#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dim h SER 2 N 0.00 -0.14 -3.43 1.61 0.02 -2.11 -3.47 113.55 106.02 2dim h SER 2 Ca 0.00 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2dim h SER 2 Cb 0.00 0.04 -0.23 0.00 0.14 0.00 0.00 62.40 62.35 2dim h SER 2 CO 0.00 0.45 0.22 -0.44 -1.14 0.00 0.00 176.83 175.92 2dim s SER 3 N -5.57 -0.69 -0.81 3.07 0.01 -1.26 -5.07 113.70 103.38 2dim s SER 3 Ca -0.13 1.25 0.01 0.00 1.31 0.00 0.00 55.95 58.39 2dim s SER 3 Cb 0.00 1.27 0.34 0.00 0.21 0.00 0.00 66.02 67.84 2dim s SER 3 CO 0.48 -0.21 1.53 0.61 0.41 0.00 0.00 173.24 176.06 2dim n GLY 4 N 3.01 5.88 3.07 3.44 0.00 -1.26 -4.96 105.19 114.37 2dim n GLY 4 Ca -0.15 -2.65 -0.32 0.00 0.00 0.00 0.00 46.02 42.90 2dim n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dim s SER 5 N -2.15 4.11 0.07 1.61 0.01 -1.26 -5.03 113.70 111.06 2dim s SER 5 Ca 0.45 -1.22 -0.20 0.00 1.31 0.00 0.00 55.95 56.29 2dim s SER 5 Cb 0.28 -1.49 -0.08 0.00 0.21 0.00 0.00 66.02 64.94 2dim s SER 5 CO -0.18 -0.16 1.33 -1.28 0.41 0.00 0.00 173.24 173.36 2dim h SER 6 N 7.82 -1.04 0.00 2.44 0.87 -1.92 -3.47 113.55 118.25 2dim h SER 6 Ca -0.24 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2dim h SER 6 Cb 1.06 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2dim h SER 6 CO 0.49 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.12 2dim n GLY 7 N -1.25 2.66 3.19 5.77 0.00 -1.26 -5.07 105.19 109.23 2dim n GLY 7 Ca -0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 2dim n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dim s LYS 8 N 0.00 1.03 -0.08 1.61 -0.14 -1.26 -5.07 119.74 115.82 2dim s LYS 8 Ca 0.00 -1.50 0.05 0.00 -1.36 0.00 0.00 55.97 53.16 2dim s LYS 8 Cb 0.00 0.02 -0.08 0.00 -1.68 0.00 0.00 37.83 36.09 2dim s LYS 8 CO 0.00 -0.22 -0.01 0.41 -0.76 0.00 0.00 175.35 174.77 2dim n GLY 9 N -0.17 -0.29 0.30 -3.33 0.00 -1.26 -4.72 105.19 95.72 2dim n GLY 9 Ca -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2dim n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dim n GLY 10 N 2.71 -1.71 3.76 -0.02 0.00 -1.26 -4.35 105.19 104.32 2dim n GLY 10 Ca -0.14 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.36 2dim n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dim s VAL 11 N -5.59 2.35 0.29 1.61 0.11 -1.26 -5.01 120.40 112.89 2dim s VAL 11 Ca -0.10 0.29 -0.03 0.00 -2.93 0.00 0.00 61.98 59.22 2dim s VAL 11 Cb 0.13 -3.16 -0.01 0.00 -1.53 0.00 0.00 36.38 31.80 2dim s VAL 11 CO 0.51 0.03 0.36 0.26 -3.33 0.00 0.00 175.10 172.93 2dim s TRP 12 N -1.28 1.07 0.05 1.54 0.52 -1.26 -5.08 118.94 114.50 2dim s TRP 12 Ca 0.62 -1.27 0.07 0.00 0.02 0.00 0.00 56.10 55.54 2dim s TRP 12 Cb -0.40 -0.25 -0.03 0.00 -1.15 0.00 0.00 33.47 31.65 2dim s TRP 12 CO 0.50 -0.95 -0.18 1.03 0.02 0.00 0.00 176.95 177.37 2dim s ARG 13 N -3.57 1.16 0.28 4.98 1.81 -1.26 -5.03 118.95 117.32 2dim s ARG 13 Ca 0.33 -0.93 -0.02 0.00 -1.72 0.00 0.00 55.73 53.39 2dim s ARG 13 Cb 0.02 -1.27 0.61 0.00 -0.45 0.00 0.00 34.95 33.86 2dim s ARG 13 CO 0.17 0.31 1.60 -2.95 -0.68 0.00 0.00 175.30 173.75 2dim h ASN 14 N 4.70 -0.46 0.09 0.23 -1.07 -2.02 0.18 115.58 117.24 2dim h ASN 14 Ca -0.42 0.25 0.00 0.00 0.07 0.00 0.00 56.30 56.21 2dim h ASN 14 Cb 1.17 0.44 -0.01 0.00 -2.07 0.00 0.00 38.32 37.85 2dim h ASN 14 CO 0.43 -0.28 -0.10 0.71 0.07 0.00 0.00 177.43 178.26 2dim h THR 15 N 0.05 0.78 -0.80 6.14 1.35 -1.99 -1.07 112.91 117.37 2dim h THR 15 Ca 0.52 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.49 2dim h THR 15 Cb 1.00 0.78 -0.08 0.00 -1.73 0.00 0.00 68.15 68.12 2dim h THR 15 CO -0.83 0.00 0.43 -0.33 -0.25 0.00 0.00 175.52 174.54 2dim h GLU 16 N -0.21 0.66 -0.30 4.72 5.08 -1.12 0.66 114.58 124.07 2dim h GLU 16 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2dim h GLU 16 Cb 0.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2dim h GLU 16 CO -0.03 0.44 0.13 -0.44 -1.00 0.00 0.00 179.01 178.11 2dim h ASP 17 N 0.68 0.41 0.33 1.42 5.19 -0.75 0.66 116.42 124.36 2dim h ASP 17 Ca 0.41 -0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 2dim h ASP 17 Cb 0.47 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2dim h ASP 17 CO -0.29 0.44 -0.16 -0.33 -3.12 0.00 0.00 179.24 175.78 2dim h GLU 18 N 0.35 -0.42 -0.34 3.56 4.39 -0.30 0.10 114.58 121.92 2dim h GLU 18 Ca 0.10 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.86 2dim h GLU 18 Cb 0.15 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2dim h GLU 18 CO -0.01 -0.23 0.16 0.82 -1.16 0.00 0.00 179.01 178.59 2dim h ILE 19 N -0.52 0.97 0.92 3.13 2.04 -0.87 -2.12 117.51 121.05 2dim h ILE 19 Ca -0.05 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 2dim h ILE 19 Cb 0.39 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2dim h ILE 19 CO 0.07 0.06 -0.44 0.25 0.00 0.00 0.00 178.15 178.09 2dim h LEU 20 N 0.33 -1.05 -0.91 1.44 5.85 -0.78 -0.90 115.31 119.29 2dim h LEU 20 Ca 0.14 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.08 2dim h LEU 20 Cb 0.07 0.27 -0.17 0.00 0.37 0.00 0.00 40.66 41.20 2dim h LEU 20 CO -0.11 -0.74 -0.25 0.11 -0.34 0.00 0.00 178.44 177.11 2dim h LYS 21 N -1.26 -0.01 0.96 1.25 1.57 -0.73 -0.31 116.57 118.05 2dim h LYS 21 Ca -0.13 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2dim h LYS 21 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.27 2dim h LYS 21 CO 0.21 -0.00 -0.46 0.00 -0.57 0.00 0.00 179.45 178.62 2dim h ALA 22 N 1.82 -1.29 -0.83 3.86 0.00 -1.28 -3.12 119.26 118.43 2dim h ALA 22 Ca 0.42 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2dim h ALA 22 Cb 0.65 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 2dim h ALA 22 CO -0.93 -1.22 -0.40 0.00 0.00 0.00 0.00 179.25 176.70 2dim h ALA 23 N -1.27 -0.04 -1.23 0.00 0.00 0.21 0.75 119.26 117.67 2dim h ALA 23 Ca -0.13 0.21 0.37 0.00 0.00 0.00 0.00 54.91 55.35 2dim h ALA 23 Cb 0.99 0.98 -0.10 0.00 0.00 0.00 0.00 17.79 19.66 2dim h ALA 23 CO 0.22 -0.70 0.81 0.28 0.00 0.00 0.00 179.25 179.86 2dim h VAL 24 N -0.08 0.29 0.00 0.00 2.07 -1.07 1.53 116.25 119.00 2dim h VAL 24 Ca 0.27 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.58 2dim h VAL 24 Cb 0.56 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2dim h VAL 24 CO -0.86 0.03 -0.72 0.24 0.02 0.00 0.00 177.57 176.29 2dim h MET 25 N 0.18 0.00 0.00 1.57 2.86 0.54 0.96 114.93 121.05 2dim h MET 25 Ca 0.72 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 2dim h MET 25 Cb 2.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.87 2dim h MET 25 CO -0.31 0.72 -0.12 -0.22 1.06 0.00 0.00 176.91 178.03 2dim h LYS 26 N 0.00 0.00 -0.08 1.72 3.11 0.27 -3.39 116.57 118.21 2dim h LYS 26 Ca -0.01 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 2dim h LYS 26 Cb 1.45 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.68 2dim h LYS 26 CO 0.09 0.00 -0.74 1.88 -2.81 0.00 0.00 179.45 177.88 2dim h TYR 27 N -0.61 0.55 0.00 1.91 -1.99 -0.34 -3.50 116.97 112.98 2dim h TYR 27 Ca 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.48 2dim h TYR 27 Cb 0.12 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.77 2dim h TYR 27 CO -0.05 1.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.52 2dim n GLY 28 N 0.57 1.04 1.38 3.88 0.00 0.33 -4.46 105.19 107.92 2dim n GLY 28 Ca -0.04 -2.16 -0.07 0.00 0.00 0.00 0.00 46.02 43.74 2dim n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dim n LYS 29 N -0.08 1.67 0.00 1.61 5.02 -1.24 -3.60 118.16 121.55 2dim n LYS 29 Ca 0.00 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 2dim n LYS 29 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2dim n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dim n ASN 30 N -0.05 3.81 -1.32 4.39 3.02 -1.26 -4.71 115.26 119.14 2dim n ASN 30 Ca 0.20 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.69 2dim n ASN 30 Cb 0.88 0.38 0.04 0.00 -0.61 0.00 0.00 39.78 40.47 2dim n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dim n GLN 31 N -1.66 1.32 -0.34 3.52 1.13 -1.24 -4.46 117.38 115.65 2dim n GLN 31 Ca 0.00 -0.76 0.23 0.00 -1.94 0.00 0.00 57.00 54.52 2dim n GLN 31 Cb 0.38 -1.30 0.48 0.00 0.11 0.00 0.00 30.24 29.92 2dim n GLN 31 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2dim h TRP 32 N 0.29 0.78 0.08 1.08 -0.00 -1.84 0.11 115.95 116.45 2dim h TRP 32 Ca 0.16 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.08 2dim h TRP 32 Cb 1.46 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 30.40 2dim h TRP 32 CO 0.41 0.00 -0.04 0.77 -0.00 0.00 0.00 178.44 179.59 2dim h SER 33 N 0.41 -0.09 -0.26 -3.49 0.02 -1.88 -2.45 113.55 105.80 2dim h SER 33 Ca 0.65 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 2dim h SER 33 Cb 1.56 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 2dim h SER 33 CO -0.40 0.07 0.12 -0.09 -1.14 0.00 0.00 176.83 175.39 2dim h ARG 34 N -0.25 0.38 -0.54 3.45 2.43 -1.31 -3.02 114.38 115.52 2dim h ARG 34 Ca -0.01 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.21 2dim h ARG 34 Cb 0.21 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.59 2dim h ARG 34 CO 0.02 0.39 -0.14 0.82 -1.51 0.00 0.00 179.97 179.55 2dim h ILE 35 N 0.28 0.44 -0.94 1.20 2.04 -0.84 0.08 117.51 119.78 2dim h ILE 35 Ca 0.09 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.23 2dim h ILE 35 Cb 0.14 0.44 -0.15 0.00 -0.74 0.00 0.00 36.82 36.52 2dim h ILE 35 CO -0.01 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.50 2dim h ALA 36 N 1.52 1.56 -0.93 1.87 0.00 -1.30 0.43 119.26 122.41 2dim h ALA 36 Ca 0.26 0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.58 2dim h ALA 36 Cb 0.41 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 2dim h ALA 36 CO -0.56 -0.53 0.50 1.03 0.00 0.00 0.00 179.25 179.69 2dim h SER 37 N 0.23 0.58 -0.20 0.00 0.87 -1.02 -0.96 113.55 113.05 2dim h SER 37 Ca 0.63 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 61.35 2dim h SER 37 Cb 1.37 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.31 2dim h SER 37 CO -0.66 0.17 -0.09 -0.07 -0.53 0.00 0.00 176.83 175.65 2dim h LEU 38 N 0.61 -0.29 -9.59 2.23 3.38 -0.17 -3.41 115.31 108.06 2dim h LEU 38 Ca 0.55 0.07 -0.54 0.00 0.09 0.00 0.00 57.88 58.05 2dim h LEU 38 Cb 0.90 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2dim h LEU 38 CO -0.42 -0.11 0.18 -0.76 0.09 0.00 0.00 178.44 177.41 2dim s LEU 39 N -10.43 4.49 0.13 1.67 1.43 -0.36 -5.04 118.68 110.57 2dim s LEU 39 Ca -0.14 1.53 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 2dim s LEU 39 Cb 0.11 -3.28 -0.07 0.00 0.03 0.00 0.00 46.19 42.98 2dim s LEU 39 CO 0.68 0.06 0.80 -1.38 0.23 0.00 0.00 176.35 176.74 2dim s HIS 40 N -0.35 3.86 -0.73 0.29 -3.43 -1.26 -3.86 115.29 109.81 2dim s HIS 40 Ca 0.38 1.62 -0.04 0.00 -0.80 0.00 0.00 55.06 56.22 2dim s HIS 40 Cb -0.21 -2.82 0.00 0.00 -1.43 0.00 0.00 32.58 28.12 2dim s HIS 40 CO 0.24 0.42 0.58 0.54 -2.00 0.00 0.00 174.74 174.53 2dim n ARG 41 N 2.02 -3.99 -4.21 -0.38 1.74 -1.26 -5.03 116.66 105.55 2dim n ARG 41 Ca -0.04 0.44 -0.13 0.00 -0.77 0.00 0.00 57.85 57.35 2dim n ARG 41 Cb 0.49 -4.31 -0.09 0.00 -1.02 0.00 0.00 32.46 27.52 2dim n ARG 41 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2dim s LYS 42 N -5.62 1.33 0.18 5.56 -0.14 -1.25 -4.94 119.74 114.86 2dim s LYS 42 Ca 0.29 -1.69 -0.13 0.00 -1.36 0.00 0.00 55.97 53.07 2dim s LYS 42 Cb -0.13 0.29 0.01 0.00 -1.68 0.00 0.00 37.83 36.32 2dim s LYS 42 CO 0.36 -0.45 0.40 0.45 -0.76 0.00 0.00 175.35 175.34 2dim s SER 43 N -3.20 -0.11 0.18 2.83 0.15 -1.26 -4.80 113.70 107.49 2dim s SER 43 Ca 0.39 -0.66 -0.22 0.00 0.70 0.00 0.00 55.95 56.15 2dim s SER 43 Cb 0.06 0.50 0.09 0.00 -1.71 0.00 0.00 66.02 64.96 2dim s SER 43 CO 0.15 -0.96 1.58 0.00 1.20 0.00 0.00 173.24 175.21 2dim h ALA 44 N 2.38 -0.14 -0.56 5.45 0.00 -1.81 0.10 119.26 124.68 2dim h ALA 44 Ca -0.30 0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.85 2dim h ALA 44 Cb 1.24 0.81 -0.11 0.00 0.00 0.00 0.00 17.79 19.74 2dim h ALA 44 CO 0.43 -0.72 -0.29 -0.22 0.00 0.00 0.00 179.25 178.45 2dim h LYS 45 N -0.20 -0.14 0.05 0.00 3.11 -1.97 0.19 116.57 117.62 2dim h LYS 45 Ca 0.21 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2dim h LYS 45 Cb 0.55 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 2dim h LYS 45 CO -0.66 -0.09 -0.03 1.96 -2.81 0.00 0.00 179.45 177.83 2dim h GLN 46 N -0.14 -0.07 -0.95 1.90 1.08 -1.58 0.10 115.11 115.44 2dim h GLN 46 Ca 0.24 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.60 2dim h GLN 46 Cb 0.53 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.89 2dim h GLN 46 CO -0.65 -0.03 0.60 0.00 -0.95 0.00 0.00 178.83 177.80 2dim h LYS 48 N 0.76 0.74 0.28 0.00 3.64 -0.23 -2.91 116.57 118.85 2dim h LYS 48 Ca 0.50 -0.70 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2dim h LYS 48 Cb 0.76 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2dim h LYS 48 CO -0.27 1.29 -0.13 0.00 -2.27 0.00 0.00 179.45 178.07 2dim h ALA 49 N 0.47 -0.60 -1.05 5.00 0.00 0.55 -2.13 119.26 121.50 2dim h ALA 49 Ca -0.09 -0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.07 2dim h ALA 49 Cb 1.55 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 19.34 2dim h ALA 49 CO 0.18 -0.57 0.62 -0.09 0.00 0.00 0.00 179.25 179.39 2dim h ARG 50 N -0.64 0.28 0.00 0.00 9.65 -0.18 0.88 114.38 124.37 2dim h ARG 50 Ca -0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2dim h ARG 50 Cb 0.29 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2dim h ARG 50 CO 0.06 0.19 0.00 1.87 2.80 0.00 0.00 179.97 184.89 2dim n TRP 51 N -4.96 0.00 0.26 2.20 -0.00 -1.10 -2.46 117.44 111.39 2dim n TRP 51 Ca 0.32 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.95 2dim n TRP 51 Cb 1.04 -0.34 0.69 0.00 -0.00 0.00 0.00 31.31 32.70 2dim n TRP 51 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 2dim h TYR 52 N 0.00 0.00 0.34 5.87 0.05 -0.96 1.10 116.97 123.37 2dim h TYR 52 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2dim h TYR 52 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2dim h TYR 52 CO 0.11 0.00 -0.16 0.93 -1.05 0.00 0.00 178.16 177.98 2dim h GLU 53 N 0.00 -0.44 0.00 4.88 4.39 0.82 -3.44 114.58 120.79 2dim h GLU 53 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2dim h GLU 53 Cb 0.49 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2dim h GLU 53 CO 0.00 -0.11 -0.60 0.91 -1.16 0.00 0.00 179.01 178.04 2dim n TRP 54 N -5.12 0.00 -2.71 4.33 7.02 -0.67 -4.96 117.44 115.34 2dim n TRP 54 Ca -0.09 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.97 2dim n TRP 54 Cb 0.27 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.13 2dim n TRP 54 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2dim s LEU 55 N -3.99 4.06 -0.29 -0.99 1.43 0.37 -4.91 118.68 114.36 2dim s LEU 55 Ca 0.00 -1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 51.34 2dim s LEU 55 Cb 0.00 -2.50 0.16 0.00 0.03 0.00 0.00 46.19 43.88 2dim s LEU 55 CO 0.00 -1.39 1.24 -0.62 0.23 0.00 0.00 176.35 175.81 2dim s ASP 56 N 4.30 -0.25 0.01 2.29 -1.08 -1.24 -3.47 116.67 117.24 2dim s ASP 56 Ca 0.38 0.48 -0.23 0.00 -0.52 0.00 0.00 52.55 52.66 2dim s ASP 56 Cb -0.04 0.48 -0.17 0.00 -1.46 0.00 0.00 42.92 41.73 2dim s ASP 56 CO -0.06 -0.08 1.30 1.55 0.52 0.00 0.00 175.17 178.40 2dim h PRO 57 N 3.65 0.18 -1.00 4.34 0.13 -1.95 -3.19 132.00 134.15 2dim h PRO 57 Ca -0.27 -0.09 0.38 0.00 -0.87 0.00 0.00 66.00 65.14 2dim h PRO 57 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2dim h PRO 57 CO 0.15 0.62 0.51 1.03 -0.23 0.00 0.00 178.00 180.07 2dim h SER 58 N -0.26 0.32 -1.00 1.44 0.87 -1.99 -3.42 113.55 109.51 2dim h SER 58 Ca 0.01 0.24 -0.59 0.00 -1.23 0.00 0.00 61.79 60.22 2dim h SER 58 Cb 0.58 0.24 0.11 0.00 -0.44 0.00 0.00 62.40 62.89 2dim h SER 58 CO 0.02 -0.34 -0.54 -0.38 -0.53 0.00 0.00 176.83 175.06 2dim n ILE 59 N -5.21 1.59 -2.96 2.23 5.41 -1.21 -4.81 119.36 114.40 2dim n ILE 59 Ca 0.35 -0.45 -0.44 0.00 1.00 0.00 0.00 62.75 63.21 2dim n ILE 59 Cb 1.15 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 40.08 2dim n ILE 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2dim s LYS 60 N -0.90 3.95 -0.11 0.38 -2.85 -1.26 -4.68 119.74 114.27 2dim s LYS 60 Ca 0.57 -2.37 -0.09 0.00 -1.00 0.00 0.00 55.97 53.07 2dim s LYS 60 Cb -0.79 -5.00 -0.05 0.00 -2.06 0.00 0.00 37.83 29.93 2dim s LYS 60 CO 0.51 -1.75 -0.21 1.63 0.10 0.00 0.00 175.35 175.64 2dim n LYS 61 N 5.79 0.32 -3.94 1.78 5.02 -1.26 -5.10 118.16 120.78 2dim n LYS 61 Ca 0.32 0.14 -0.09 0.00 -2.02 0.00 0.00 58.31 56.66 2dim n LYS 61 Cb 0.45 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.33 2dim n LYS 61 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2dim s THR 62 N -2.42 0.10 0.77 -0.18 -1.32 -1.26 -5.16 115.64 106.17 2dim s THR 62 Ca -0.19 -1.36 -0.12 0.00 -1.21 0.00 0.00 61.69 58.81 2dim s THR 62 Cb 0.05 -1.66 0.06 0.00 -1.51 0.00 0.00 72.50 69.44 2dim s THR 62 CO 0.27 -0.46 1.12 -0.70 -2.21 0.00 0.00 174.62 172.63 2dim s GLU 63 N -3.93 2.14 -0.31 7.08 2.56 -1.26 -4.87 118.70 120.11 2dim s GLU 63 Ca 0.13 1.34 -0.29 0.00 0.00 0.00 0.00 54.97 56.15 2dim s GLU 63 Cb 0.04 -1.87 -0.07 0.00 2.00 0.00 0.00 34.13 34.23 2dim s GLU 63 CO -0.04 -1.75 2.26 0.91 -0.56 0.00 0.00 175.26 176.08 2dim n TRP 64 N -3.33 1.77 -0.04 5.30 8.01 -1.26 -4.84 117.44 123.05 2dim n TRP 64 Ca 0.10 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.17 2dim n TRP 64 Cb 0.52 -2.67 -0.11 0.00 -2.01 0.00 0.00 31.31 27.05 2dim n TRP 64 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2dim h SER 65 N 15.32 -0.02 -1.37 -0.99 4.64 -2.06 -3.50 113.55 125.56 2dim h SER 65 Ca -0.35 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.25 2dim h SER 65 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2dim h SER 65 CO 1.02 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 178.33 2dim n GLY 66 N 1.03 3.00 0.23 -0.77 0.00 -1.26 -4.86 105.19 102.56 2dim n GLY 66 Ca -0.09 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 2dim n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dim h PRO 67 N 0.00 0.64 -1.98 1.61 0.13 -2.04 -3.20 132.00 127.17 2dim h PRO 67 Ca 0.00 -0.34 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2dim h PRO 67 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 2dim h PRO 67 CO 0.00 0.94 -0.11 0.45 -0.23 0.00 0.00 178.00 179.05 2dim n SER 68 N -4.03 5.40 -4.80 1.44 2.88 -1.26 -4.88 113.62 108.37 2dim n SER 68 Ca -0.02 -2.49 -0.38 0.00 -1.33 0.00 0.00 58.87 54.65 2dim n SER 68 Cb 0.53 -1.23 -0.06 0.00 -0.75 0.00 0.00 64.21 62.70 2dim n SER 68 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dim s SER 69 N 1.87 6.71 0.00 -3.46 0.01 -1.21 -5.24 113.70 112.37 2dim s SER 69 Ca 0.27 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2dim s SER 69 Cb 0.14 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2dim s SER 69 CO -0.01 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.50