#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n ARG 3 N 0.00 -1.12 0.00 -0.52 1.74 -1.26 -5.03 116.66 110.48 2hgj n ARG 3 Ca 0.00 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 2hgj n ARG 3 Cb 0.00 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 2hgj n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hgj n ALA 4 N -3.21 0.00 -0.32 7.54 0.00 -1.26 -5.07 120.51 118.20 2hgj n ALA 4 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 2hgj n ALA 4 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 2hgj n ALA 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2hgj n LYS 5 N 0.00 0.00 0.00 0.00 4.81 -1.26 -4.67 118.16 117.04 2hgj n LYS 5 Ca 0.00 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 56.87 2hgj n LYS 5 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.08 2hgj n LYS 5 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2hgj n THR 6 N 5.28 0.20 -0.13 3.15 -2.24 -1.26 -3.54 114.28 115.75 2hgj n THR 6 Ca 0.16 0.32 -0.03 0.00 -2.27 0.00 0.00 64.05 62.23 2hgj n THR 6 Cb 0.17 -1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 67.05 2hgj n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgj n GLY 7 N -0.90 -1.18 0.08 3.38 0.00 -1.26 0.38 105.19 105.69 2hgj n GLY 7 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 2hgj n GLY 7 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2hgj h VAL 8 N 0.00 0.00 -0.76 1.61 -1.51 -1.99 -1.13 116.25 112.47 2hgj h VAL 8 Ca 0.05 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.59 2hgj h VAL 8 Cb 0.13 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 29.19 2hgj h VAL 8 CO -0.29 0.00 -0.45 0.52 -1.23 0.00 0.00 177.57 176.12 2hgj n VAL 9 N -3.16 -0.52 -0.06 7.19 0.31 0.16 -1.51 118.33 120.75 2hgj n VAL 9 Ca -0.01 2.12 -0.11 0.00 -0.01 0.00 0.00 64.34 66.33 2hgj n VAL 9 Cb 0.06 -2.64 -0.05 0.00 -0.91 0.00 0.00 33.84 30.31 2hgj n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2hgj h ARG 10 N 0.00 0.32 -0.88 5.55 2.43 -1.13 0.26 114.38 120.92 2hgj h ARG 10 Ca 0.12 -0.07 0.23 0.00 -0.81 0.00 0.00 59.98 59.46 2hgj h ARG 10 Cb 0.31 -0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 29.66 2hgj h ARG 10 CO -0.71 0.42 0.13 0.07 -1.51 0.00 0.00 179.97 178.36 2hgj h ARG 11 N 0.15 0.12 0.00 0.20 0.11 -0.47 -0.33 114.38 114.16 2hgj h ARG 11 Ca 0.07 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2hgj h ARG 11 Cb 0.24 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2hgj h ARG 11 CO -0.00 0.08 0.00 0.54 0.10 0.00 0.00 179.97 180.69 2hgj n ARG 12 N -5.33 0.00 -0.13 0.08 1.74 -0.57 -1.05 116.66 111.40 2hgj n ARG 12 Ca 0.20 0.36 0.07 0.00 -0.77 0.00 0.00 57.85 57.71 2hgj n ARG 12 Cb 0.67 -1.26 0.13 0.00 -1.02 0.00 0.00 32.46 30.98 2hgj n ARG 12 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgj n LYS 13 N -1.58 -0.03 0.11 5.56 4.76 -0.03 0.17 118.16 127.12 2hgj n LYS 13 Ca 0.00 0.57 -0.05 0.00 -2.87 0.00 0.00 58.31 55.96 2hgj n LYS 13 Cb 0.00 -0.92 -0.02 0.00 -1.84 0.00 0.00 35.03 32.25 2hgj n LYS 13 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2hgj h HIS 14 N 0.00 -0.28 -1.26 2.13 3.86 -1.02 -0.83 115.15 117.76 2hgj h HIS 14 Ca 0.25 -0.01 0.37 0.00 -1.16 0.00 0.00 60.37 59.82 2hgj h HIS 14 Cb 0.55 0.09 -0.10 0.00 1.06 0.00 0.00 27.41 29.01 2hgj h HIS 14 CO -0.16 -0.17 0.84 -0.22 0.86 0.00 0.00 177.93 179.08 2hgj h LYS 15 N -0.38 0.16 0.00 2.45 3.64 0.34 2.35 116.57 125.14 2hgj h LYS 15 Ca -0.03 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2hgj h LYS 15 Cb 0.23 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2hgj h LYS 15 CO 0.05 0.10 -0.42 -0.22 -2.27 0.00 0.00 179.45 176.69 2hgj h LYS 16 N 0.16 -0.52 -0.98 1.90 3.64 -0.69 0.76 116.57 120.85 2hgj h LYS 16 Ca 0.70 0.04 0.30 0.00 -1.27 0.00 0.00 60.65 60.42 2hgj h LYS 16 Cb 2.27 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 34.06 2hgj h LYS 16 CO -0.25 -0.34 0.50 0.82 -2.27 0.00 0.00 179.45 177.90 2hgj h ILE 17 N -0.54 0.31 -0.61 2.00 1.08 0.53 0.15 117.51 120.43 2hgj h ILE 17 Ca 0.01 -0.11 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2hgj h ILE 17 Cb 0.57 -0.03 -0.10 0.00 -3.07 0.00 0.00 36.82 34.19 2hgj h ILE 17 CO -0.28 0.06 -0.49 0.25 -0.69 0.00 0.00 178.15 177.00 2hgj h LEU 18 N 0.31 -1.69 -0.80 1.44 7.12 0.31 0.18 115.31 122.19 2hgj h LEU 18 Ca 0.69 0.26 -0.07 0.00 0.13 0.00 0.00 57.88 58.89 2hgj h LEU 18 Cb 1.53 0.75 -0.03 0.00 -0.53 0.00 0.00 40.66 42.39 2hgj h LEU 18 CO -0.61 -0.34 0.10 0.50 -0.13 0.00 0.00 178.44 177.96 2hgj h LYS 19 N -0.23 1.01 -0.93 1.25 3.64 0.75 -2.72 116.57 119.34 2hgj h LYS 19 Ca 0.15 -0.25 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2hgj h LYS 19 Cb 0.55 -0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.14 2hgj h LYS 19 CO -0.71 0.93 -0.55 1.28 -2.27 0.00 0.00 179.45 178.13 2hgj n LEU 20 N -4.22 -0.98 -4.61 5.20 4.77 0.49 -3.38 117.00 114.26 2hgj n LEU 20 Ca 0.04 1.67 -0.43 0.00 -0.03 0.00 0.00 56.01 57.26 2hgj n LEU 20 Cb 0.28 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2hgj n LEU 20 CO 0.42 -1.35 1.75 0.00 -1.33 0.00 0.00 177.39 176.88 2hgj s ALA 21 N -5.45 2.86 -0.03 -1.18 0.00 -0.27 -4.83 121.76 112.87 2hgj s ALA 21 Ca -0.11 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.36 2hgj s ALA 21 Cb 0.10 -4.03 -0.18 0.00 0.00 0.00 0.00 23.12 19.02 2hgj s ALA 21 CO 0.58 -2.60 1.06 0.87 0.00 0.00 0.00 175.76 175.66 2hgj h LYS 22 N 14.05 -0.18 0.00 0.00 1.57 -1.78 -3.46 116.57 126.76 2hgj h LYS 22 Ca -0.40 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2hgj h LYS 22 Cb 1.22 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2hgj h LYS 22 CO 0.97 0.26 0.00 0.41 -0.57 0.00 0.00 179.45 180.52 2hgj n GLY 23 N 0.34 -0.27 0.00 3.86 0.00 -1.26 -5.05 105.19 102.81 2hgj n GLY 23 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2hgj n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgj n TYR 24 N 0.00 0.00 -2.40 1.61 4.02 -1.26 -4.66 117.16 114.46 2hgj n TYR 24 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2hgj n TYR 24 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 2hgj n TYR 24 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 2hgj s TRP 25 N 0.00 2.55 0.08 -0.72 -0.00 -1.26 -4.73 118.94 114.86 2hgj s TRP 25 Ca 0.00 0.75 -0.15 0.00 -0.00 0.00 0.00 56.10 56.71 2hgj s TRP 25 Cb 0.00 -4.17 -0.09 0.00 -0.00 0.00 0.00 33.47 29.21 2hgj s TRP 25 CO 0.00 -1.81 0.29 0.41 -0.00 0.00 0.00 176.95 175.85 2hgj n GLY 26 N 4.77 -0.76 1.86 5.86 0.00 -1.26 -1.03 105.19 114.63 2hgj n GLY 26 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2hgj n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgj n LEU 27 N 0.94 0.00 -0.40 0.99 4.77 -1.26 -4.34 117.00 117.70 2hgj n LEU 27 Ca 0.09 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.20 2hgj n LEU 27 Cb 0.11 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.64 2hgj n LEU 27 CO 0.28 0.00 0.76 -2.11 -1.33 0.00 0.00 177.39 174.99 2hgj n ARG 28 N 0.00 1.34 -0.05 3.23 1.85 -0.20 -0.94 116.66 121.88 2hgj n ARG 28 Ca 0.00 -0.80 -0.17 0.00 -1.00 0.00 0.00 57.85 55.88 2hgj n ARG 28 Cb 0.00 -1.48 -0.14 0.00 -1.05 0.00 0.00 32.46 29.79 2hgj n ARG 28 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2hgj n SER 29 N -0.13 1.66 -0.02 2.89 3.41 -0.58 -4.41 113.62 116.43 2hgj n SER 29 Ca 0.16 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2hgj n SER 29 Cb 0.36 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 2hgj n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hgj n LYS 30 N -3.27 0.66 0.00 4.33 4.76 -1.12 -4.49 118.16 119.03 2hgj n LYS 30 Ca -0.34 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 2hgj n LYS 30 Cb 1.04 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 2hgj n LYS 30 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2hgj n SER 31 N -2.64 0.00 0.00 4.39 3.41 -0.12 -4.80 113.62 113.87 2hgj n SER 31 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2hgj n SER 31 Cb 0.86 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 2hgj n SER 31 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2hgj n PHE 32 N -0.09 0.00 0.00 7.33 3.01 -1.26 -0.38 117.46 126.07 2hgj n PHE 32 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2hgj n PHE 32 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2hgj n PHE 32 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2hgj n ARG 33 N 0.00 0.00 0.23 -1.08 0.63 -1.26 0.19 116.66 115.37 2hgj n ARG 33 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 2hgj n ARG 33 Cb 0.00 -0.29 0.28 0.00 0.45 0.00 0.00 32.46 32.90 2hgj n ARG 33 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2hgj h LYS 34 N 0.00 0.00 0.00 -0.14 1.79 -1.10 1.58 116.57 118.70 2hgj h LYS 34 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hgj h LYS 34 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2hgj h LYS 34 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 2hgj n ALA 35 N -1.52 -0.22 -0.19 3.86 0.00 -0.42 -0.65 120.51 121.37 2hgj n ALA 35 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2hgj n ALA 35 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 2hgj n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgj n ARG 36 N -1.26 -0.19 0.00 0.00 1.74 0.53 -0.27 116.66 117.21 2hgj n ARG 36 Ca 0.00 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2hgj n ARG 36 Cb 0.00 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2hgj n ARG 36 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2hgj n GLU 37 N -4.59 0.00 -0.30 5.56 1.02 -0.34 0.68 120.64 122.68 2hgj n GLU 37 Ca 0.01 0.66 0.28 0.00 -0.02 0.00 0.00 57.16 58.09 2hgj n GLU 37 Cb 0.13 -1.33 0.49 0.00 -0.02 0.00 0.00 31.44 30.71 2hgj n GLU 37 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hgj n THR 38 N -2.04 -0.28 0.37 2.62 -2.24 0.63 0.13 114.28 113.47 2hgj n THR 38 Ca 0.00 1.54 -0.16 0.00 -2.27 0.00 0.00 64.05 63.16 2hgj n THR 38 Cb 0.00 -2.51 -0.08 0.00 -2.10 0.00 0.00 70.33 65.63 2hgj n THR 38 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2hgj h LEU 39 N 0.00 -0.80 -1.52 3.22 6.46 0.22 -0.23 115.31 122.66 2hgj h LEU 39 Ca 0.68 -0.00 0.32 0.00 -0.12 0.00 0.00 57.88 58.76 2hgj h LEU 39 Cb 1.96 0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 42.00 2hgj h LEU 39 CO -0.52 -0.46 0.75 -0.26 -0.62 0.00 0.00 178.44 177.33 2hgj h PHE 40 N -1.14 0.48 0.26 1.25 -1.00 0.27 1.13 116.94 118.19 2hgj h PHE 40 Ca -0.10 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 2hgj h PHE 40 Cb 0.75 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 2hgj h PHE 40 CO -0.00 -0.00 -0.37 0.00 -1.61 0.00 0.00 178.31 176.33 2hgj h ALA 41 N 1.56 -0.98 -0.17 2.45 0.00 -0.65 -0.77 119.26 120.69 2hgj h ALA 41 Ca 0.64 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.45 2hgj h ALA 41 Cb 1.91 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 20.33 2hgj h ALA 41 CO -0.25 -1.03 -0.14 0.00 0.00 0.00 0.00 179.25 177.83 2hgj h ALA 42 N -1.04 -0.27 -0.05 0.00 0.00 0.30 -0.34 119.26 117.85 2hgj h ALA 42 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hgj h ALA 42 Cb 0.59 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2hgj h ALA 42 CO -0.10 -0.35 -0.03 0.41 0.00 0.00 0.00 179.25 179.17 2hgj n GLY 43 N -1.08 -2.00 0.35 0.00 0.00 0.37 0.40 105.19 103.24 2hgj n GLY 43 Ca -0.00 0.41 0.14 0.00 0.00 0.00 0.00 46.02 46.57 2hgj n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2hgj h ASN 44 N 0.00 0.25 0.00 1.61 2.35 -1.05 -0.21 115.58 118.52 2hgj h ASN 44 Ca 0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2hgj h ASN 44 Cb 0.02 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2hgj h ASN 44 CO -0.05 0.15 0.00 -1.22 -1.65 0.00 0.00 177.43 174.65 2hgj n TYR 45 N -4.45 0.00 -0.34 1.19 4.01 1.34 -1.25 117.16 117.65 2hgj n TYR 45 Ca 0.09 0.00 0.25 0.00 -0.16 0.00 0.00 57.90 58.08 2hgj n TYR 45 Cb 0.41 -0.47 0.53 0.00 -0.31 0.00 0.00 39.34 39.51 2hgj n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hgj h ALA 46 N -1.82 2.30 -2.79 -0.72 0.00 -0.56 -0.37 119.26 115.31 2hgj h ALA 46 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hgj h ALA 46 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2hgj h ALA 46 CO 0.00 -0.75 0.00 0.66 0.00 0.00 0.00 179.25 179.16 2hgj n TYR 47 N -4.65 0.00 -0.02 0.00 0.53 -0.13 -0.89 117.16 111.99 2hgj n TYR 47 Ca 0.27 0.00 0.19 0.00 -1.02 0.00 0.00 57.90 57.34 2hgj n TYR 47 Cb 0.97 0.00 0.65 0.00 -1.03 0.00 0.00 39.34 39.93 2hgj n TYR 47 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2hgj h ALA 48 N -2.21 2.41 -3.00 -0.72 0.00 -0.37 -1.18 119.26 114.19 2hgj h ALA 48 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hgj h ALA 48 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2hgj h ALA 48 CO 0.00 -0.56 0.00 0.72 0.00 0.00 0.00 179.25 179.41 2hgj n HIS 49 N -4.40 0.00 -0.35 0.00 8.25 -0.22 -1.02 115.22 117.48 2hgj n HIS 49 Ca 0.10 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.82 2hgj n HIS 49 Cb 0.57 0.00 0.54 0.00 1.12 0.00 0.00 29.99 32.22 2hgj n HIS 49 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hgj h ARG 50 N 0.00 0.31 -0.19 -0.41 3.08 -0.93 0.35 114.38 116.59 2hgj h ARG 50 Ca 0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2hgj h ARG 50 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 2hgj h ARG 50 CO 0.00 0.21 -0.41 0.87 -1.07 0.00 0.00 179.97 179.57 2hgj h LYS 51 N 0.32 -0.35 0.00 0.04 1.57 -0.88 -3.00 116.57 114.26 2hgj h LYS 51 Ca 0.66 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 2hgj h LYS 51 Cb 1.76 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.15 2hgj h LYS 51 CO -0.35 -0.24 -0.35 0.07 -0.57 0.00 0.00 179.45 178.01 2hgj h ARG 52 N -0.37 0.00 -0.43 3.15 -0.00 0.14 -3.39 114.38 113.48 2hgj h ARG 52 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 59.98 60.14 2hgj h ARG 52 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.43 2hgj h ARG 52 CO -0.37 0.00 0.41 -2.13 -0.00 0.00 0.00 179.97 177.87 2hgj n ARG 53 N -2.26 0.00 0.00 0.08 0.63 -0.25 0.31 116.66 115.18 2hgj n ARG 53 Ca 0.04 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 2hgj n ARG 53 Cb 0.45 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.56 2hgj n ARG 53 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2hgj n LYS 54 N -2.13 0.00 -0.14 -0.14 4.01 -1.26 -1.33 118.16 117.17 2hgj n LYS 54 Ca 0.10 0.50 -0.01 0.00 -0.51 0.00 0.00 58.31 58.39 2hgj n LYS 54 Cb 0.54 -1.32 0.01 0.00 -0.51 0.00 0.00 35.03 33.75 2hgj n LYS 54 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2hgj n ARG 55 N -1.75 -0.09 0.00 1.97 3.00 0.90 0.85 116.66 121.54 2hgj n ARG 55 Ca 0.00 0.55 0.00 0.00 -0.01 0.00 0.00 57.85 58.39 2hgj n ARG 55 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 32.46 31.64 2hgj n ARG 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2hgj n ASP 56 N -4.52 0.00 -0.35 0.55 8.00 -0.51 -1.14 116.55 118.57 2hgj n ASP 56 Ca 0.03 0.73 -0.00 0.00 0.71 0.00 0.00 54.79 56.26 2hgj n ASP 56 Cb 0.14 -0.23 0.13 0.00 -0.02 0.00 0.00 41.12 41.14 2hgj n ASP 56 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2hgj h PHE 57 N 0.00 1.16 -0.87 1.24 -1.00 0.18 -0.70 116.94 116.94 2hgj h PHE 57 Ca 0.00 0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.95 2hgj h PHE 57 Cb 0.00 -0.39 -0.14 0.00 3.61 0.00 0.00 35.95 39.03 2hgj h PHE 57 CO -0.42 0.66 -0.33 2.89 -1.61 0.00 0.00 178.31 179.50 2hgj n ARG 58 N -4.49 -0.19 0.25 1.51 1.85 0.22 0.12 116.66 115.93 2hgj n ARG 58 Ca 0.13 1.34 -0.11 0.00 -1.00 0.00 0.00 57.85 58.21 2hgj n ARG 58 Cb 0.10 -1.99 -0.05 0.00 -1.05 0.00 0.00 32.46 29.47 2hgj n ARG 58 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hgj h ARG 59 N 0.00 -0.68 -0.14 2.89 2.47 -0.52 -0.53 114.38 117.86 2hgj h ARG 59 Ca 0.31 0.05 0.01 0.00 -1.26 0.00 0.00 59.98 59.09 2hgj h ARG 59 Cb 0.53 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 2hgj h ARG 59 CO -0.87 -0.45 -0.09 1.28 0.56 0.00 0.00 179.97 180.41 2hgj n LEU 60 N -5.25 -0.15 0.12 3.04 4.32 0.32 0.22 117.00 119.62 2hgj n LEU 60 Ca -0.09 0.35 -0.12 0.00 -0.02 0.00 0.00 56.01 56.12 2hgj n LEU 60 Cb 0.28 -0.08 -0.08 0.00 -1.62 0.00 0.00 43.42 41.93 2hgj n LEU 60 CO 0.22 -0.25 0.50 -0.50 -1.22 0.00 0.00 177.39 176.13 2hgj h TRP 61 N 0.00 -0.32 0.00 -1.77 4.06 -1.10 -1.29 115.95 115.53 2hgj h TRP 61 Ca 0.02 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2hgj h TRP 61 Cb 0.06 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 2hgj h TRP 61 CO -0.23 0.04 0.00 -0.89 -3.56 0.00 0.00 178.44 173.80 2hgj n ILE 62 N -5.06 0.00 0.01 1.49 5.41 0.59 0.03 119.36 121.83 2hgj n ILE 62 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.65 2hgj n ILE 62 Cb 0.26 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.18 2hgj n ILE 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2hgj h VAL 63 N 0.00 0.00 -0.73 1.39 2.07 -0.87 0.43 116.25 118.53 2hgj h VAL 63 Ca 0.00 -0.52 0.27 0.00 0.82 0.00 0.00 66.70 67.27 2hgj h VAL 63 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 2hgj h VAL 63 CO 0.00 0.00 0.27 0.54 0.02 0.00 0.00 177.57 178.40 2hgj n ARG 64 N -3.69 -0.05 0.07 1.57 1.74 0.10 0.13 116.66 116.54 2hgj n ARG 64 Ca -0.01 1.04 -0.03 0.00 -0.77 0.00 0.00 57.85 58.08 2hgj n ARG 64 Cb 0.04 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.46 29.67 2hgj n ARG 64 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2hgj h ILE 65 N 0.00 0.00 -0.46 0.55 2.04 -1.05 -1.16 117.51 117.43 2hgj h ILE 65 Ca 0.57 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.48 2hgj h ILE 65 Cb 1.41 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 2hgj h ILE 65 CO -0.61 0.00 -0.18 0.59 0.00 0.00 0.00 178.15 177.96 2hgj n ASN 66 N -2.54 -0.29 -0.02 1.72 3.02 0.35 0.85 115.26 118.34 2hgj n ASN 66 Ca -0.02 0.80 -0.01 0.00 -0.03 0.00 0.00 54.58 55.32 2hgj n ASN 66 Cb 0.07 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 2hgj n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgj h ALA 67 N 0.64 -0.21 -0.59 5.41 0.00 -0.38 -1.01 119.26 123.13 2hgj h ALA 67 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2hgj h ALA 67 Cb 0.28 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2hgj h ALA 67 CO -0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 179.25 178.52 2hgj h ALA 68 N -1.05 0.80 -0.23 0.00 0.00 0.17 -0.02 119.26 118.94 2hgj h ALA 68 Ca 0.01 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2hgj h ALA 68 Cb 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2hgj h ALA 68 CO -0.06 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.72 2hgj h ARG 70 N -0.12 0.46 -0.92 0.00 3.08 -1.26 -1.38 114.38 114.24 2hgj h ARG 70 Ca 0.13 -0.26 0.22 0.00 0.07 0.00 0.00 59.98 60.14 2hgj h ARG 70 Cb 0.31 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 30.21 2hgj h ARG 70 CO -0.30 0.85 -0.06 1.96 -1.07 0.00 0.00 179.97 181.35 2hgj h GLN 71 N 0.11 0.03 0.24 0.04 4.20 0.11 -2.17 115.11 117.66 2hgj h GLN 71 Ca 0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2hgj h GLN 71 Cb 0.79 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2hgj h GLN 71 CO 0.05 0.02 -0.11 0.45 -0.67 0.00 0.00 178.83 178.57 2hgj h HIS 72 N 0.03 -0.30 0.00 2.96 3.86 -0.89 -3.49 115.15 117.32 2hgj h HIS 72 Ca 0.51 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 2hgj h HIS 72 Cb 0.95 0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.52 2hgj h HIS 72 CO -0.56 -0.12 0.00 0.41 0.86 0.00 0.00 177.93 178.52 2hgj n GLY 73 N 0.89 0.10 3.34 2.45 0.00 -0.53 -5.12 105.19 106.33 2hgj n GLY 73 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2hgj n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgj s LEU 74 N -1.29 2.31 0.00 0.99 1.43 -1.21 -4.80 118.68 116.10 2hgj s LEU 74 Ca 0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2hgj s LEU 74 Cb 0.00 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2hgj s LEU 74 CO 0.00 0.13 0.00 -3.20 0.23 0.00 0.00 176.35 173.51 2hgj n ASN 75 N 1.02 -1.38 0.00 2.29 2.85 -1.26 -3.61 115.26 115.17 2hgj n ASN 75 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2hgj n ASN 75 Cb 0.53 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 41.21 2hgj n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hgj n TYR 76 N -2.41 0.00 0.00 1.20 9.36 -1.26 -0.88 117.16 123.17 2hgj n TYR 76 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2hgj n TYR 76 Cb 0.00 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 2hgj n TYR 76 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2hgj n SER 77 N -1.48 0.00 0.05 2.98 3.41 -1.26 0.10 113.62 117.42 2hgj n SER 77 Ca 0.00 0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.58 2hgj n SER 77 Cb 0.00 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 2hgj n SER 77 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2hgj h THR 78 N 0.00 0.00 0.10 6.66 1.35 -1.87 -0.59 112.91 118.57 2hgj h THR 78 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2hgj h THR 78 Cb 0.00 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 2hgj h THR 78 CO 0.00 0.00 -0.25 0.15 -0.25 0.00 0.00 175.52 175.17 2hgj h PHE 79 N -0.62 -0.71 -0.99 4.73 3.57 0.26 -0.91 116.94 122.28 2hgj h PHE 79 Ca 0.01 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.62 2hgj h PHE 79 Cb 0.67 0.30 -0.12 0.00 2.79 0.00 0.00 35.95 39.59 2hgj h PHE 79 CO -0.52 -0.29 -0.58 -0.89 -2.23 0.00 0.00 178.31 173.81 2hgj n ILE 80 N -3.86 -0.67 -0.23 1.41 5.41 0.31 0.16 119.36 121.90 2hgj n ILE 80 Ca -0.04 2.38 -0.06 0.00 1.00 0.00 0.00 62.75 66.03 2hgj n ILE 80 Cb 0.20 -2.95 -0.05 0.00 -0.71 0.00 0.00 39.64 36.12 2hgj n ILE 80 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2hgj n HIS 81 N -5.24 -0.24 -0.29 1.39 -0.00 -0.23 -0.21 115.22 110.39 2hgj n HIS 81 Ca 0.02 0.69 -0.12 0.00 0.46 0.00 0.00 57.72 58.77 2hgj n HIS 81 Cb 0.26 -0.53 -0.10 0.00 -0.12 0.00 0.00 29.99 29.51 2hgj n HIS 81 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2hgj h GLY 82 N 0.00 -0.91 -0.51 1.57 0.00 0.31 0.16 103.07 103.69 2hgj h GLY 82 Ca 0.09 0.76 0.25 0.00 0.00 0.00 0.00 47.33 48.43 2hgj h GLY 82 CO -0.52 -0.03 0.25 -2.00 0.00 0.00 0.00 176.54 174.25 2hgj h LEU 83 N -0.18 0.01 0.05 3.11 5.85 0.16 -0.19 115.31 124.11 2hgj h LEU 83 Ca 0.12 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2hgj h LEU 83 Cb 0.50 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2hgj h LEU 83 CO -0.79 -0.18 -0.02 0.50 -0.34 0.00 0.00 178.44 177.61 2hgj h LYS 84 N 0.19 -0.06 -0.93 1.25 1.63 0.60 -2.79 116.57 116.47 2hgj h LYS 84 Ca 0.57 0.00 0.27 0.00 -0.85 0.00 0.00 60.65 60.65 2hgj h LYS 84 Cb 1.19 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 2hgj h LYS 84 CO -0.67 0.58 0.77 -0.22 -3.45 0.00 0.00 179.45 176.46 2hgj h LYS 85 N -0.84 0.00 -6.00 1.90 3.64 -0.54 -3.38 116.57 111.35 2hgj h LYS 85 Ca -0.01 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.72 2hgj h LYS 85 Cb 0.67 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2hgj h LYS 85 CO 0.01 0.00 1.42 0.00 -2.27 0.00 0.00 179.45 178.61 2hgj n ALA 86 N -2.57 1.23 -0.71 5.00 0.00 -0.13 -5.00 120.51 118.34 2hgj n ALA 86 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2hgj n ALA 86 Cb 1.09 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2hgj n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 87 N 6.26 0.00 0.13 0.00 0.00 -1.26 -4.10 105.19 106.22 2hgj n GLY 87 Ca 0.38 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.44 2hgj n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hgj n ILE 88 N 0.00 0.08 -3.96 -0.61 2.08 -1.26 -4.70 119.36 110.99 2hgj n ILE 88 Ca 0.00 -0.09 -0.30 0.00 0.56 0.00 0.00 62.75 62.92 2hgj n ILE 88 Cb 0.00 -0.02 -0.16 0.00 -0.75 0.00 0.00 39.64 38.71 2hgj n ILE 88 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2hgj s GLU 89 N -1.92 1.79 -0.30 0.38 -1.05 -1.26 -5.11 118.70 111.23 2hgj s GLU 89 Ca 0.13 -0.82 -0.11 0.00 -0.15 0.00 0.00 54.97 54.02 2hgj s GLU 89 Cb 0.06 -2.39 0.17 0.00 -0.44 0.00 0.00 34.13 31.54 2hgj s GLU 89 CO 0.10 -0.48 0.91 0.08 0.95 0.00 0.00 175.26 176.82 2hgj s VAL 90 N 1.44 -0.57 -0.28 1.83 1.01 -1.26 -4.61 120.40 117.96 2hgj s VAL 90 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 2hgj s VAL 90 Cb -0.17 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.32 2hgj s VAL 90 CO -0.07 0.00 0.82 -0.62 0.00 0.00 0.00 175.10 175.22 2hgj s ASP 91 N 2.75 -0.74 -0.27 3.32 2.15 -1.26 -5.09 116.67 117.53 2hgj s ASP 91 Ca 0.03 1.22 -0.12 0.00 0.43 0.00 0.00 52.55 54.11 2hgj s ASP 91 Cb -0.10 1.30 -0.14 0.00 -0.30 0.00 0.00 42.92 43.68 2hgj s ASP 91 CO -0.16 -0.20 -0.27 -1.14 -0.17 0.00 0.00 175.17 173.24 2hgj n ARG 92 N 3.82 0.60 -0.08 4.34 0.63 -1.26 -3.93 116.66 120.78 2hgj n ARG 92 Ca -0.18 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2hgj n ARG 92 Cb 0.58 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.97 2hgj n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2hgj n LYS 93 N -4.08 0.35 0.00 -0.14 4.76 -1.26 -0.12 118.16 117.68 2hgj n LYS 93 Ca -0.51 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.93 2hgj n LYS 93 Cb 0.89 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 2hgj n LYS 93 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2hgj n ASN 94 N 1.31 0.00 -0.15 4.39 3.02 -1.26 -4.83 115.26 117.74 2hgj n ASN 94 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 2hgj n ASN 94 Cb 0.17 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 2hgj n ASN 94 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2hgj n LEU 95 N -1.61 -0.39 -0.01 3.41 4.77 0.84 0.43 117.00 124.44 2hgj n LEU 95 Ca 0.00 0.73 -0.14 0.00 -0.03 0.00 0.00 56.01 56.58 2hgj n LEU 95 Cb 0.00 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 2hgj n LEU 95 CO 0.00 -0.57 0.54 0.00 -1.33 0.00 0.00 177.39 176.03 2hgj h ALA 96 N 0.10 -0.73 -0.69 -1.18 0.00 -1.92 0.32 119.26 115.16 2hgj h ALA 96 Ca 0.06 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.09 2hgj h ALA 96 Cb 0.15 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 2hgj h ALA 96 CO -0.34 -1.01 -0.13 -0.25 0.00 0.00 0.00 179.25 177.52 2hgj n ASP 97 N -5.44 -0.21 -0.07 0.00 9.92 1.46 -1.26 116.55 120.95 2hgj n ASP 97 Ca -0.05 1.19 -0.17 0.00 -0.53 0.00 0.00 54.79 55.23 2hgj n ASP 97 Cb 0.37 -0.38 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 2hgj n ASP 97 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2hgj h LEU 98 N 0.00 0.03 -2.12 0.64 -0.00 0.11 -0.13 115.31 113.84 2hgj h LEU 98 Ca 0.35 -0.85 0.03 0.00 -0.00 0.00 0.00 57.88 57.41 2hgj h LEU 98 Cb 0.60 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2hgj h LEU 98 CO -0.70 1.18 0.07 0.00 -0.00 0.00 0.00 178.44 179.00 2hgj h ALA 99 N -0.14 1.95 0.14 1.53 0.00 -0.96 0.25 119.26 122.03 2hgj h ALA 99 Ca -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2hgj h ALA 99 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2hgj h ALA 99 CO -0.05 -0.12 -0.07 -0.39 0.00 0.00 0.00 179.25 178.62 2hgj h VAL 100 N 0.00 0.00 -0.03 0.00 -1.51 -1.25 -3.34 116.25 110.12 2hgj h VAL 100 Ca 0.04 -0.14 -0.18 0.00 -1.23 0.00 0.00 66.70 65.19 2hgj h VAL 100 Cb 0.19 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.34 2hgj h VAL 100 CO -0.00 0.00 -0.78 0.08 -1.23 0.00 0.00 177.57 175.64 2hgj h ARG 101 N -0.33 0.25 -2.45 5.19 0.11 -0.85 -3.39 114.38 112.91 2hgj h ARG 101 Ca -0.02 -0.23 -0.59 0.00 0.10 0.00 0.00 59.98 59.24 2hgj h ARG 101 Cb 0.14 0.06 -0.40 0.00 1.11 0.00 0.00 29.97 30.87 2hgj h ARG 101 CO 0.03 0.91 -0.80 0.39 0.10 0.00 0.00 179.97 180.60 2hgj n GLU 102 N -3.75 1.33 -0.51 0.08 4.71 0.06 -4.92 120.64 117.64 2hgj n GLU 102 Ca -0.03 -3.92 0.43 0.00 -0.01 0.00 0.00 57.16 53.62 2hgj n GLU 102 Cb 0.74 -1.89 0.71 0.00 -1.01 0.00 0.00 31.44 29.98 2hgj n GLU 102 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2hgj h PRO 103 N 4.87 0.00 0.39 3.49 0.13 -1.68 7.97 132.00 147.17 2hgj h PRO 103 Ca 0.18 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 2hgj h PRO 103 Cb 0.80 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2hgj h PRO 103 CO 0.60 0.00 -0.19 1.96 -0.23 0.00 0.00 178.00 180.14 2hgj h GLN 104 N 0.00 -0.51 -0.67 0.86 4.20 -1.91 -0.37 115.11 116.71 2hgj h GLN 104 Ca 0.90 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.73 2hgj h GLN 104 Cb 3.00 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 30.80 2hgj h GLN 104 CO -0.40 -0.34 -0.32 1.55 -0.67 0.00 0.00 178.83 178.65 2hgj n VAL 105 N -3.71 -0.40 0.28 -0.54 3.14 2.53 0.13 118.33 119.76 2hgj n VAL 105 Ca -0.07 1.60 -0.11 0.00 -2.96 0.00 0.00 64.34 62.80 2hgj n VAL 105 Cb 0.21 -2.05 -0.05 0.00 -1.06 0.00 0.00 33.84 30.88 2hgj n VAL 105 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 2hgj h PHE 106 N 0.00 -0.67 -0.02 1.45 -1.00 -1.03 -1.02 116.94 114.64 2hgj h PHE 106 Ca 0.18 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.95 2hgj h PHE 106 Cb 0.35 0.22 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 2hgj h PHE 106 CO -0.63 -0.42 -0.01 0.00 -1.61 0.00 0.00 178.31 175.64 2hgj n ALA 107 N -2.49 -0.00 0.10 2.45 0.00 0.12 0.63 120.51 121.31 2hgj n ALA 107 Ca -0.09 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 2hgj n ALA 107 Cb 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 2hgj n ALA 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hgj h GLU 108 N 0.00 -0.34 -1.46 0.00 9.09 -0.90 -0.89 114.58 120.08 2hgj h GLU 108 Ca 0.01 0.02 0.46 0.00 0.05 0.00 0.00 59.36 59.90 2hgj h GLU 108 Cb 0.01 0.08 -0.10 0.00 -1.65 0.00 0.00 28.75 27.09 2hgj h GLU 108 CO -0.02 -0.15 1.00 1.28 0.05 0.00 0.00 179.01 181.17 2hgj n LEU 109 N -5.01 0.10 0.00 3.06 4.77 0.20 0.95 117.00 121.08 2hgj n LEU 109 Ca -0.05 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 2hgj n LEU 109 Cb 0.18 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2hgj n LEU 109 CO 0.15 -1.13 0.20 0.52 -1.33 0.00 0.00 177.39 175.80 2hgj n VAL 110 N -4.13 0.00 -0.21 4.08 0.31 0.21 -0.84 118.33 117.75 2hgj n VAL 110 Ca 0.37 0.91 -0.03 0.00 -0.01 0.00 0.00 64.34 65.59 2hgj n VAL 110 Cb 1.57 -1.86 -0.01 0.00 -0.91 0.00 0.00 33.84 32.63 2hgj n VAL 110 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2hgj n GLU 111 N -0.45 -0.17 0.16 5.55 0.28 0.27 0.15 120.64 126.44 2hgj n GLU 111 Ca 0.00 0.80 -0.14 0.00 -0.16 0.00 0.00 57.16 57.66 2hgj n GLU 111 Cb 0.00 -1.19 -0.07 0.00 1.43 0.00 0.00 31.44 31.62 2hgj n GLU 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2hgj h ARG 112 N 0.00 -0.48 -0.58 3.44 3.08 -1.09 -1.09 114.38 117.66 2hgj h ARG 112 Ca 0.14 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2hgj h ARG 112 Cb 0.27 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2hgj h ARG 112 CO -0.51 -0.32 0.37 0.00 -1.07 0.00 0.00 179.97 178.44 2hgj h ALA 113 N 0.19 0.74 -0.64 0.04 0.00 0.34 0.15 119.26 120.09 2hgj h ALA 113 Ca -0.00 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2hgj h ALA 113 Cb 0.46 -0.23 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 2hgj h ALA 113 CO -0.06 0.20 -0.14 1.57 0.00 0.00 0.00 179.25 180.82 2hgj h LYS 114 N 0.78 0.01 -0.09 0.00 2.10 -0.61 1.40 116.57 120.17 2hgj h LYS 114 Ca 0.21 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2hgj h LYS 114 Cb -0.05 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.27 2hgj h LYS 114 CO -0.04 0.01 0.05 0.00 -2.00 0.00 0.00 179.45 177.47 2hgj h ALA 115 N 1.63 0.12 -0.32 0.07 0.00 -0.49 -1.09 119.26 119.18 2hgj h ALA 115 Ca 0.31 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2hgj h ALA 115 Cb 0.48 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2hgj h ALA 115 CO -0.65 -0.36 -0.02 0.00 0.00 0.00 0.00 179.25 178.22 2hgj n ALA 116 N -2.14 0.13 -0.02 0.00 0.00 0.47 0.34 120.51 119.29 2hgj n ALA 116 Ca -0.05 0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.67 2hgj n ALA 116 Cb 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 2hgj n ALA 116 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2hgj h GLN 117 N 0.00 -0.07 0.00 0.00 1.08 -0.93 -3.46 115.11 111.73 2hgj h GLN 117 Ca 0.18 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2hgj h GLN 117 Cb 0.34 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2hgj h GLN 117 CO -0.31 0.25 0.00 0.41 -0.95 0.00 0.00 178.83 178.23