#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hni s ASP 2 N 0.00 3.87 0.22 0.00 1.47 -1.26 -4.86 116.67 116.10 3hni s ASP 2 Ca 0.00 0.29 -0.09 0.00 1.18 0.00 0.00 52.55 53.93 3hni s ASP 2 Cb 0.00 -0.58 0.22 0.00 -0.34 0.00 0.00 42.92 42.23 3hni s ASP 2 CO 0.00 -2.24 1.85 0.25 0.68 0.00 0.00 175.17 175.71 3hni h LEU 3 N -1.17 0.78 -0.33 2.11 6.46 -1.94 -2.06 115.31 119.15 3hni h LEU 3 Ca -0.43 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 3hni h LEU 3 Cb 1.27 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 3hni h LEU 3 CO 0.47 0.53 0.17 -0.33 -0.62 0.00 0.00 178.44 178.67 3hni h GLU 4 N 0.92 0.47 -0.54 1.25 3.07 -1.98 0.35 114.58 118.12 3hni h GLU 4 Ca 0.31 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 3hni h GLU 4 Cb 0.03 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3hni h GLU 4 CO -0.12 0.41 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.43 3hni h ASP 5 N 0.40 0.96 -0.56 1.42 3.32 -1.89 -0.17 116.42 119.90 3hni h ASP 5 Ca 0.11 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3hni h ASP 5 Cb 0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3hni h ASP 5 CO -0.02 1.05 0.30 0.78 -1.72 0.00 0.00 179.24 179.63 3hni h ASN 6 N 0.85 0.74 -0.44 6.45 2.35 -1.17 -0.48 115.58 123.88 3hni h ASN 6 Ca 0.15 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3hni h ASN 6 Cb 0.58 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3hni h ASN 6 CO 0.03 0.62 -0.25 0.24 -1.65 0.00 0.00 177.43 176.43 3hni h MET 7 N 0.83 0.96 -0.20 0.81 2.86 -0.49 -0.97 114.93 118.73 3hni h MET 7 Ca 0.21 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3hni h MET 7 Cb 0.07 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3hni h MET 7 CO -0.03 1.09 0.09 0.93 1.06 0.00 0.00 176.91 180.05 3hni h GLU 8 N 0.82 0.29 -0.35 1.72 5.08 -0.81 -0.56 114.58 120.78 3hni h GLU 8 Ca 0.10 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3hni h GLU 8 Cb 0.82 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 3hni h GLU 8 CO 0.07 0.32 -0.08 1.15 -1.00 0.00 0.00 179.01 179.47 3hni h THR 9 N 0.19 0.66 -0.30 1.13 2.02 -0.98 0.26 112.91 115.88 3hni h THR 9 Ca 0.07 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 3hni h THR 9 Cb 0.13 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 3hni h THR 9 CO -0.01 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.79 3hni h LEU 10 N 0.01 -0.17 -0.24 2.58 4.07 -1.05 -1.90 115.31 118.61 3hni h LEU 10 Ca 0.17 0.08 -0.06 0.00 0.08 0.00 0.00 57.88 58.14 3hni h LEU 10 Cb 0.25 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3hni h LEU 10 CO -0.35 -0.05 -0.08 -1.13 -1.08 0.00 0.00 178.44 175.75 3hni h ASN 11 N 0.06 0.48 -0.65 -0.43 -1.24 -0.44 -2.25 115.58 111.12 3hni h ASN 11 Ca 0.15 -0.38 0.06 0.00 0.71 0.00 0.00 56.30 56.83 3hni h ASN 11 Cb 0.21 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 3hni h ASN 11 CO -0.27 0.76 0.35 0.44 -1.29 0.00 0.00 177.43 177.42 3hni h ASP 12 N 0.20 0.52 1.09 1.15 5.19 -0.45 -2.89 116.42 121.23 3hni h ASP 12 Ca 0.06 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 3hni h ASP 12 Cb 0.56 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 3hni h ASP 12 CO 0.03 0.34 -0.57 0.78 -3.12 0.00 0.00 179.24 176.70 3hni h ASN 13 N 0.65 0.00 -0.67 6.45 4.21 -1.29 -2.48 115.58 122.45 3hni h ASN 13 Ca 0.29 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.78 3hni h ASN 13 Cb 0.19 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 3hni h ASN 13 CO -0.18 0.57 0.34 0.25 -1.29 0.00 0.00 177.43 177.11 3hni h LEU 14 N 0.00 0.87 -0.57 1.61 5.85 -1.21 -1.58 115.31 120.28 3hni h LEU 14 Ca -0.01 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3hni h LEU 14 Cb 1.27 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3hni h LEU 14 CO 0.07 0.74 -0.07 0.11 -0.34 0.00 0.00 178.44 178.95 3hni h LYS 15 N 0.93 1.06 -0.78 1.25 1.57 -1.36 -2.35 116.57 116.89 3hni h LYS 15 Ca 0.23 -0.38 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3hni h LYS 15 Cb 0.09 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 3hni h LYS 15 CO -0.03 1.08 0.48 0.28 -0.57 0.00 0.00 179.45 180.68 3hni h VAL 16 N 0.95 1.05 -0.65 0.50 2.07 -1.27 -2.04 116.25 116.86 3hni h VAL 16 Ca 0.15 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3hni h VAL 16 Cb 0.65 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3hni h VAL 16 CO 0.04 0.16 0.25 0.40 0.02 0.00 0.00 177.57 178.44 3hni h ILE 17 N 0.90 1.24 -0.84 4.57 2.04 -1.06 -1.57 117.51 122.79 3hni h ILE 17 Ca 0.33 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3hni h ILE 17 Cb 0.11 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3hni h ILE 17 CO -0.15 0.30 0.56 -0.33 0.00 0.00 0.00 178.15 178.53 3hni h GLU 18 N 0.92 1.10 -0.00 2.37 5.08 -0.93 -2.71 114.58 120.40 3hni h GLU 18 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hni h GLU 18 Cb 0.23 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hni h GLU 18 CO -0.02 0.73 -0.36 1.63 -1.00 0.00 0.00 179.01 179.99 3hni n LYS 19 N -4.50 0.05 -1.79 2.33 5.02 -0.81 -4.96 118.16 113.49 3hni n LYS 19 Ca 0.09 -0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 3hni n LYS 19 Cb 0.02 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.58 3hni n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hni s ALA 20 N -2.97 2.71 -0.11 7.82 0.00 -0.60 -4.96 121.76 123.65 3hni s ALA 20 Ca 0.13 1.29 0.16 0.00 0.00 0.00 0.00 51.96 53.54 3hni s ALA 20 Cb 0.18 -3.56 -0.23 0.00 0.00 0.00 0.00 23.12 19.51 3hni s ALA 20 CO 0.65 -1.41 0.39 -0.25 0.00 0.00 0.00 175.76 175.14 3hni n ASP 21 N -1.23 1.31 -4.06 0.00 8.00 -1.26 -5.06 116.55 114.25 3hni n ASP 21 Ca 0.12 -0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3hni n ASP 21 Cb 0.46 1.63 -0.07 0.00 -0.02 0.00 0.00 41.12 43.11 3hni n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hni s ASN 22 N -3.64 0.03 0.39 -2.24 2.20 -1.26 -5.07 114.94 105.35 3hni s ASN 22 Ca -0.04 -1.06 0.21 0.00 -0.94 0.00 0.00 52.86 51.02 3hni s ASN 22 Cb 0.10 0.47 0.54 0.00 -2.00 0.00 0.00 41.25 40.36 3hni s ASN 22 CO 0.65 -0.97 1.66 0.00 -2.94 0.00 0.00 177.10 175.50 3hni h ALA 23 N 2.46 0.89 -0.41 3.54 0.00 -1.92 -3.10 119.26 120.72 3hni h ALA 23 Ca -0.31 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.40 3hni h ALA 23 Cb 1.24 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3hni h ALA 23 CO 0.45 0.35 0.13 0.00 0.00 0.00 0.00 179.25 180.18 3hni h ALA 24 N 1.72 0.48 -0.55 0.00 0.00 -1.98 0.30 119.26 119.23 3hni h ALA 24 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hni h ALA 24 Cb 1.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3hni h ALA 24 CO 0.04 -0.27 0.06 1.96 0.00 0.00 0.00 179.25 181.04 3hni h GLN 25 N 0.28 0.93 0.01 0.00 4.20 -1.97 -0.37 115.11 118.19 3hni h GLN 25 Ca 0.20 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hni h GLN 25 Cb 0.20 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3hni h GLN 25 CO -0.22 0.91 -0.01 0.28 -0.67 0.00 0.00 178.83 179.13 3hni h VAL 26 N 0.81 1.13 -0.15 -0.54 2.07 -1.44 -2.10 116.25 116.04 3hni h VAL 26 Ca 0.16 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3hni h VAL 26 Cb 0.46 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 3hni h VAL 26 CO 0.02 0.11 -0.34 0.50 0.02 0.00 0.00 177.57 177.88 3hni h LYS 27 N -0.20 -0.39 -0.42 1.57 3.64 -0.29 -0.48 116.57 120.01 3hni h LYS 27 Ca -0.00 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3hni h LYS 27 Cb 0.19 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 3hni h LYS 27 CO 0.00 -0.26 0.06 0.22 -2.27 0.00 0.00 179.45 177.20 3hni h ASP 28 N -0.40 -0.05 -0.72 4.20 1.82 -1.05 -1.38 116.42 118.84 3hni h ASP 28 Ca 0.10 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.75 3hni h ASP 28 Cb 0.56 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 3hni h ASP 28 CO -0.37 0.01 0.20 0.00 -1.61 0.00 0.00 179.24 177.47 3hni h ALA 29 N 1.33 0.95 -0.34 -0.78 0.00 -0.93 -2.48 119.26 117.02 3hni h ALA 29 Ca 0.20 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3hni h ALA 29 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hni h ALA 29 CO -0.29 0.65 -0.34 -0.07 0.00 0.00 0.00 179.25 179.19 3hni h LEU 30 N 1.08 0.79 -0.44 0.00 3.38 -0.75 -1.71 115.31 117.65 3hni h LEU 30 Ca 0.23 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hni h LEU 30 Cb 0.34 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3hni h LEU 30 CO -0.00 1.06 0.21 0.74 0.09 0.00 0.00 178.44 180.54 3hni h THR 31 N 0.63 0.94 -0.77 0.22 2.02 -1.11 0.76 112.91 115.60 3hni h THR 31 Ca 0.06 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 3hni h THR 31 Cb 0.88 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3hni h THR 31 CO 0.08 0.08 0.30 0.11 0.37 0.00 0.00 175.52 176.45 3hni h LYS 32 N 0.41 1.15 -0.68 6.66 1.57 -1.24 -2.28 116.57 122.16 3hni h LYS 32 Ca 0.20 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3hni h LYS 32 Cb 0.13 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3hni h LYS 32 CO -0.15 0.94 0.21 0.52 -0.57 0.00 0.00 179.45 180.40 3hni h MET 33 N 1.11 1.05 -0.47 3.15 2.86 -0.76 -1.48 114.93 120.39 3hni h MET 33 Ca 0.25 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3hni h MET 33 Cb 0.22 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3hni h MET 33 CO -0.02 0.91 0.17 0.00 1.06 0.00 0.00 176.91 179.03 3hni h ALA 34 N 1.09 0.61 -0.78 6.32 0.00 -0.63 0.70 119.26 126.56 3hni h ALA 34 Ca 0.22 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hni h ALA 34 Cb 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3hni h ALA 34 CO -0.01 0.24 0.51 0.00 0.00 0.00 0.00 179.25 179.99 3hni h ALA 35 N 1.02 1.02 -0.40 0.00 0.00 -1.23 -1.25 119.26 118.41 3hni h ALA 35 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hni h ALA 35 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hni h ALA 35 CO -0.01 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.61 3hni h ALA 36 N 1.31 0.54 -0.28 0.00 0.00 -0.92 -1.46 119.26 118.44 3hni h ALA 36 Ca 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hni h ALA 36 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hni h ALA 36 CO -0.09 0.29 0.09 0.00 0.00 0.00 0.00 179.25 179.54 3hni h ALA 37 N 0.90 0.37 -1.00 0.00 0.00 -0.72 -1.03 119.26 117.78 3hni h ALA 37 Ca 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hni h ALA 37 Cb 0.44 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3hni h ALA 37 CO 0.02 -0.01 0.67 0.00 0.00 0.00 0.00 179.25 179.92 3hni h ALA 38 N 0.93 1.28 -0.04 0.00 0.00 -1.18 -2.08 119.26 118.16 3hni h ALA 38 Ca 0.09 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3hni h ALA 38 Cb 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hni h ALA 38 CO -0.00 0.66 -0.54 0.22 0.00 0.00 0.00 179.25 179.58 3hni h ASP 39 N 1.36 0.13 0.62 0.00 3.58 -1.12 -3.07 116.42 117.93 3hni h ASP 39 Ca 0.37 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 3hni h ASP 39 Cb -0.15 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 3hni h ASP 39 CO -0.08 0.64 -0.16 0.00 -2.88 0.00 0.00 179.24 176.76 3hni h ALA 40 N 1.36 1.14 -0.92 -0.78 0.00 -0.48 -3.33 119.26 116.26 3hni h ALA 40 Ca -0.00 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.03 3hni h ALA 40 Cb 0.98 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 3hni h ALA 40 CO 0.08 0.20 0.27 2.35 0.00 0.00 0.00 179.25 182.15 3hni h TRP 41 N 0.00 0.41 -0.00 0.00 2.91 -1.41 -0.51 115.95 117.35 3hni h TRP 41 Ca -0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3hni h TRP 41 Cb 0.51 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 3hni h TRP 41 CO 0.00 -0.25 -0.01 -1.13 -1.03 0.00 0.00 178.44 176.02 3hni n SER 42 N -5.24 0.03 -4.78 2.65 3.41 -1.25 -4.92 113.62 103.52 3hni n SER 42 Ca 0.24 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.51 3hni n SER 42 Cb 0.77 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 3hni n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hni s ALA 43 N -2.71 3.17 -0.26 7.33 0.00 -0.20 -5.05 121.76 124.05 3hni s ALA 43 Ca 0.24 0.73 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 3hni s ALA 43 Cb 0.20 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3hni s ALA 43 CO 0.49 -0.17 0.12 0.99 0.00 0.00 0.00 175.76 177.19 3hni s THR 44 N -1.53 4.74 0.41 0.00 2.01 -1.26 -5.03 115.64 114.98 3hni s THR 44 Ca 0.54 -0.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 3hni s THR 44 Cb -0.24 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 3hni s THR 44 CO 0.30 0.31 1.08 -2.16 -0.69 0.00 0.00 174.62 173.47 3hni s PRO 45 N 1.61 4.06 0.40 4.92 0.04 -1.26 -4.91 135.00 139.86 3hni s PRO 45 Ca 0.06 1.59 0.14 0.00 0.04 0.00 0.00 61.00 62.84 3hni s PRO 45 Cb -0.15 -2.52 0.98 0.00 0.04 0.00 0.00 34.50 32.85 3hni s PRO 45 CO 0.06 -0.25 1.89 -1.00 0.04 0.00 0.00 177.00 177.75 3hni h PRO 46 N 2.40 0.49 0.00 0.56 0.13 -1.99 0.11 132.00 133.70 3hni h PRO 46 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hni h PRO 46 Cb 1.22 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hni h PRO 46 CO 0.62 0.32 0.00 -0.22 -0.23 0.00 0.00 178.00 178.49 3hni h LYS 47 N 0.51 0.00 -0.06 0.86 1.63 -1.93 -3.05 116.57 114.53 3hni h LYS 47 Ca 0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 3hni h LYS 47 Cb 0.87 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 3hni h LYS 47 CO -0.16 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.12 3hni n LEU 48 N -2.61 2.71 -0.19 5.20 4.77 0.00 -4.70 117.00 122.17 3hni n LEU 48 Ca 0.01 -3.07 0.05 0.00 -0.03 0.00 0.00 56.01 52.97 3hni n LEU 48 Cb 0.25 -0.46 0.33 0.00 -2.33 0.00 0.00 43.42 41.21 3hni n LEU 48 CO 0.22 0.70 1.22 -0.33 -1.33 0.00 0.00 177.39 177.88 3hni h GLU 49 N 0.42 0.78 0.00 3.23 5.08 -1.38 -1.97 114.58 120.75 3hni h GLU 49 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hni h GLU 49 Cb 1.10 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3hni h GLU 49 CO 0.05 0.52 0.00 -0.40 -1.00 0.00 0.00 179.01 178.18 3hni n ASP 50 N -4.47 0.00 -4.90 1.42 5.75 -1.26 -4.81 116.55 108.27 3hni n ASP 50 Ca 0.11 0.41 -0.31 0.00 -0.01 0.00 0.00 54.79 54.99 3hni n ASP 50 Cb 0.20 -0.47 -0.05 0.00 -1.03 0.00 0.00 41.12 39.78 3hni n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hni s LYS 51 N -2.93 3.60 0.46 0.11 -0.14 -0.74 -5.07 119.74 115.03 3hni s LYS 51 Ca 0.13 -0.12 -0.24 0.00 -1.36 0.00 0.00 55.97 54.38 3hni s LYS 51 Cb 0.16 -2.86 -0.08 0.00 -1.68 0.00 0.00 37.83 33.37 3hni s LYS 51 CO 0.42 0.47 1.28 0.43 -0.76 0.00 0.00 175.35 177.19 3hni n SER 52 N 0.04 2.51 0.33 2.83 7.64 -1.26 -4.89 113.62 120.83 3hni n SER 52 Ca -0.03 1.06 0.22 0.00 1.01 0.00 0.00 58.87 61.13 3hni n SER 52 Cb 0.52 -1.52 1.16 0.00 -1.01 0.00 0.00 64.21 63.36 3hni n SER 52 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3hni h PRO 53 N 1.85 0.00 -0.23 1.43 0.11 -1.95 -1.00 132.00 132.20 3hni h PRO 53 Ca -0.49 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 3hni h PRO 53 Cb 1.30 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 3hni h PRO 53 CO 0.59 0.00 -0.50 -0.25 -0.21 0.00 0.00 178.00 177.63 3hni n ASP 54 N -3.18 2.64 -4.76 -2.05 8.00 -1.26 -4.82 116.55 111.12 3hni n ASP 54 Ca -0.03 -3.86 -0.32 0.00 0.71 0.00 0.00 54.79 51.29 3hni n ASP 54 Cb 0.09 -0.51 0.07 0.00 -0.02 0.00 0.00 41.12 40.75 3hni n ASP 54 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3hni s SER 55 N -3.21 4.72 0.31 -2.24 0.01 -0.38 -4.89 113.70 108.02 3hni s SER 55 Ca 0.42 1.93 0.04 0.00 1.31 0.00 0.00 55.95 59.65 3hni s SER 55 Cb 0.39 -2.54 0.65 0.00 0.21 0.00 0.00 66.02 64.73 3hni s SER 55 CO -0.04 -1.89 1.87 -0.65 0.41 0.00 0.00 173.24 172.94 3hni h PRO 56 N -0.60 0.86 -0.44 12.44 0.11 -1.97 -1.10 132.00 141.30 3hni h PRO 56 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hni h PRO 56 Cb 1.24 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3hni h PRO 56 CO 0.52 0.57 0.27 0.93 -0.21 0.00 0.00 178.00 180.08 3hni h GLU 57 N 0.89 0.60 -0.22 1.05 3.07 -1.93 -1.19 114.58 116.84 3hni h GLU 57 Ca 0.45 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.15 3hni h GLU 57 Cb 0.51 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3hni h GLU 57 CO -0.22 0.44 -0.35 0.52 -1.40 0.00 0.00 179.01 178.01 3hni h MET 58 N 0.58 0.47 -0.55 2.33 2.86 -1.77 0.11 114.93 118.97 3hni h MET 58 Ca 0.16 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3hni h MET 58 Cb -0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3hni h MET 58 CO -0.03 0.76 0.14 0.45 1.06 0.00 0.00 176.91 179.29 3hni h HIS 59 N 0.40 0.91 -0.09 -0.22 3.86 -1.04 -1.81 115.15 117.16 3hni h HIS 59 Ca 0.05 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 59.00 3hni h HIS 59 Cb 0.80 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 3hni h HIS 59 CO 0.03 0.79 -0.60 0.22 0.86 0.00 0.00 177.93 179.23 3hni h ASP 60 N 0.78 0.35 0.24 2.45 3.58 -0.97 -1.23 116.42 121.62 3hni h ASP 60 Ca 0.17 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.43 3hni h ASP 60 Cb 0.33 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3hni h ASP 60 CO -0.00 0.86 -0.38 0.15 -2.88 0.00 0.00 179.24 177.00 3hni h PHE 61 N 0.23 -1.03 0.00 0.28 3.57 -0.89 -2.71 116.94 116.39 3hni h PHE 61 Ca -0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3hni h PHE 61 Cb 1.11 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 40.27 3hni h PHE 61 CO 0.03 -0.50 -0.13 0.00 -2.23 0.00 0.00 178.31 175.47 3hni h ARG 62 N -0.69 0.00 -0.92 1.11 3.08 -1.27 -2.45 114.38 113.24 3hni h ARG 62 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3hni h ARG 62 Cb 0.66 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 3hni h ARG 62 CO -0.15 0.13 0.61 1.25 -1.07 0.00 0.00 179.97 180.75 3hni h HIS 63 N 0.00 1.16 -0.52 3.04 2.76 -0.89 -1.96 115.15 118.73 3hni h HIS 63 Ca -0.00 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3hni h HIS 63 Cb 0.28 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 3hni h HIS 63 CO 0.00 0.72 0.35 0.78 -1.30 0.00 0.00 177.93 178.48 3hni h GLY 64 N 1.25 0.73 1.57 5.26 0.00 -1.32 -1.47 103.07 109.09 3hni h GLY 64 Ca 0.34 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.26 3hni h GLY 64 CO -0.08 0.27 -0.46 0.74 0.00 0.00 0.00 176.54 177.01 3hni h PHE 65 N 0.71 0.57 -0.32 5.60 0.05 -1.47 -0.73 116.94 121.35 3hni h PHE 65 Ca 0.19 -0.18 0.03 0.00 3.82 0.00 0.00 57.97 61.83 3hni h PHE 65 Cb -0.08 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 37.72 3hni h PHE 65 CO -0.00 0.85 0.13 -1.49 -0.18 0.00 0.00 178.31 177.62 3hni h TRP 66 N 0.38 0.24 -0.14 -0.55 6.55 -0.84 0.17 115.95 121.76 3hni h TRP 66 Ca 0.02 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.88 3hni h TRP 66 Cb 0.96 -0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 29.19 3hni h TRP 66 CO 0.03 0.12 0.08 0.82 -1.05 0.00 0.00 178.44 178.45 3hni h ILE 67 N 0.29 1.07 -0.25 1.49 1.08 -1.10 -1.30 117.51 118.78 3hni h ILE 67 Ca 0.14 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 3hni h ILE 67 Cb 0.08 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3hni h ILE 67 CO -0.12 0.06 0.08 0.25 -0.69 0.00 0.00 178.15 177.74 3hni h LEU 68 N 0.15 0.08 -0.71 1.44 5.85 -0.96 -1.71 115.31 119.46 3hni h LEU 68 Ca 0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3hni h LEU 68 Cb 0.03 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3hni h LEU 68 CO -0.01 0.08 0.34 0.40 -0.34 0.00 0.00 178.44 178.91 3hni h ILE 69 N 0.19 1.23 -0.80 4.05 2.04 -0.49 -1.11 117.51 122.63 3hni h ILE 69 Ca 0.11 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3hni h ILE 69 Cb 0.08 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3hni h ILE 69 CO -0.12 0.27 0.52 1.23 0.00 0.00 0.00 178.15 180.05 3hni h GLY 70 N 0.99 1.14 1.22 5.37 0.00 -1.02 -0.81 103.07 109.97 3hni h GLY 70 Ca 0.24 -0.43 -0.21 0.00 0.00 0.00 0.00 47.33 46.93 3hni h GLY 70 CO -0.03 0.42 -0.72 1.46 0.00 0.00 0.00 176.54 177.67 3hni h GLN 71 N 1.09 0.77 -0.34 4.80 4.20 -0.71 -2.22 115.11 122.70 3hni h GLN 71 Ca 0.29 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 3hni h GLN 71 Cb -0.11 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3hni h GLN 71 CO -0.06 1.21 0.14 0.82 -0.67 0.00 0.00 178.83 180.27 3hni h ILE 72 N 0.54 1.18 -0.56 2.54 2.04 -1.10 -1.21 117.51 120.94 3hni h ILE 72 Ca -0.04 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.38 3hni h ILE 72 Cb 1.34 0.92 -0.11 0.00 -0.74 0.00 0.00 36.82 38.23 3hni h ILE 72 CO 0.15 0.20 -0.15 -0.74 0.00 0.00 0.00 178.15 177.60 3hni h HIS 73 N 0.40 -0.33 -0.21 1.37 2.76 -1.09 0.82 115.15 118.87 3hni h HIS 73 Ca 0.11 0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 3hni h HIS 73 Cb 0.18 0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 3hni h HIS 73 CO -0.01 -0.25 -0.27 0.22 -1.30 0.00 0.00 177.93 176.32 3hni h ASP 74 N -0.01 0.60 -0.81 3.26 1.82 -1.18 -2.84 116.42 117.26 3hni h ASP 74 Ca 0.27 -0.51 0.02 0.00 -0.39 0.00 0.00 57.03 56.42 3hni h ASP 74 Cb 0.42 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.22 3hni h ASP 74 CO -0.59 0.99 0.53 0.00 -1.61 0.00 0.00 179.24 178.56 3hni h ALA 75 N 0.63 1.46 -0.60 -0.78 0.00 -0.80 -2.08 119.26 117.08 3hni h ALA 75 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hni h ALA 75 Cb 0.84 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3hni h ALA 75 CO 0.06 0.49 0.25 1.25 0.00 0.00 0.00 179.25 181.30 3hni h LEU 76 N 1.06 0.83 -0.56 0.00 5.85 -0.73 -0.60 115.31 121.16 3hni h LEU 76 Ca 0.31 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.94 3hni h LEU 76 Cb -0.06 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 3hni h LEU 76 CO -0.08 0.76 0.23 0.45 -0.34 0.00 0.00 178.44 179.47 3hni h HIS 77 N 0.84 0.41 -0.50 1.25 3.86 -1.15 0.12 115.15 119.98 3hni h HIS 77 Ca 0.20 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3hni h HIS 77 Cb 0.18 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3hni h HIS 77 CO 0.01 0.14 0.20 -0.07 0.86 0.00 0.00 177.93 179.07 3hni h LEU 78 N 0.43 0.69 -0.52 2.43 3.38 -0.87 -0.27 115.31 120.58 3hni h LEU 78 Ca 0.27 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3hni h LEU 78 Cb 0.28 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3hni h LEU 78 CO -0.25 0.67 0.26 0.00 0.09 0.00 0.00 178.44 179.21 3hni h ALA 79 N 1.05 0.66 -0.28 1.53 0.00 -0.88 -1.21 119.26 120.12 3hni h ALA 79 Ca 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hni h ALA 79 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hni h ALA 79 CO -0.01 -0.09 0.16 -0.91 0.00 0.00 0.00 179.25 178.40 3hni h ASN 80 N 0.50 0.34 0.31 0.00 -0.26 -0.19 0.10 115.58 116.37 3hni h ASN 80 Ca 0.23 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 3hni h ASN 80 Cb 0.15 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 3hni h ASN 80 CO -0.17 0.27 0.00 -0.62 -1.06 0.00 0.00 177.43 175.85 3hni n GLU 81 N -4.47 0.63 -0.91 0.81 1.02 -0.16 -4.88 120.64 112.68 3hni n GLU 81 Ca 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3hni n GLU 81 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3hni n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hni n GLY 82 N 1.02 0.52 3.31 0.62 0.00 0.02 -4.97 105.19 105.72 3hni n GLY 82 Ca 0.17 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 3hni n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hni n LYS 83 N -2.91 3.41 0.13 1.61 5.02 -0.52 -4.83 118.16 120.08 3hni n LYS 83 Ca 0.00 -3.72 -0.14 0.00 -2.02 0.00 0.00 58.31 52.43 3hni n LYS 83 Cb 0.00 -3.04 -0.08 0.00 -0.02 0.00 0.00 35.03 31.89 3hni n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hni h VAL 84 N 4.46 0.84 -0.50 -0.18 2.07 -1.88 -0.76 116.25 120.30 3hni h VAL 84 Ca 0.35 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3hni h VAL 84 Cb 0.81 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3hni h VAL 84 CO 1.36 0.08 0.29 0.11 0.02 0.00 0.00 177.57 179.43 3hni h LYS 85 N -0.49 0.56 0.00 1.57 1.79 -1.97 0.93 116.57 118.95 3hni h LYS 85 Ca -0.03 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 3hni h LYS 85 Cb 0.37 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 3hni h LYS 85 CO 0.05 0.37 -0.56 1.05 -1.08 0.00 0.00 179.45 179.28 3hni h GLU 86 N 0.58 0.00 -0.46 3.15 9.09 -1.95 -0.21 114.58 124.78 3hni h GLU 86 Ca 0.20 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.49 3hni h GLU 86 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 3hni h GLU 86 CO -0.10 0.56 -0.20 0.00 0.05 0.00 0.00 179.01 179.32 3hni h ALA 87 N 1.44 0.64 -0.65 1.06 0.00 -0.73 -0.84 119.26 120.17 3hni h ALA 87 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3hni h ALA 87 Cb 1.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hni h ALA 87 CO 0.07 0.62 0.24 1.96 0.00 0.00 0.00 179.25 182.14 3hni h GLN 88 N 0.79 0.97 -0.27 0.00 4.20 -0.51 -1.11 115.11 119.17 3hni h GLN 88 Ca 0.10 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 3hni h GLN 88 Cb 0.78 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3hni h GLN 88 CO 0.06 0.80 -0.24 0.00 -0.67 0.00 0.00 178.83 178.79 3hni h ALA 89 N 1.32 0.39 -0.67 3.87 0.00 -0.94 -1.35 119.26 121.89 3hni h ALA 89 Ca 0.22 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hni h ALA 89 Cb 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3hni h ALA 89 CO -0.02 0.37 0.44 0.00 0.00 0.00 0.00 179.25 180.04 3hni h ALA 90 N 0.70 1.63 -0.57 0.00 0.00 -0.93 -0.46 119.26 119.63 3hni h ALA 90 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hni h ALA 90 Cb 0.79 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hni h ALA 90 CO 0.06 0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.67 3hni h ALA 91 N 1.61 0.76 -0.66 0.00 0.00 -1.01 -1.83 119.26 118.13 3hni h ALA 91 Ca 0.27 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hni h ALA 91 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3hni h ALA 91 CO -0.07 0.54 0.39 0.93 0.00 0.00 0.00 179.25 181.04 3hni h GLU 92 N 0.85 0.73 -0.42 0.00 4.39 -0.51 -3.05 114.58 116.58 3hni h GLU 92 Ca 0.17 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 3hni h GLU 92 Cb 0.47 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3hni h GLU 92 CO 0.02 0.48 -0.11 1.96 -1.16 0.00 0.00 179.01 180.20 3hni h GLN 93 N 0.75 0.74 -0.38 2.33 4.20 -0.86 -2.74 115.11 119.15 3hni h GLN 93 Ca 0.28 -0.24 0.11 0.00 0.06 0.00 0.00 58.65 58.86 3hni h GLN 93 Cb 0.09 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3hni h GLN 93 CO -0.14 0.82 0.35 -0.07 -0.67 0.00 0.00 178.83 179.12 3hni h LEU 94 N 0.67 0.00 -2.04 1.46 3.38 -1.22 -2.35 115.31 115.22 3hni h LEU 94 Ca 0.12 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.18 3hni h LEU 94 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3hni h LEU 94 CO 0.04 0.00 0.24 0.11 0.09 0.00 0.00 178.44 178.92 3hni h LYS 95 N 0.00 0.00 -0.99 1.13 1.57 -1.56 0.14 116.57 116.86 3hni h LYS 95 Ca 0.18 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 3hni h LYS 95 Cb 0.87 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.11 3hni h LYS 95 CO -0.00 0.00 0.64 1.15 -0.57 0.00 0.00 179.45 180.67 3hni h THR 96 N 0.00 1.08 -0.18 -0.16 2.02 -1.63 0.63 112.91 114.67 3hni h THR 96 Ca 0.15 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3hni h THR 96 Cb 0.63 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3hni h THR 96 CO -0.00 0.21 -0.04 0.74 0.37 0.00 0.00 175.52 176.80 3hni h THR 97 N 1.15 1.28 -0.23 3.16 2.02 -0.92 -1.26 112.91 118.11 3hni h THR 97 Ca 0.43 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.67 3hni h THR 97 Cb 0.19 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 3hni h THR 97 CO -0.17 0.30 -0.14 0.00 0.37 0.00 0.00 175.52 175.88 3hni h ASN 99 N -0.12 0.83 -0.87 0.00 -0.26 -0.86 -1.99 115.58 112.30 3hni h ASN 99 Ca 0.13 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3hni h ASN 99 Cb 0.31 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.31 3hni h ASN 99 CO -0.31 0.93 0.52 0.00 -1.06 0.00 0.00 177.43 177.51 3hni h ALA 100 N 0.92 1.11 -0.26 -0.83 0.00 -1.11 0.53 119.26 119.63 3hni h ALA 100 Ca 0.14 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3hni h ALA 100 Cb 0.51 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hni h ALA 100 CO 0.02 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.53 3hni h HIS 102 N 0.40 0.52 -0.80 0.00 -0.00 -1.06 0.23 115.15 114.44 3hni h HIS 102 Ca 0.03 0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.54 3hni h HIS 102 Cb 0.91 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 28.10 3hni h HIS 102 CO 0.08 0.29 0.52 1.96 -0.00 0.00 0.00 177.93 180.78 3hni h GLN 103 N 0.55 0.61 0.06 2.45 7.50 -0.91 -1.52 115.11 123.87 3hni h GLN 103 Ca 0.19 -0.04 -0.36 0.00 0.50 0.00 0.00 58.65 58.94 3hni h GLN 103 Cb 0.03 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 27.38 3hni h GLN 103 CO -0.09 0.41 -2.12 1.17 -1.50 0.00 0.00 178.83 176.69 3hni n LYS 104 N -4.51 0.71 -0.00 1.46 4.81 -0.99 -4.74 118.16 114.89 3hni n LYS 104 Ca 0.14 0.21 0.01 0.00 -0.87 0.00 0.00 58.31 57.81 3hni n LYS 104 Cb 0.41 -1.66 -0.01 0.00 0.02 0.00 0.00 35.03 33.79 3hni n LYS 104 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hni n TYR 105 N -3.30 0.00 1.65 5.64 4.02 0.77 -5.11 117.16 120.83 3hni n TYR 105 Ca -0.34 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.70 3hni n TYR 105 Cb 1.04 -0.02 0.65 0.00 -0.02 0.00 0.00 39.34 40.99 3hni n TYR 105 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39