#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwt n ASP 0 N 0.00 0.00 -1.10 7.83 2.03 -1.26 -4.96 116.55 119.09 2jwt n ASP 0 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 2jwt n ASP 0 Cb 0.00 0.26 0.09 0.00 -0.72 0.00 0.00 41.12 40.75 2jwt n ASP 0 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jwt n GLU 1 N -2.03 0.64 -2.21 -0.67 -0.58 -1.26 -5.08 120.64 109.44 2jwt n GLU 1 Ca 0.00 -2.49 -0.41 0.00 -0.42 0.00 0.00 57.16 53.85 2jwt n GLU 1 Cb 0.00 -0.67 -0.03 0.00 -0.57 0.00 0.00 31.44 30.18 2jwt n GLU 1 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jwt s LYS 2 N -1.30 4.42 -0.71 3.49 1.02 -1.26 -4.99 119.74 120.41 2jwt s LYS 2 Ca 0.35 2.09 -0.07 0.00 0.02 0.00 0.00 55.97 58.35 2jwt s LYS 2 Cb 0.37 -3.13 0.19 0.00 -0.52 0.00 0.00 37.83 34.74 2jwt s LYS 2 CO -0.12 -0.12 0.58 1.03 -0.92 0.00 0.00 175.35 175.79 2jwt s ARG 3 N -1.29 3.00 0.67 1.68 3.00 -1.26 -5.08 118.95 119.67 2jwt s ARG 3 Ca 0.50 -2.51 -0.13 0.00 0.00 0.00 0.00 55.73 53.59 2jwt s ARG 3 Cb -0.37 -4.02 0.00 0.00 0.00 0.00 0.00 34.95 30.56 2jwt s ARG 3 CO 0.47 -1.22 1.08 -1.25 0.00 0.00 0.00 175.30 174.37 2jwt s PRO 4 N 0.02 2.89 0.00 3.54 0.04 -1.26 -5.01 135.00 135.22 2jwt s PRO 4 Ca 0.17 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2jwt s PRO 4 Cb -0.16 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2jwt s PRO 4 CO -0.06 -1.15 0.00 -2.13 0.04 0.00 0.00 177.00 173.71 2jwt n ARG 5 N -2.68 0.00 -3.09 4.56 0.63 -1.26 -4.92 116.66 109.91 2jwt n ARG 5 Ca 0.09 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.57 2jwt n ARG 5 Cb 0.53 -0.45 -0.01 0.00 0.45 0.00 0.00 32.46 32.97 2jwt n ARG 5 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2jwt s THR 6 N -2.00 5.23 -0.27 5.15 2.01 -1.26 -4.92 115.64 119.58 2jwt s THR 6 Ca 0.00 -2.42 -0.01 0.00 0.31 0.00 0.00 61.69 59.58 2jwt s THR 6 Cb 0.00 -4.73 0.13 0.00 0.01 0.00 0.00 72.50 67.92 2jwt s THR 6 CO 0.00 -1.39 0.31 0.00 -0.69 0.00 0.00 174.62 172.85 2jwt s ALA 7 N 1.12 -0.63 0.38 7.40 0.00 -1.26 -5.15 121.76 123.62 2jwt s ALA 7 Ca 0.32 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.36 2jwt s ALA 7 Cb -0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 2jwt s ALA 7 CO -0.06 -1.58 0.20 -0.06 0.00 0.00 0.00 175.76 174.25 2jwt s PHE 8 N 2.41 1.77 0.26 0.00 0.40 -1.26 -5.16 117.98 116.40 2jwt s PHE 8 Ca 0.10 -1.47 0.09 0.00 -0.60 0.00 0.00 56.93 55.04 2jwt s PHE 8 Cb -0.14 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 2jwt s PHE 8 CO -0.27 -0.56 0.08 -1.54 0.70 0.00 0.00 175.22 173.62 2jwt s SER 9 N -3.51 4.92 0.21 1.36 1.04 -1.26 -4.97 113.70 111.49 2jwt s SER 9 Ca 0.30 -0.50 -0.10 0.00 0.48 0.00 0.00 55.95 56.14 2jwt s SER 9 Cb 0.02 -1.06 0.27 0.00 0.10 0.00 0.00 66.02 65.36 2jwt s SER 9 CO 0.20 -0.02 1.73 0.28 0.98 0.00 0.00 173.24 176.41 2jwt h SER 10 N 1.73 0.15 -0.60 7.02 0.02 -2.02 0.26 113.55 120.11 2jwt h SER 10 Ca -0.46 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.49 2jwt h SER 10 Cb 1.25 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2jwt h SER 10 CO 0.61 0.09 0.04 -0.08 -1.14 0.00 0.00 176.83 176.34 2jwt h GLU 11 N 0.35 1.03 -0.28 3.45 4.57 -1.98 0.69 114.58 122.41 2jwt h GLU 11 Ca 0.30 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2jwt h GLU 11 Cb 0.40 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2jwt h GLU 11 CO -0.33 1.00 0.01 1.96 -1.18 0.00 0.00 179.01 180.46 2jwt h GLN 12 N 0.93 0.49 -0.40 1.92 4.20 -1.71 -1.92 115.11 118.61 2jwt h GLN 12 Ca 0.17 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 2jwt h GLN 12 Cb 0.51 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2jwt h GLN 12 CO 0.02 0.64 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.62 2jwt h LEU 13 N 0.28 0.71 -0.52 1.46 3.38 -0.44 -1.70 115.31 118.48 2jwt h LEU 13 Ca 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jwt h LEU 13 Cb 0.42 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2jwt h LEU 13 CO 0.01 0.87 0.33 0.00 0.09 0.00 0.00 178.44 179.74 2jwt h ALA 14 N 1.20 0.66 0.10 1.53 0.00 -0.68 0.47 119.26 122.54 2jwt h ALA 14 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jwt h ALA 14 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jwt h ALA 14 CO 0.04 0.12 -0.05 -0.09 0.00 0.00 0.00 179.25 179.27 2jwt h ARG 15 N 0.70 -0.13 -0.82 0.00 9.65 -1.14 -1.55 114.38 121.09 2jwt h ARG 15 Ca 0.19 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.09 2jwt h ARG 15 Cb -0.06 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 2jwt h ARG 15 CO -0.04 0.14 0.54 -0.07 2.80 0.00 0.00 179.97 183.34 2jwt h LEU 16 N -0.40 0.93 -0.52 3.80 3.38 -1.15 -1.88 115.31 119.47 2jwt h LEU 16 Ca -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2jwt h LEU 16 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jwt h LEU 16 CO 0.02 0.67 0.22 0.11 0.09 0.00 0.00 178.44 179.56 2jwt h LYS 17 N 1.10 0.77 -0.40 1.13 1.57 0.07 0.13 116.57 120.95 2jwt h LYS 17 Ca 0.30 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2jwt h LYS 17 Cb -0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 2jwt h LYS 17 CO -0.07 0.67 0.24 -0.09 -0.57 0.00 0.00 179.45 179.63 2jwt h ARG 18 N 0.70 0.54 -0.64 3.15 2.43 -0.69 0.11 114.38 119.97 2jwt h ARG 18 Ca 0.17 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2jwt h ARG 18 Cb 0.18 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2jwt h ARG 18 CO -0.02 0.41 0.09 0.93 -1.51 0.00 0.00 179.97 179.88 2jwt h GLU 19 N 0.52 1.08 -0.34 0.20 4.39 -1.14 -2.69 114.58 116.60 2jwt h GLU 19 Ca 0.14 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 2jwt h GLU 19 Cb 0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2jwt h GLU 19 CO -0.03 1.00 -0.08 0.35 -1.16 0.00 0.00 179.01 179.09 2jwt h PHE 20 N 0.99 0.60 0.00 4.33 3.57 -0.36 -1.51 116.94 124.56 2jwt h PHE 20 Ca 0.19 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2jwt h PHE 20 Cb 0.45 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2jwt h PHE 20 CO 0.03 0.63 -0.22 -0.91 -2.23 0.00 0.00 178.31 175.62 2jwt h ASN 21 N 0.52 0.00 0.31 0.41 4.21 -0.47 -2.84 115.58 117.72 2jwt h ASN 21 Ca 0.10 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.28 2jwt h ASN 21 Cb 0.46 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2jwt h ASN 21 CO 0.02 0.22 -1.58 -0.33 -1.29 0.00 0.00 177.43 174.47 2jwt h GLU 22 N 0.00 0.40 -2.01 0.81 5.08 -1.22 -3.46 114.58 114.18 2jwt h GLU 22 Ca -0.00 -0.68 0.07 0.00 -1.00 0.00 0.00 59.36 57.74 2jwt h GLU 22 Cb 0.39 0.26 -0.20 0.00 0.50 0.00 0.00 28.75 29.69 2jwt h GLU 22 CO 0.03 1.31 -0.12 0.54 -1.00 0.00 0.00 179.01 179.76 2jwt s ASN 23 N -7.31 -1.11 0.00 1.42 4.22 -0.62 -5.01 114.94 106.53 2jwt s ASN 23 Ca -0.11 1.56 0.20 0.00 -2.14 0.00 0.00 52.86 52.37 2jwt s ASN 23 Cb 0.05 2.21 1.14 0.00 1.28 0.00 0.00 41.25 45.93 2jwt s ASN 23 CO 0.89 -0.22 1.63 0.54 -2.04 0.00 0.00 177.10 177.89 2jwt n ARG 24 N 5.35 0.49 -4.43 3.55 1.74 -1.20 -4.20 116.66 117.96 2jwt n ARG 24 Ca -0.13 0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.66 2jwt n ARG 24 Cb 0.50 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2jwt n ARG 24 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2jwt s TYR 25 N -2.25 3.01 0.48 -1.55 2.02 -1.26 -4.79 117.35 113.01 2jwt s TYR 25 Ca 0.26 -0.30 0.07 0.00 -0.37 0.00 0.00 57.07 56.73 2jwt s TYR 25 Cb 0.14 -1.94 0.08 0.00 -0.40 0.00 0.00 41.96 39.84 2jwt s TYR 25 CO 0.27 -0.02 0.66 1.28 -1.57 0.00 0.00 175.55 176.17 2jwt n LEU 26 N 3.46 0.00 -3.99 -1.29 4.77 -1.26 -5.08 117.00 113.61 2jwt n LEU 26 Ca -0.17 -2.00 -0.10 0.00 -0.03 0.00 0.00 56.01 53.71 2jwt n LEU 26 Cb 0.52 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2jwt n LEU 26 CO 0.33 -0.69 0.02 0.42 -1.33 0.00 0.00 177.39 176.14 2jwt s THR 27 N -1.96 0.04 0.13 -5.08 -4.23 -1.26 -5.00 115.64 98.27 2jwt s THR 27 Ca 0.50 -1.44 -0.22 0.00 -1.18 0.00 0.00 61.69 59.35 2jwt s THR 27 Cb -0.04 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 2jwt s THR 27 CO 0.32 -0.16 1.69 -0.33 -0.54 0.00 0.00 174.62 175.59 2jwt h GLU 28 N 2.45 -0.11 -0.74 3.99 5.08 -2.01 0.25 114.58 123.50 2jwt h GLU 28 Ca -0.30 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2jwt h GLU 28 Cb 1.24 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 2jwt h GLU 28 CO 0.45 -0.07 0.49 -0.09 -1.00 0.00 0.00 179.01 178.78 2jwt h ARG 29 N -0.11 0.97 -0.01 2.33 2.43 -1.98 -1.04 114.38 116.96 2jwt h ARG 29 Ca 0.09 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2jwt h ARG 29 Cb 0.24 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jwt h ARG 29 CO -0.20 0.64 -0.00 -0.09 -1.51 0.00 0.00 179.97 178.81 2jwt h ARG 30 N 1.00 0.02 0.12 0.20 9.65 -1.67 -0.26 114.38 123.43 2jwt h ARG 30 Ca 0.27 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 2jwt h ARG 30 Cb -0.12 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 2jwt h ARG 30 CO -0.06 0.38 -0.11 0.00 2.80 0.00 0.00 179.97 182.99 2jwt h ARG 31 N -0.35 -0.23 -0.55 0.20 -0.00 -0.31 0.81 114.38 113.95 2jwt h ARG 31 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.49 2jwt h ARG 31 Cb 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.37 2jwt h ARG 31 CO 0.00 -0.15 0.32 0.37 0.00 0.00 0.00 179.97 180.51 2jwt h GLN 32 N -0.24 0.75 0.18 0.04 -0.00 -1.24 0.36 115.11 114.96 2jwt h GLN 32 Ca 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2jwt h GLN 32 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.55 2jwt h GLN 32 CO -0.02 0.53 -0.09 1.96 0.00 0.00 0.00 178.83 181.21 2jwt h GLN 33 N 0.76 -0.24 -0.45 1.69 1.08 -0.53 -1.70 115.11 115.72 2jwt h GLN 33 Ca 0.20 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.33 2jwt h GLN 33 Cb -0.01 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2jwt h GLN 33 CO -0.04 0.12 -0.05 -0.07 -0.95 0.00 0.00 178.83 177.84 2jwt h LEU 34 N -0.63 0.75 0.11 1.46 4.07 -0.66 0.97 115.31 121.39 2jwt h LEU 34 Ca -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 2jwt h LEU 34 Cb 0.46 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2jwt h LEU 34 CO 0.04 0.85 -0.05 0.77 -1.08 0.00 0.00 178.44 178.97 2jwt h SER 35 N 0.71 -0.12 -0.31 -0.43 4.64 -0.29 -0.75 113.55 117.00 2jwt h SER 35 Ca 0.13 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 2jwt h SER 35 Cb 0.50 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2jwt h SER 35 CO 0.03 -0.04 -0.40 -1.28 -0.87 0.00 0.00 176.83 174.27 2jwt h SER 36 N -0.20 0.93 0.65 4.97 0.87 -1.21 0.60 113.55 120.16 2jwt h SER 36 Ca -0.02 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 2jwt h SER 36 Cb 0.16 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2jwt h SER 36 CO 0.02 1.21 -0.31 -0.08 -0.53 0.00 0.00 176.83 177.14 2jwt h GLU 37 N 0.70 -0.84 0.00 2.24 4.57 -0.71 -3.18 114.58 117.37 2jwt h GLU 37 Ca 0.05 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2jwt h GLU 37 Cb 0.98 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2jwt h GLU 37 CO 0.09 -0.52 -0.34 1.28 -1.18 0.00 0.00 179.01 178.34 2jwt n LEU 38 N -5.42 0.52 -0.10 1.64 4.77 -0.30 -4.94 117.00 113.18 2jwt n LEU 38 Ca -0.13 0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 2jwt n LEU 38 Cb 0.37 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2jwt n LEU 38 CO 0.35 -0.02 -0.01 0.61 -1.33 0.00 0.00 177.39 176.99 2jwt n GLY 39 N 1.41 0.38 3.93 -0.72 0.00 0.17 -5.01 105.19 105.35 2jwt n GLY 39 Ca 0.05 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2jwt n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jwt s LEU 40 N -0.23 3.53 0.00 0.99 1.43 0.13 -4.97 118.68 119.56 2jwt s LEU 40 Ca 0.00 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.25 2jwt s LEU 40 Cb -0.00 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2jwt s LEU 40 CO 0.00 -0.67 0.85 0.21 0.23 0.00 0.00 176.35 176.97 2jwt s ASN 41 N -4.21 7.24 0.29 2.29 3.04 -1.26 -4.42 114.94 117.91 2jwt s ASN 41 Ca 0.50 1.49 0.04 0.00 0.04 0.00 0.00 52.86 54.94 2jwt s ASN 41 Cb -0.06 -2.51 0.71 0.00 -1.54 0.00 0.00 41.25 37.85 2jwt s ASN 41 CO 0.30 -0.14 1.75 -0.33 -3.04 0.00 0.00 177.10 175.64 2jwt h GLU 42 N 6.41 0.62 -0.38 0.43 3.07 -1.92 0.25 114.58 123.06 2jwt h GLU 42 Ca -0.42 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.35 2jwt h GLU 42 Cb 1.21 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 2jwt h GLU 42 CO 0.74 0.41 -0.01 0.00 -1.40 0.00 0.00 179.01 178.75 2jwt h ALA 43 N 1.65 1.27 -0.20 3.43 0.00 -1.95 -1.75 119.26 121.70 2jwt h ALA 43 Ca 0.56 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2jwt h ALA 43 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jwt h ALA 43 CO -0.42 0.49 -0.43 1.96 0.00 0.00 0.00 179.25 180.85 2jwt h GLN 44 N 0.57 0.49 -0.15 0.00 1.08 -0.95 -2.00 115.11 114.15 2jwt h GLN 44 Ca 0.12 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 2jwt h GLN 44 Cb 0.39 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2jwt h GLN 44 CO 0.01 0.83 -0.07 0.82 -0.95 0.00 0.00 178.83 179.48 2jwt h ILE 45 N 0.40 1.31 -0.46 2.54 2.04 -0.83 -0.85 117.51 121.67 2jwt h ILE 45 Ca 0.03 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.81 2jwt h ILE 45 Cb 0.92 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 2jwt h ILE 45 CO 0.08 0.32 0.27 0.50 0.00 0.00 0.00 178.15 179.32 2jwt h LYS 46 N -0.03 0.53 -0.72 2.37 3.64 -1.28 -0.48 116.57 120.60 2jwt h LYS 46 Ca 0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2jwt h LYS 46 Cb 0.53 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2jwt h LYS 46 CO 0.02 0.35 0.20 0.82 -2.27 0.00 0.00 179.45 178.56 2jwt h ILE 47 N 0.54 1.26 -0.51 2.00 2.04 -1.34 -1.40 117.51 120.10 2jwt h ILE 47 Ca 0.18 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 2jwt h ILE 47 Cb 0.02 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2jwt h ILE 47 CO -0.08 0.37 0.30 -0.25 0.00 0.00 0.00 178.15 178.48 2jwt h TRP 48 N 1.08 0.69 -0.18 1.37 7.01 -0.61 0.28 115.95 125.60 2jwt h TRP 48 Ca 0.23 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 2jwt h TRP 48 Cb 0.35 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 2jwt h TRP 48 CO 0.03 0.49 0.05 0.74 -2.79 0.00 0.00 178.44 176.96 2jwt h PHE 49 N 0.68 0.28 -0.79 2.65 -1.00 -0.88 0.18 116.94 118.07 2jwt h PHE 49 Ca 0.18 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 2jwt h PHE 49 Cb 0.02 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.46 2jwt h PHE 49 CO -0.02 0.38 0.32 1.96 -1.61 0.00 0.00 178.31 179.33 2jwt h GLN 50 N 0.11 1.18 -0.37 1.51 4.20 -1.06 -0.80 115.11 119.87 2jwt h GLN 50 Ca 0.06 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 2jwt h GLN 50 Cb 0.23 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2jwt h GLN 50 CO -0.00 0.95 -0.32 -0.91 -0.67 0.00 0.00 178.83 177.89 2jwt h ASN 51 N 1.15 0.85 -0.20 1.46 2.35 -0.26 -2.80 115.58 118.14 2jwt h ASN 51 Ca 0.27 -0.35 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 2jwt h ASN 51 Cb 0.21 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2jwt h ASN 51 CO -0.02 1.10 -0.21 0.50 -1.65 0.00 0.00 177.43 177.15 2jwt h LYS 52 N 0.69 0.64 -0.37 0.81 1.63 -0.29 -2.84 116.57 116.84 2jwt h LYS 52 Ca 0.07 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.57 2jwt h LYS 52 Cb 0.86 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 2jwt h LYS 52 CO 0.08 0.81 -0.02 -0.09 -3.45 0.00 0.00 179.45 176.77 2jwt h ARG 53 N 0.57 0.59 -0.73 1.90 1.12 -1.01 -2.81 114.38 114.01 2jwt h ARG 53 Ca 0.09 -0.14 -0.05 0.00 -1.11 0.00 0.00 59.98 58.77 2jwt h ARG 53 Cb 0.67 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.52 2jwt h ARG 53 CO 0.05 0.63 0.27 0.00 -3.11 0.00 0.00 179.97 177.80 2jwt h ALA 54 N 1.43 1.10 0.00 2.80 0.00 -1.25 -1.97 119.26 121.36 2jwt h ALA 54 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jwt h ALA 54 Cb 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jwt h ALA 54 CO 0.02 0.63 0.00 0.36 0.00 0.00 0.00 179.25 180.26 2jwt n LYS 55 N -4.28 0.98 0.00 0.00 2.85 -1.07 -4.11 118.16 112.54 2jwt n LYS 55 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2jwt n LYS 55 Cb 0.20 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 2jwt n LYS 55 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2jwt n ILE 56 N -0.74 0.00 0.00 0.58 2.08 -0.74 -5.02 119.36 115.52 2jwt n ILE 56 Ca 0.11 0.43 0.00 0.00 0.56 0.00 0.00 62.75 63.85 2jwt n ILE 56 Cb 0.05 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 2jwt n ILE 56 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2jwt n LYS 57 N -1.93 0.00 -1.72 0.38 3.00 -1.25 -5.15 118.16 111.50 2jwt n LYS 57 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 2jwt n LYS 57 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.09 2jwt n LYS 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jwt n LYS 58 N 0.00 1.29 0.00 1.64 5.02 -1.26 -5.07 118.16 119.78 2jwt n LYS 58 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2jwt n LYS 58 Cb 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 2jwt n LYS 58 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75