33 -0.17 0.00 0.00 175.17 176.14 1jhl n VAL 120 N 6.45 0.84 0.27 1.11 0.24 -1.26 -2.72 118.33 123.26 1jhl n VAL 120 Ca 0.04 0.21 0.15 0.00 -2.04 0.00 0.00 64.34 62.70 1jhl n VAL 120 Cb 0.49 -0.95 0.77 0.00 -1.47 0.00 0.00 33.84 32.68 1jhl n VAL 120 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1jhl h ASN 121 N 0.00 0.00 -0.03 -1.34 -0.26 -1.90 -2.32 115.58 109.73 1jhl h ASN 121 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1jhl h ASN 121 Cb 0.23 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1jhl h ASN 121 CO 0.00 0.09 0.15 1.62 -1.06 0.00 0.00 177.43 178.23 1jhl h VAL 122 N 0.00 0.10 0.00 2.81 3.04 -1.93 -2.23 116.25 118.04 1jhl h VAL 122 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1jhl h VAL 122 Cb 0.35 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1jhl h VAL 122 CO 0.01 0.00 0.00 0.79 -1.01 0.00 0.00 177.57 177.36 1jhl n TRP 123 N -3.16 0.51 -0.11 3.17 7.02 -0.87 -4.03 117.44 119.97 1jhl n TRP 123 Ca -0.02 0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 1jhl n TRP 123 Cb 0.22 -0.75 0.00 0.00 -2.42 0.00 0.00 31.31 28.37 1jhl n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1jhl n ILE 124 N -1.92 0.20 -2.22 -0.99 -6.64 -0.85 -4.77 119.36 102.17 1jhl n ILE 124 Ca 0.06 -0.54 -0.41 0.00 -1.77 0.00 0.00 62.75 60.09 1jhl n ILE 124 Cb 0.38 0.99 -0.03 0.00 -1.44 0.00 0.00 39.64 39.54 1jhl n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1jhl s ARG 125 N -0.20 4.43 0.00 6.28 0.52 -1.20 -2.16 118.95 126.62 1jhl s ARG 125 Ca 0.00 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1jhl s ARG 125 Cb 0.00 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.35 1jhl s ARG 125 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1jhl n GLY 126 N 1.25 3.01 3.77 -3.53 0.00 -1.26 -5.01 105.19 103.42 1jhl n GLY 126 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1jhl n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhl s ARG 128 N -2.73 3.70 0.00 0.00 3.52 -1.26 -5.09 118.95 117.09 1jhl s ARG 128 Ca 0.65 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1jhl s ARG 128 Cb -0.31 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1jhl s ARG 128 CO 0.38 -0.16 0.43 1.28 -0.81 0.00 0.00 175.30 176.41