#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p2t s ARG 4 N 0.00 3.85 -0.36 -0.67 0.52 -1.26 -5.05 118.95 115.98 2p2t s ARG 4 Ca 0.00 0.56 -0.10 0.00 -0.52 0.00 0.00 55.73 55.67 2p2t s ARG 4 Cb 0.00 -2.38 0.03 0.00 0.52 0.00 0.00 34.95 33.12 2p2t s ARG 4 CO 0.00 -0.01 0.18 0.21 0.02 0.00 0.00 175.30 175.70 2p2t s LYS 5 N -3.65 2.83 -0.30 3.54 2.20 -1.26 -4.75 119.74 118.35 2p2t s LYS 5 Ca 0.53 -1.07 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 2p2t s LYS 5 Cb -0.10 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.59 2p2t s LYS 5 CO 0.28 -0.66 1.08 0.00 -0.36 0.00 0.00 175.35 175.69 2p2t s ALA 6 N 1.52 3.53 -0.15 3.13 0.00 -1.26 -2.48 121.76 126.04 2p2t s ALA 6 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2p2t s ALA 6 Cb -0.19 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.29 2p2t s ALA 6 CO 0.06 -1.42 -0.17 0.08 0.00 0.00 0.00 175.76 174.31 2p2t s VAL 7 N 3.61 1.74 -0.13 0.00 1.01 -0.01 -4.98 120.40 121.64 2p2t s VAL 7 Ca 0.46 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 2p2t s VAL 7 Cb -0.13 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2p2t s VAL 7 CO 0.14 0.49 0.48 -0.63 0.00 0.00 0.00 175.10 175.58 2p2t s ILE 8 N 1.34 5.18 -0.17 2.22 1.01 -1.26 -0.32 121.20 129.19 2p2t s ILE 8 Ca 0.03 0.95 0.05 0.00 0.00 0.00 0.00 60.65 61.68 2p2t s ILE 8 Cb -0.13 -3.82 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 2p2t s ILE 8 CO -0.10 0.31 -0.10 0.29 0.00 0.00 0.00 174.94 175.34 2p2t n LYS 9 N 3.80 0.80 -3.67 2.79 4.76 -0.77 -4.97 118.16 120.91 2p2t n LYS 9 Ca -0.07 0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 2p2t n LYS 9 Cb 0.51 -1.37 -0.09 0.00 -1.84 0.00 0.00 35.03 32.25 2p2t n LYS 9 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2p2t s ASN 10 N -5.49 -0.69 -0.03 4.39 2.47 -1.08 -5.05 114.94 109.45 2p2t s ASN 10 Ca -0.20 1.17 -0.02 0.00 0.42 0.00 0.00 52.86 54.24 2p2t s ASN 10 Cb 0.06 1.14 0.02 0.00 -1.45 0.00 0.00 41.25 41.02 2p2t s ASN 10 CO 0.47 -0.22 0.07 0.00 -3.72 0.00 0.00 177.10 173.70 2p2t s ALA 11 N 1.70 -0.13 -0.41 1.71 0.00 -1.26 -1.67 121.76 121.69 2p2t s ALA 11 Ca -0.09 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.17 2p2t s ALA 11 Cb -0.08 -0.18 0.14 0.00 0.00 0.00 0.00 23.12 23.00 2p2t s ALA 11 CO -0.16 -0.06 0.25 0.34 0.00 0.00 0.00 175.76 176.13 2p2t s ASP 12 N 0.41 3.14 -0.28 0.00 2.15 0.13 -5.03 116.67 117.19 2p2t s ASP 12 Ca -0.03 -2.57 -0.26 0.00 0.43 0.00 0.00 52.55 50.12 2p2t s ASP 12 Cb -0.05 -0.73 0.17 0.00 -0.30 0.00 0.00 42.92 42.01 2p2t s ASP 12 CO -0.01 -0.26 1.28 -0.32 -0.17 0.00 0.00 175.17 175.69 2p2t s MET 13 N 0.51 0.23 0.17 4.34 1.75 -1.26 -1.89 119.30 123.15 2p2t s MET 13 Ca 0.20 0.23 -0.32 0.00 -1.25 0.00 0.00 55.69 54.56 2p2t s MET 13 Cb -0.19 0.11 -0.17 0.00 2.84 0.00 0.00 34.83 37.42 2p2t s MET 13 CO -0.03 -0.03 0.92 0.45 -0.65 0.00 0.00 175.02 175.67 2p2t n SER 14 N 1.64 0.25 0.32 1.11 2.88 -1.26 -4.79 113.62 113.77 2p2t n SER 14 Ca -0.10 1.15 0.20 0.00 -1.33 0.00 0.00 58.87 58.79 2p2t n SER 14 Cb 0.57 -1.09 1.08 0.00 -0.75 0.00 0.00 64.21 64.02 2p2t n SER 14 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2p2t h GLU 15 N 2.34 0.00 0.11 -1.46 3.07 -2.00 -1.72 114.58 114.92 2p2t h GLU 15 Ca -0.39 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.27 2p2t h GLU 15 Cb 1.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.31 2p2t h GLU 15 CO 0.64 0.00 -0.94 1.49 -1.40 0.00 0.00 179.01 178.80 2p2t h GLU 16 N 0.00 0.24 0.00 2.33 4.81 -2.00 -3.23 114.58 116.72 2p2t h GLU 16 Ca 0.01 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2p2t h GLU 16 Cb 0.15 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 2p2t h GLU 16 CO -0.00 1.19 -0.01 0.52 -0.73 0.00 0.00 179.01 179.98 2p2t h MET 17 N -0.45 0.00 0.51 1.92 2.86 -1.68 -1.11 114.93 116.99 2p2t h MET 17 Ca -0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 2p2t h MET 17 Cb 1.60 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.26 2p2t h MET 17 CO 0.09 0.01 -0.25 1.96 1.06 0.00 0.00 176.91 179.78 2p2t h GLN 18 N 0.00 -0.66 -0.16 1.72 4.20 -1.48 0.25 115.11 118.97 2p2t h GLN 18 Ca -0.00 0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2p2t h GLN 18 Cb 0.06 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2p2t h GLN 18 CO 0.00 -0.44 0.30 0.37 -0.67 0.00 0.00 178.83 178.39 2p2t h GLN 19 N -1.17 0.00 0.02 1.46 5.75 -1.51 0.17 115.11 119.83 2p2t h GLN 19 Ca -0.07 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.27 2p2t h GLN 19 Cb 0.53 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.09 2p2t h GLN 19 CO 0.12 0.00 -0.65 0.22 -2.65 0.00 0.00 178.83 175.86 2p2t h ASP 20 N 0.00 0.54 -0.37 -0.69 3.58 -1.04 -2.44 116.42 115.99 2p2t h ASP 20 Ca 0.08 -0.79 -0.03 0.00 0.42 0.00 0.00 57.03 56.71 2p2t h ASP 20 Cb 0.68 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2p2t h ASP 20 CO -0.00 1.26 0.15 0.00 -2.88 0.00 0.00 179.24 177.76 2p2t h ALA 21 N 0.29 1.45 -0.41 -0.78 0.00 0.23 -1.38 119.26 118.66 2p2t h ALA 21 Ca -0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2p2t h ALA 21 Cb 1.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2p2t h ALA 21 CO 0.13 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 180.05 2p2t h VAL 22 N 0.62 1.26 -0.10 0.00 2.07 -1.10 -2.39 116.25 116.61 2p2t h VAL 22 Ca 0.15 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.64 2p2t h VAL 22 Cb 0.17 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2p2t h VAL 22 CO -0.01 0.36 -0.11 0.44 0.02 0.00 0.00 177.57 178.27 2p2t h ASP 23 N 0.56 -0.34 -0.17 0.57 3.32 -0.89 0.47 116.42 119.94 2p2t h ASP 23 Ca 0.11 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2p2t h ASP 23 Cb 0.51 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2p2t h ASP 23 CO 0.03 -0.15 0.07 0.00 -1.72 0.00 0.00 179.24 177.46 2p2t h ALA 25 N 1.77 -0.09 -0.68 0.00 0.00 -0.98 -2.46 119.26 116.82 2p2t h ALA 25 Ca 0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2p2t h ALA 25 Cb 0.10 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2p2t h ALA 25 CO -0.01 0.59 0.26 1.15 0.00 0.00 0.00 179.25 181.24 2p2t h THR 26 N 0.04 1.24 -0.43 0.00 2.02 0.45 0.34 112.91 116.57 2p2t h THR 26 Ca -0.20 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 2p2t h THR 26 Cb 1.91 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2p2t h THR 26 CO 0.23 0.30 -0.10 1.56 0.37 0.00 0.00 175.52 177.88 2p2t h GLN 27 N 0.98 0.75 -0.19 6.66 4.20 -1.17 -1.52 115.11 124.83 2p2t h GLN 27 Ca 0.23 -0.24 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 2p2t h GLN 27 Cb 0.21 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2p2t h GLN 27 CO -0.02 0.83 -0.43 0.00 -0.67 0.00 0.00 178.83 178.55 2p2t h ALA 28 N 1.20 0.91 -0.06 3.87 0.00 -0.65 -0.96 119.26 123.58 2p2t h ALA 28 Ca 0.12 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 2p2t h ALA 28 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2p2t h ALA 28 CO 0.04 0.64 -0.82 -0.07 0.00 0.00 0.00 179.25 179.03 2p2t h LEU 29 N 0.37 0.55 -0.71 0.00 3.38 -0.25 -0.48 115.31 118.18 2p2t h LEU 29 Ca 0.03 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 2p2t h LEU 29 Cb 0.90 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2p2t h LEU 29 CO 0.08 1.16 -0.08 -0.33 0.09 0.00 0.00 178.44 179.36 2p2t h GLU 30 N 0.29 0.91 0.00 1.13 5.08 -1.06 -3.36 114.58 117.57 2p2t h GLU 30 Ca -0.05 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2p2t h GLU 30 Cb 1.42 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2p2t h GLU 30 CO 0.14 0.96 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.87 2p2t h LYS 31 N 0.82 0.00 -6.63 2.33 3.64 -1.09 -3.48 116.57 112.16 2p2t h LYS 31 Ca 0.14 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 59.06 2p2t h LYS 31 Cb 0.60 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2p2t h LYS 31 CO 0.04 0.03 -0.14 0.71 -2.27 0.00 0.00 179.45 177.81 2p2t s TYR 32 N -1.59 3.18 -0.03 1.91 2.02 -0.20 -5.06 117.35 117.59 2p2t s TYR 32 Ca -0.01 0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 2p2t s TYR 32 Cb 0.00 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 2p2t s TYR 32 CO 0.03 -0.31 -0.03 0.09 -1.57 0.00 0.00 175.55 173.75 2p2t n ASN 33 N -2.00 1.29 -4.76 2.29 5.03 -1.26 -4.61 115.26 111.24 2p2t n ASN 33 Ca 0.01 0.02 -0.41 0.00 0.87 0.00 0.00 54.58 55.07 2p2t n ASN 33 Cb 0.58 -0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 39.25 2p2t n ASN 33 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2p2t s ILE 34 N -2.05 2.71 0.28 2.41 -1.09 -1.26 -4.90 121.20 117.30 2p2t s ILE 34 Ca -0.04 0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 59.06 2p2t s ILE 34 Cb 0.01 -3.43 0.15 0.00 -1.58 0.00 0.00 42.46 37.61 2p2t s ILE 34 CO 0.05 0.15 1.83 -0.33 -1.23 0.00 0.00 174.94 175.41 2p2t h GLU 35 N 3.82 0.81 -1.00 2.79 5.08 -1.96 -0.94 114.58 123.18 2p2t h GLU 35 Ca -0.48 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 57.77 2p2t h GLU 35 Cb 1.22 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 2p2t h GLU 35 CO 0.69 0.73 0.65 -0.22 -1.00 0.00 0.00 179.01 179.86 2p2t h LYS 36 N 0.78 1.17 0.08 2.33 3.64 -1.92 -1.51 116.57 121.14 2p2t h LYS 36 Ca 0.17 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2p2t h LYS 36 Cb 0.30 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2p2t h LYS 36 CO -0.00 0.77 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.48 2p2t h ASP 37 N 1.21 -0.09 -0.85 4.20 3.32 -1.59 -2.37 116.42 120.24 2p2t h ASP 37 Ca 0.42 -0.51 0.22 0.00 0.02 0.00 0.00 57.03 57.18 2p2t h ASP 37 Cb 0.11 0.02 -0.15 0.00 0.22 0.00 0.00 39.33 39.53 2p2t h ASP 37 CO -0.16 0.52 0.10 0.40 -1.72 0.00 0.00 179.24 178.39 2p2t h ILE 38 N -0.76 0.26 -0.62 0.35 2.04 -1.29 -1.53 117.51 115.96 2p2t h ILE 38 Ca -0.01 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2p2t h ILE 38 Cb 0.59 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2p2t h ILE 38 CO 0.02 0.02 0.12 0.00 0.00 0.00 0.00 178.15 178.31 2p2t h ALA 39 N 1.80 1.04 -0.40 1.87 0.00 -1.12 -2.84 119.26 119.60 2p2t h ALA 39 Ca 0.51 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 2p2t h ALA 39 Cb 0.98 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2p2t h ALA 39 CO -0.72 0.62 -0.24 0.00 0.00 0.00 0.00 179.25 178.92 2p2t h ALA 40 N 1.18 0.83 -0.32 0.00 0.00 -0.76 -1.48 119.26 118.71 2p2t h ALA 40 Ca 0.20 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2p2t h ALA 40 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2p2t h ALA 40 CO 0.01 0.64 0.14 -0.92 0.00 0.00 0.00 179.25 179.11 2p2t h TYR 41 N 0.70 0.25 -0.27 0.00 3.20 -1.20 0.74 116.97 120.39 2p2t h TYR 41 Ca 0.09 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 2p2t h TYR 41 Cb 0.76 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2p2t h TYR 41 CO 0.04 0.13 -0.14 0.82 -1.64 0.00 0.00 178.16 177.36 2p2t h ILE 42 N 0.29 1.30 -0.08 1.81 2.04 -1.43 -1.70 117.51 119.74 2p2t h ILE 42 Ca 0.14 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.78 2p2t h ILE 42 Cb 0.08 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2p2t h ILE 42 CO -0.12 0.39 -0.03 0.50 0.00 0.00 0.00 178.15 178.89 2p2t h LYS 43 N 0.31 -0.02 -0.51 2.37 3.11 -1.00 -1.90 116.57 118.92 2p2t h LYS 43 Ca 0.06 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.81 2p2t h LYS 43 Cb 0.66 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.88 2p2t h LYS 43 CO 0.04 -0.01 -0.06 0.87 -2.81 0.00 0.00 179.45 177.48 2p2t h LYS 44 N -0.02 0.92 -0.61 1.90 1.57 -0.75 -1.14 116.57 118.42 2p2t h LYS 44 Ca 0.04 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 2p2t h LYS 44 Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2p2t h LYS 44 CO -0.09 0.94 0.17 1.49 -0.57 0.00 0.00 179.45 181.39 2p2t h GLU 45 N 0.83 0.97 -0.13 3.15 4.81 -1.04 -1.35 114.58 121.82 2p2t h GLU 45 Ca 0.14 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 2p2t h GLU 45 Cb 0.58 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2p2t h GLU 45 CO 0.03 0.87 -0.59 0.74 -0.73 0.00 0.00 179.01 179.34 2p2t h PHE 46 N 0.88 0.52 -0.46 0.92 -1.00 -1.04 0.52 116.94 117.29 2p2t h PHE 46 Ca 0.19 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2p2t h PHE 46 Cb 0.32 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 2p2t h PHE 46 CO 0.02 0.90 0.27 -0.44 -1.61 0.00 0.00 178.31 177.45 2p2t h ASP 47 N 0.31 0.55 0.32 2.17 5.19 -1.03 -2.02 116.42 121.92 2p2t h ASP 47 Ca -0.00 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 2p2t h ASP 47 Cb 1.12 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2p2t h ASP 47 CO 0.10 0.43 -0.16 0.50 -3.12 0.00 0.00 179.24 177.00 2p2t h LYS 48 N 0.64 -0.42 0.00 3.56 3.64 -0.68 -3.29 116.57 120.02 2p2t h LYS 48 Ca 0.17 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2p2t h LYS 48 Cb -0.01 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2p2t h LYS 48 CO -0.03 -0.28 0.00 1.63 -2.27 0.00 0.00 179.45 178.50 2p2t n LYS 49 N -4.39 0.00 -2.59 1.90 5.02 0.12 -4.68 118.16 113.54 2p2t n LYS 49 Ca -0.05 0.37 -0.30 0.00 -2.02 0.00 0.00 58.31 56.30 2p2t n LYS 49 Cb 0.17 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 2p2t n LYS 49 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2p2t s TYR 50 N -2.27 3.51 0.94 2.13 1.51 -0.76 -5.05 117.35 117.36 2p2t s TYR 50 Ca 0.00 1.11 -0.13 0.00 -1.01 0.00 0.00 57.07 57.04 2p2t s TYR 50 Cb 0.00 -2.52 0.16 0.00 -0.11 0.00 0.00 41.96 39.49 2p2t s TYR 50 CO 0.00 -0.27 1.14 -0.80 -1.11 0.00 0.00 175.55 174.51 2p2t s ASN 51 N -3.46 3.22 0.72 2.29 0.02 -1.26 -3.68 114.94 112.79 2p2t s ASN 51 Ca 0.52 0.92 -0.17 0.00 -1.02 0.00 0.00 52.86 53.12 2p2t s ASN 51 Cb -0.10 -1.45 -0.09 0.00 0.02 0.00 0.00 41.25 39.62 2p2t s ASN 51 CO 0.37 -2.73 0.04 -0.81 0.02 0.00 0.00 177.10 173.99 2p2t n PRO 52 N -3.88 0.13 -3.78 -0.60 -0.04 -1.24 -4.52 135.00 121.07 2p2t n PRO 52 Ca 0.07 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 2p2t n PRO 52 Cb 0.59 -1.40 -0.16 0.00 -0.04 0.00 0.00 33.50 32.50 2p2t n PRO 52 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2p2t s THR 53 N -1.97 0.84 0.38 0.52 2.01 -1.25 -4.95 115.64 111.23 2p2t s THR 53 Ca 0.57 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 2p2t s THR 53 Cb -0.36 -1.36 -0.07 0.00 0.01 0.00 0.00 72.50 70.72 2p2t s THR 53 CO 0.66 -0.29 0.76 0.26 -0.69 0.00 0.00 174.62 175.32 2p2t s TRP 54 N 1.69 3.44 0.00 4.92 0.52 -1.26 -2.26 118.94 125.99 2p2t s TRP 54 Ca 0.00 1.11 0.02 0.00 0.02 0.00 0.00 56.10 57.25 2p2t s TRP 54 Cb -0.18 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.66 2p2t s TRP 54 CO -0.11 -0.05 -0.07 -1.01 0.02 0.00 0.00 176.95 175.73 2p2t s HIS 55 N -2.26 0.58 -0.02 -1.98 3.76 -0.60 -4.96 115.29 109.80 2p2t s HIS 55 Ca 0.52 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.27 2p2t s HIS 55 Cb -0.10 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.23 2p2t s HIS 55 CO 0.27 -0.02 -0.03 0.00 -0.85 0.00 0.00 174.74 174.11 2p2t s ILE 57 N 0.46 2.04 -0.11 0.00 -1.09 -0.06 -4.89 121.20 117.54 2p2t s ILE 57 Ca -0.05 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.36 2p2t s ILE 57 Cb -0.08 -1.76 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 2p2t s ILE 57 CO -0.01 0.56 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.45 2p2t s VAL 58 N 0.21 1.33 0.03 2.92 1.01 -1.26 -1.24 120.40 123.39 2p2t s VAL 58 Ca -0.15 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 2p2t s VAL 58 Cb -0.17 -1.25 0.10 0.00 0.00 0.00 0.00 36.38 35.06 2p2t s VAL 58 CO 0.07 0.41 1.23 -0.83 0.00 0.00 0.00 175.10 175.98 2p2t s GLY 59 N 1.23 -0.24 -0.02 4.51 0.00 -0.89 -4.72 107.32 107.18 2p2t s GLY 59 Ca -0.02 0.31 0.20 0.00 0.00 0.00 0.00 44.72 45.21 2p2t s GLY 59 CO -0.04 2.04 0.58 0.54 0.00 0.00 0.00 173.10 176.22 2p2t n ARG 60 N -0.64 0.60 -3.38 2.90 1.74 -1.26 -0.49 116.66 116.13 2p2t n ARG 60 Ca -0.04 -0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.79 2p2t n ARG 60 Cb 0.61 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.51 2p2t n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2p2t s ASN 61 N -3.78 0.97 -0.06 0.55 3.84 -1.26 -4.93 114.94 110.27 2p2t s ASN 61 Ca -0.02 -0.33 -0.29 0.00 0.21 0.00 0.00 52.86 52.43 2p2t s ASN 61 Cb 0.13 0.78 0.10 0.00 -0.55 0.00 0.00 41.25 41.72 2p2t s ASN 61 CO 0.82 -0.35 0.87 0.72 -2.79 0.00 0.00 177.10 176.37 2p2t s PHE 62 N 2.45 -0.44 0.11 0.43 -0.71 -1.26 -5.16 117.98 113.39 2p2t s PHE 62 Ca 0.10 0.58 0.08 0.00 -1.04 0.00 0.00 56.93 56.65 2p2t s PHE 62 Cb -0.14 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 2p2t s PHE 62 CO -0.25 -0.50 -0.15 0.20 -1.34 0.00 0.00 175.22 173.18 2p2t s GLY 63 N -1.68 1.72 0.11 1.99 0.00 -1.26 -5.14 107.32 103.06 2p2t s GLY 63 Ca -0.01 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.45 2p2t s GLY 63 CO -0.01 -1.28 -0.11 -1.35 0.00 0.00 0.00 173.10 170.35 2p2t s SER 64 N -2.11 1.65 -0.28 1.64 1.04 -1.26 -5.10 113.70 109.28 2p2t s SER 64 Ca 0.19 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 2p2t s SER 64 Cb -0.11 -0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.11 2p2t s SER 64 CO 0.11 -0.23 0.23 -0.47 0.98 0.00 0.00 173.24 173.86 2p2t s TYR 65 N -2.43 -0.18 0.35 5.02 5.04 -1.26 -5.15 117.35 118.73 2p2t s TYR 65 Ca 0.07 -0.35 0.06 0.00 -2.44 0.00 0.00 57.07 54.42 2p2t s TYR 65 Cb -0.03 -0.59 -0.07 0.00 0.35 0.00 0.00 41.96 41.62 2p2t s TYR 65 CO 0.01 -0.85 0.01 0.14 -1.34 0.00 0.00 175.55 173.52 2p2t s VAL 66 N 2.27 1.62 -0.10 3.14 -7.23 -1.26 -5.14 120.40 113.70 2p2t s VAL 66 Ca 0.09 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2p2t s VAL 66 Cb -0.15 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 2p2t s VAL 66 CO -0.31 -0.07 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.31 2p2t s THR 67 N -3.00 2.36 0.05 5.32 2.01 -1.26 -5.14 115.64 115.99 2p2t s THR 67 Ca 0.34 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.47 2p2t s THR 67 Cb 0.08 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 2p2t s THR 67 CO 0.16 0.55 -0.13 -1.38 -0.69 0.00 0.00 174.62 173.13 2p2t s HIS 68 N 0.23 1.16 0.37 4.92 -3.43 -1.26 -4.60 115.29 112.69 2p2t s HIS 68 Ca -0.14 -0.41 -0.28 0.00 -0.80 0.00 0.00 55.06 53.44 2p2t s HIS 68 Cb -0.17 -0.67 -0.11 0.00 -1.43 0.00 0.00 32.58 30.20 2p2t s HIS 68 CO 0.07 0.04 1.48 -1.21 -2.00 0.00 0.00 174.74 173.12 2p2t s GLU 69 N -1.43 4.12 0.18 -0.38 2.02 0.16 -4.88 118.70 118.49 2p2t s GLU 69 Ca -0.01 2.56 -0.33 0.00 0.02 0.00 0.00 54.97 57.21 2p2t s GLU 69 Cb -0.09 -2.97 -0.15 0.00 0.10 0.00 0.00 34.13 31.02 2p2t s GLU 69 CO 0.02 -0.52 1.36 -2.37 0.02 0.00 0.00 175.26 173.77 2p2t n THR 70 N 0.50 0.62 -1.02 3.63 5.66 -1.26 -1.87 114.28 120.54 2p2t n THR 70 Ca 0.01 -0.16 -0.01 0.00 -3.05 0.00 0.00 64.05 60.85 2p2t n THR 70 Cb 0.39 -1.22 -0.00 0.00 -1.55 0.00 0.00 70.33 67.95 2p2t n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2p2t n ARG 71 N 2.28 -0.22 -2.91 1.09 5.12 -1.24 -4.93 116.66 115.85 2p2t n ARG 71 Ca 0.14 0.22 -0.20 0.00 -1.93 0.00 0.00 57.85 56.09 2p2t n ARG 71 Cb 0.27 -3.54 -0.02 0.00 -1.16 0.00 0.00 32.46 28.02 2p2t n ARG 71 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2p2t n HIS 72 N -2.90 1.83 -3.66 -1.55 8.25 -0.78 -4.08 115.22 112.33 2p2t n HIS 72 Ca -0.01 -3.54 -0.07 0.00 -0.26 0.00 0.00 57.72 53.84 2p2t n HIS 72 Cb 0.07 -0.38 -0.08 0.00 1.12 0.00 0.00 29.99 30.71 2p2t n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2p2t s PHE 73 N -3.00 -0.91 0.02 4.41 5.36 -0.79 -0.91 117.98 122.16 2p2t s PHE 73 Ca 0.41 1.73 -0.01 0.00 -0.96 0.00 0.00 56.93 58.09 2p2t s PHE 73 Cb 0.36 0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 43.47 2p2t s PHE 73 CO -0.08 -0.50 -0.00 -1.50 -1.46 0.00 0.00 175.22 171.68 2p2t s ILE 74 N 2.25 0.12 -0.11 3.12 2.07 -0.34 -0.69 121.20 127.61 2p2t s ILE 74 Ca -0.06 -0.97 -0.04 0.00 -1.41 0.00 0.00 60.65 58.17 2p2t s ILE 74 Cb -0.10 -0.42 0.05 0.00 0.13 0.00 0.00 42.46 42.12 2p2t s ILE 74 CO -0.15 -0.53 0.22 -0.47 -1.91 0.00 0.00 174.94 172.10 2p2t s TYR 75 N -1.72 -0.32 0.20 3.50 5.04 -0.67 -0.78 117.35 122.60 2p2t s TYR 75 Ca -0.13 0.80 -0.22 0.00 -2.44 0.00 0.00 57.07 55.08 2p2t s TYR 75 Cb -0.08 -0.08 0.05 0.00 0.35 0.00 0.00 41.96 42.20 2p2t s TYR 75 CO -0.02 -0.29 0.64 -0.59 -1.34 0.00 0.00 175.55 173.95 2p2t s PHE 76 N 2.05 -0.42 -0.13 4.97 -0.71 -0.16 -1.84 117.98 121.75 2p2t s PHE 76 Ca -0.01 0.12 -0.05 0.00 -1.04 0.00 0.00 56.93 55.94 2p2t s PHE 76 Cb -0.12 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 2p2t s PHE 76 CO -0.08 -0.99 0.07 0.71 -1.34 0.00 0.00 175.22 173.60 2p2t s TYR 77 N -3.81 3.35 -0.33 3.49 2.02 0.56 0.68 117.35 123.32 2p2t s TYR 77 Ca 0.05 0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 57.01 2p2t s TYR 77 Cb -0.03 -1.93 0.06 0.00 -0.40 0.00 0.00 41.96 39.66 2p2t s TYR 77 CO -0.06 0.48 0.07 -1.17 -1.57 0.00 0.00 175.55 173.30 2p2t s LEU 78 N -0.59 4.27 0.00 -1.29 2.96 -0.02 -0.83 118.68 123.18 2p2t s LEU 78 Ca 0.11 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 52.62 2p2t s LEU 78 Cb -0.12 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.80 2p2t s LEU 78 CO 0.02 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 2p2t n GLY 79 N 4.66 3.15 0.00 7.98 0.00 -1.04 -2.50 105.19 117.44 2p2t n GLY 79 Ca -0.11 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2p2t n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2p2t n GLN 80 N 8.73 2.51 -2.76 1.61 6.02 -1.26 -4.87 117.38 127.36 2p2t n GLN 80 Ca 0.00 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.59 2p2t n GLN 80 Cb 0.00 -1.11 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 2p2t n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2p2t s VAL 81 N -2.28 4.14 0.12 5.09 0.11 -1.04 -4.69 120.40 121.85 2p2t s VAL 81 Ca 0.03 1.94 0.08 0.00 -2.93 0.00 0.00 61.98 61.10 2p2t s VAL 81 Cb 0.09 -4.15 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 2p2t s VAL 81 CO 0.50 0.30 -0.13 0.00 -3.33 0.00 0.00 175.10 172.44 2p2t s ALA 82 N -1.42 2.84 -0.04 1.54 0.00 0.36 -0.84 121.76 124.21 2p2t s ALA 82 Ca 0.46 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2p2t s ALA 82 Cb -0.22 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2p2t s ALA 82 CO 0.27 0.60 -0.04 0.42 0.00 0.00 0.00 175.76 177.02 2p2t s ILE 83 N -1.24 0.45 -0.12 0.00 1.01 0.21 -2.10 121.20 119.41 2p2t s ILE 83 Ca 0.20 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.79 2p2t s ILE 83 Cb -0.11 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.89 2p2t s ILE 83 CO 0.12 0.20 -0.22 -0.22 0.00 0.00 0.00 174.94 174.82 2p2t s LEU 84 N 0.81 2.08 -0.22 2.97 2.96 -0.37 -0.98 118.68 125.93 2p2t s LEU 84 Ca -0.10 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 2p2t s LEU 84 Cb -0.13 -1.41 0.08 0.00 0.50 0.00 0.00 46.19 45.23 2p2t s LEU 84 CO -0.00 0.10 0.14 -0.22 -1.32 0.00 0.00 176.35 175.05 2p2t s LEU 85 N 0.67 0.25 0.19 -0.68 2.96 0.04 -0.88 118.68 121.23 2p2t s LEU 85 Ca -0.11 -0.70 0.03 0.00 -0.22 0.00 0.00 54.13 53.13 2p2t s LEU 85 Cb -0.16 -0.07 -0.05 0.00 0.50 0.00 0.00 46.19 46.41 2p2t s LEU 85 CO 0.02 -0.37 -0.00 0.72 -1.32 0.00 0.00 176.35 175.39 2p2t s PHE 86 N 2.19 1.35 -0.26 5.38 -0.71 -0.91 -1.20 117.98 123.82 2p2t s PHE 86 Ca 0.05 -0.97 0.01 0.00 -1.04 0.00 0.00 56.93 54.98 2p2t s PHE 86 Cb -0.16 -0.77 0.05 0.00 -1.21 0.00 0.00 43.02 40.93 2p2t s PHE 86 CO -0.18 -0.13 -0.09 0.21 -1.34 0.00 0.00 175.22 173.69 2p2t s LYS 87 N -3.89 2.49 -0.18 1.99 2.20 -0.09 -1.56 119.74 120.70 2p2t s LYS 87 Ca 0.25 -1.20 -0.04 0.00 -0.36 0.00 0.00 55.97 54.63 2p2t s LYS 87 Cb 0.06 -2.93 0.09 0.00 -1.51 0.00 0.00 37.83 33.54 2p2t s LYS 87 CO 0.06 -0.50 0.25 0.45 -0.36 0.00 0.00 175.35 175.24 2p2t s SER 88 N 1.20 0.95 0.00 1.43 0.15 -0.96 0.36 113.70 116.83 2p2t s SER 88 Ca -0.05 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2p2t s SER 88 Cb -0.18 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2p2t s SER 88 CO -0.05 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.70