#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crb h SER 2 N 0.00 -0.10 -2.77 1.61 0.87 -2.01 -3.44 113.55 107.71 2crb h SER 2 Ca 0.00 -0.41 -0.55 0.00 -1.23 0.00 0.00 61.79 59.59 2crb h SER 2 Cb 0.00 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2crb h SER 2 CO 0.00 0.56 0.97 -0.44 -0.53 0.00 0.00 176.83 177.39 2crb s SER 3 N -5.67 6.79 0.76 6.23 0.01 -1.26 -4.81 113.70 115.75 2crb s SER 3 Ca -0.11 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2crb s SER 3 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2crb s SER 3 CO 0.39 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2crb n GLY 4 N 3.86 -1.14 0.08 3.44 0.00 -1.26 -4.57 105.19 105.60 2crb n GLY 4 Ca 0.15 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2crb n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2crb h SER 5 N -0.38 0.00 -4.28 1.61 0.87 -1.87 -3.46 113.55 106.04 2crb h SER 5 Ca 0.01 -0.57 -0.63 0.00 -1.23 0.00 0.00 61.79 59.37 2crb h SER 5 Cb 0.38 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.08 2crb h SER 5 CO 0.00 1.12 -0.86 -0.94 -0.53 0.00 0.00 176.83 175.62 2crb s SER 6 N -6.35 2.80 -0.03 6.23 1.04 -1.26 -4.62 113.70 111.51 2crb s SER 6 Ca -0.20 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.53 2crb s SER 6 Cb 0.02 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.94 2crb s SER 6 CO 0.52 0.20 0.58 0.61 0.98 0.00 0.00 173.24 176.13 2crb n GLY 7 N 1.77 0.34 3.57 7.32 0.00 -1.26 -5.06 105.19 111.87 2crb n GLY 7 Ca -0.17 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 2crb n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2crb s MET 8 N -2.00 2.47 -1.20 1.61 1.00 -1.26 -4.86 119.30 115.06 2crb s MET 8 Ca 0.14 -0.84 -0.22 0.00 0.00 0.00 0.00 55.69 54.76 2crb s MET 8 Cb -0.00 -5.17 -0.08 0.00 0.00 0.00 0.00 34.83 29.58 2crb s MET 8 CO -0.01 -3.83 1.92 0.39 0.00 0.00 0.00 175.02 173.49 2crb n GLU 9 N 8.48 1.72 0.00 2.03 1.02 -1.26 -3.50 120.64 129.12 2crb n GLU 9 Ca 0.43 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 2crb n GLU 9 Cb 0.47 -3.71 0.00 0.00 -0.02 0.00 0.00 31.44 28.17 2crb n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2crb n GLY 10 N 5.74 -2.07 0.24 0.62 0.00 -1.26 -4.96 105.19 103.50 2crb n GLY 10 Ca 0.45 0.69 0.12 0.00 0.00 0.00 0.00 46.02 47.27 2crb n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crb h PRO 11 N 0.00 0.00 -0.05 1.61 0.13 -2.00 -2.85 132.00 128.83 2crb h PRO 11 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2crb h PRO 11 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2crb h PRO 11 CO 0.00 0.17 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.85 2crb h LEU 12 N 0.00 0.11 0.08 1.56 3.38 -1.93 -2.61 115.31 115.91 2crb h LEU 12 Ca -0.00 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2crb h LEU 12 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2crb h LEU 12 CO 0.02 0.49 -0.04 -1.13 0.09 0.00 0.00 178.44 177.88 2crb h ASN 13 N -0.26 -0.09 -1.00 -0.43 -1.24 -1.83 -2.30 115.58 108.43 2crb h ASN 13 Ca 0.01 -0.22 0.24 0.00 0.71 0.00 0.00 56.30 57.04 2crb h ASN 13 Cb 0.45 0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.43 2crb h ASN 13 CO 0.01 0.17 0.64 -0.07 -1.29 0.00 0.00 177.43 176.89 2crb h LEU 14 N -0.36 0.47 -0.49 0.34 3.38 -1.57 0.32 115.31 117.40 2crb h LEU 14 Ca -0.01 0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2crb h LEU 14 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2crb h LEU 14 CO 0.02 0.13 -0.67 0.00 0.09 0.00 0.00 178.44 178.01 2crb h ALA 15 N 1.62 0.68 -0.82 1.53 0.00 -1.24 -3.18 119.26 117.85 2crb h ALA 15 Ca 0.55 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2crb h ALA 15 Cb 1.35 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2crb h ALA 15 CO -0.26 0.75 0.39 0.45 0.00 0.00 0.00 179.25 180.57 2crb h HIS 16 N 0.26 1.18 -0.38 0.00 3.86 0.17 -2.89 115.15 117.36 2crb h HIS 16 Ca -0.02 -0.06 0.08 0.00 -1.16 0.00 0.00 60.37 59.21 2crb h HIS 16 Cb 1.23 -0.37 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 2crb h HIS 16 CO 0.04 0.86 -0.14 1.96 0.86 0.00 0.00 177.93 181.51 2crb h GLN 17 N 1.16 -0.05 0.12 2.45 4.20 -1.37 -2.31 115.11 119.31 2crb h GLN 17 Ca 0.28 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.00 2crb h GLN 17 Cb 0.13 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2crb h GLN 17 CO -0.03 -0.04 -0.17 1.96 -0.67 0.00 0.00 178.83 179.88 2crb h GLN 18 N -0.06 -0.34 -0.86 1.46 1.08 -1.60 -2.69 115.11 112.10 2crb h GLN 18 Ca 0.19 0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.59 2crb h GLN 18 Cb 0.34 0.08 -0.16 0.00 -0.05 0.00 0.00 27.48 27.68 2crb h GLN 18 CO -0.42 -0.22 -0.17 0.45 -0.95 0.00 0.00 178.83 177.51 2crb n SER 19 N -5.30 -0.27 0.02 1.46 2.88 -0.88 -0.04 113.62 111.49 2crb n SER 19 Ca -0.07 1.48 -0.14 0.00 -1.33 0.00 0.00 58.87 58.81 2crb n SER 19 Cb 0.22 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.13 2crb n SER 19 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2crb h ARG 20 N 0.00 -0.57 -0.88 -1.46 3.08 -1.32 -2.25 114.38 110.99 2crb h ARG 20 Ca 0.43 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.64 2crb h ARG 20 Cb 0.71 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.76 2crb h ARG 20 CO -0.88 -0.38 -0.47 -0.09 -1.07 0.00 0.00 179.97 177.09 2crb h ARG 21 N -0.59 -0.06 -0.75 0.04 2.43 -0.50 0.36 114.38 115.31 2crb h ARG 21 Ca 0.04 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.39 2crb h ARG 21 Cb 0.68 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.12 2crb h ARG 21 CO -0.39 -0.04 0.10 0.00 -1.51 0.00 0.00 179.97 178.13 2crb h ALA 22 N 0.88 0.90 0.73 2.80 0.00 -1.22 -0.11 119.26 123.24 2crb h ALA 22 Ca 0.24 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 2crb h ALA 22 Cb 0.53 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2crb h ALA 22 CO -0.89 -0.39 -0.35 -0.44 0.00 0.00 0.00 179.25 177.18 2crb h ASP 23 N 0.18 -0.83 -0.82 0.00 3.32 0.09 0.50 116.42 118.87 2crb h ASP 23 Ca 0.42 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.73 2crb h ASP 23 Cb 0.75 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2crb h ASP 23 CO -0.59 -0.58 0.60 0.03 -1.72 0.00 0.00 179.24 176.98 2crb h ARG 24 N -1.00 0.00 0.03 3.56 2.47 -0.30 -0.56 114.38 118.58 2crb h ARG 24 Ca -0.10 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 2crb h ARG 24 Cb 0.76 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2crb h ARG 24 CO 0.16 0.00 -0.38 -0.07 0.56 0.00 0.00 179.97 180.24 2crb h LEU 25 N 0.00 0.28 -1.35 3.04 3.38 -0.53 -3.26 115.31 116.87 2crb h LEU 25 Ca 0.39 -0.85 0.20 0.00 0.09 0.00 0.00 57.88 57.71 2crb h LEU 25 Cb 1.58 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.16 2crb h LEU 25 CO -0.00 1.10 0.61 0.25 0.09 0.00 0.00 178.44 180.49 2crb h LEU 26 N -0.50 0.53 -1.34 1.67 5.85 0.70 0.40 115.31 122.61 2crb h LEU 26 Ca -0.06 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2crb h LEU 26 Cb 1.19 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2crb h LEU 26 CO 0.07 0.20 -0.33 0.00 -0.34 0.00 0.00 178.44 178.05 2crb h ALA 27 N 1.62 1.46 -0.46 1.25 0.00 -1.48 -2.10 119.26 119.53 2crb h ALA 27 Ca 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2crb h ALA 27 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2crb h ALA 27 CO -0.24 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2crb n ALA 28 N -2.48 3.09 -1.63 0.00 0.00 0.13 -4.89 120.51 114.73 2crb n ALA 28 Ca -0.02 -1.21 -0.17 0.00 0.00 0.00 0.00 53.44 52.03 2crb n ALA 28 Cb 0.37 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 2crb n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2crb n GLY 29 N 0.80 1.39 1.97 0.00 0.00 -0.79 -4.86 105.19 103.69 2crb n GLY 29 Ca 0.19 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2crb n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2crb n LYS 30 N -2.52 1.98 -0.25 1.61 4.76 -0.36 -4.73 118.16 118.64 2crb n LYS 30 Ca -0.18 -1.95 -0.07 0.00 -2.87 0.00 0.00 58.31 53.25 2crb n LYS 30 Cb 0.58 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 2crb n LYS 30 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2crb n TYR 31 N 0.01 -0.26 -0.39 2.13 4.01 -1.26 0.05 117.16 121.44 2crb n TYR 31 Ca 0.37 0.74 -0.04 0.00 -0.16 0.00 0.00 57.90 58.82 2crb n TYR 31 Cb 0.65 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2crb n TYR 31 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2crb n GLU 32 N -4.45 -0.29 -0.23 -0.72 0.00 -1.26 0.14 120.64 113.84 2crb n GLU 32 Ca 0.01 1.51 -0.00 0.00 0.00 0.00 0.00 57.16 58.68 2crb n GLU 32 Cb 0.15 -2.24 0.07 0.00 0.00 0.00 0.00 31.44 29.42 2crb n GLU 32 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2crb h GLU 33 N 0.00 -0.01 -0.48 5.31 4.39 -0.77 0.10 114.58 123.13 2crb h GLU 33 Ca 0.29 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 2crb h GLU 33 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2crb h GLU 33 CO -0.97 -0.01 0.18 0.00 -1.16 0.00 0.00 179.01 177.06 2crb h ALA 34 N 1.64 0.62 -0.83 3.43 0.00 0.10 -2.19 119.26 122.03 2crb h ALA 34 Ca 0.32 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2crb h ALA 34 Cb 0.49 -0.19 -0.13 0.00 0.00 0.00 0.00 17.79 17.97 2crb h ALA 34 CO -0.69 0.24 -0.43 0.82 0.00 0.00 0.00 179.25 179.19 2crb h ILE 35 N 0.63 0.05 -0.09 0.00 2.04 0.12 -0.80 117.51 119.46 2crb h ILE 35 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2crb h ILE 35 Cb 0.21 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2crb h ILE 35 CO -0.01 0.00 -0.03 0.77 0.00 0.00 0.00 178.15 178.88 2crb h SER 36 N -0.09 0.18 -0.89 1.72 4.64 -1.43 -3.10 113.55 114.58 2crb h SER 36 Ca 0.25 -0.38 0.23 0.00 -0.47 0.00 0.00 61.79 61.41 2crb h SER 36 Cb 0.55 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 62.43 2crb h SER 36 CO -0.86 0.52 -0.05 0.00 -0.87 0.00 0.00 176.83 175.57 2crb h HIS 38 N 0.00 0.18 -1.10 0.00 3.86 -1.30 -2.89 115.15 113.90 2crb h HIS 38 Ca 0.51 -0.03 0.32 0.00 -1.16 0.00 0.00 60.37 60.01 2crb h HIS 38 Cb 0.98 -0.05 -0.12 0.00 1.06 0.00 0.00 27.41 29.28 2crb h HIS 38 CO -0.52 0.39 0.68 0.00 0.86 0.00 0.00 177.93 179.33 2crb h ARG 39 N -0.09 0.30 0.35 2.45 3.08 0.34 0.09 114.38 120.91 2crb h ARG 39 Ca 0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2crb h ARG 39 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2crb h ARG 39 CO 0.00 0.20 -0.17 0.87 -1.07 0.00 0.00 179.97 179.80 2crb h LYS 40 N 0.31 -0.46 0.27 0.04 1.57 -1.15 -3.05 116.57 114.11 2crb h LYS 40 Ca 0.70 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 2crb h LYS 40 Cb 1.81 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 34.18 2crb h LYS 40 CO -0.43 -0.14 -0.50 0.00 -0.57 0.00 0.00 179.45 177.80 2crb h ALA 41 N -0.36 -1.05 -0.91 3.86 0.00 -0.92 -2.70 119.26 117.18 2crb h ALA 41 Ca -0.05 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2crb h ALA 41 Cb 0.53 0.82 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 2crb h ALA 41 CO 0.08 -1.14 -0.43 0.25 0.00 0.00 0.00 179.25 178.01 2crb n THR 42 N -5.39 -0.54 -0.11 0.00 -2.24 -0.31 -0.33 114.28 105.37 2crb n THR 42 Ca -0.10 2.15 -0.09 0.00 -2.27 0.00 0.00 64.05 63.74 2crb n THR 42 Cb 0.42 -2.76 -0.04 0.00 -2.10 0.00 0.00 70.33 65.85 2crb n THR 42 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2crb h THR 43 N 0.00 0.15 -0.54 4.28 2.02 -1.37 -0.92 112.91 116.54 2crb h THR 43 Ca 0.24 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.53 2crb h THR 43 Cb 0.47 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 66.94 2crb h THR 43 CO -0.88 0.00 -0.04 0.22 0.37 0.00 0.00 175.52 175.19 2crb h TYR 44 N -0.32 -0.11 -0.68 3.16 3.20 -0.39 -0.31 116.97 121.51 2crb h TYR 44 Ca 0.14 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.16 2crb h TYR 44 Cb 0.58 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.90 2crb h TYR 44 CO -0.58 -0.16 0.29 -0.07 -1.64 0.00 0.00 178.16 176.00 2crb h LEU 45 N 0.08 0.33 -1.25 2.82 3.38 -0.05 -0.07 115.31 120.55 2crb h LEU 45 Ca 0.27 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 2crb h LEU 45 Cb 0.42 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2crb h LEU 45 CO -0.48 0.18 -0.09 0.28 0.09 0.00 0.00 178.44 178.42 2crb h SER 46 N 0.49 0.39 0.40 -0.43 0.02 -0.03 -2.11 113.55 112.29 2crb h SER 46 Ca 0.35 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 2crb h SER 46 Cb 0.42 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2crb h SER 46 CO -0.31 0.52 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.27 2crb h GLU 47 N 0.39 0.00 0.25 3.45 5.08 0.33 -2.03 114.58 122.05 2crb h GLU 47 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2crb h GLU 47 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2crb h GLU 47 CO 0.02 0.30 -0.12 0.00 -1.00 0.00 0.00 179.01 178.21 2crb h ALA 48 N 1.70 -0.34 -0.05 3.43 0.00 -0.69 -3.23 119.26 120.09 2crb h ALA 48 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2crb h ALA 48 Cb 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2crb h ALA 48 CO 0.04 -0.36 0.07 0.00 0.00 0.00 0.00 179.25 179.00 2crb h MET 49 N -1.01 0.00 0.00 0.00 -0.00 -1.50 0.20 114.93 112.63 2crb h MET 49 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2crb h MET 49 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 2crb h MET 49 CO 0.06 0.00 0.00 1.63 -0.00 0.00 0.00 176.91 178.60 2crb n LYS 50 N -3.63 0.19 -0.06 -0.10 5.02 -0.77 -3.87 118.16 114.95 2crb n LYS 50 Ca -0.02 0.36 -0.12 0.00 -2.02 0.00 0.00 58.31 56.52 2crb n LYS 50 Cb 0.16 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 33.31 2crb n LYS 50 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2crb n LEU 51 N -2.18 1.24 -4.60 -0.35 4.32 0.55 -5.00 117.00 110.98 2crb n LEU 51 Ca 0.03 0.20 -0.50 0.00 -0.02 0.00 0.00 56.01 55.72 2crb n LEU 51 Cb 0.27 -0.48 -0.05 0.00 -1.62 0.00 0.00 43.42 41.53 2crb n LEU 51 CO 0.21 0.00 0.92 1.07 -1.22 0.00 0.00 177.39 178.38 2crb n THR 52 N -3.80 0.21 -0.04 -5.08 5.66 -0.26 -4.88 114.28 106.09 2crb n THR 52 Ca -0.21 -0.05 -0.05 0.00 -3.05 0.00 0.00 64.05 60.69 2crb n THR 52 Cb 0.54 -0.97 -0.14 0.00 -1.55 0.00 0.00 70.33 68.22 2crb n THR 52 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2crb n GLU 53 N 2.50 0.66 -1.91 1.09 0.00 -1.26 -4.83 120.64 116.88 2crb n GLU 53 Ca 0.17 0.10 -0.42 0.00 0.00 0.00 0.00 57.16 57.01 2crb n GLU 53 Cb 0.22 -1.65 -0.03 0.00 0.00 0.00 0.00 31.44 29.98 2crb n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2crb s SER 54 N -5.58 6.59 0.03 4.31 0.15 -1.26 -4.93 113.70 113.00 2crb s SER 54 Ca -0.07 2.50 -0.09 0.00 0.70 0.00 0.00 55.95 58.99 2crb s SER 54 Cb 0.08 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2crb s SER 54 CO 0.83 -0.90 1.15 -0.08 1.20 0.00 0.00 173.24 175.44 2crb h GLU 55 N 8.41 -0.18 -0.89 5.44 4.81 -2.00 -2.16 114.58 128.01 2crb h GLU 55 Ca -0.43 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.92 2crb h GLU 55 Cb 1.20 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.50 2crb h GLU 55 CO 0.93 -0.12 -0.43 1.04 -0.73 0.00 0.00 179.01 179.70 2crb n GLN 56 N -3.26 -0.29 -0.23 1.92 1.13 -1.26 0.48 117.38 115.86 2crb n GLN 56 Ca -0.02 1.36 0.00 0.00 -1.94 0.00 0.00 57.00 56.40 2crb n GLN 56 Cb 0.11 -2.01 0.07 0.00 0.11 0.00 0.00 30.24 28.52 2crb n GLN 56 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2crb h ALA 57 N 0.87 0.45 -0.10 -1.58 0.00 -1.88 0.60 119.26 117.62 2crb h ALA 57 Ca 0.23 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 2crb h ALA 57 Cb 0.46 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2crb h ALA 57 CO -0.86 -0.42 -0.10 1.25 0.00 0.00 0.00 179.25 179.12 2crb h HIS 58 N -0.00 0.14 -0.09 0.00 -0.00 0.67 -2.80 115.15 113.08 2crb h HIS 58 Ca 0.33 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.62 2crb h HIS 58 Cb 0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 2crb h HIS 58 CO -0.56 0.25 -0.21 -0.07 -0.00 0.00 0.00 177.93 177.34 2crb h LEU 59 N 0.14 0.34 -2.02 0.26 4.07 0.18 0.24 115.31 118.52 2crb h LEU 59 Ca 0.03 -0.57 0.14 0.00 0.08 0.00 0.00 57.88 57.55 2crb h LEU 59 Cb 0.27 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 2crb h LEU 59 CO 0.02 0.85 0.41 0.77 -1.08 0.00 0.00 178.44 179.41 2crb h SER 60 N -0.16 0.00 0.00 -0.43 4.64 -0.39 -2.09 113.55 115.12 2crb h SER 60 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2crb h SER 60 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2crb h SER 60 CO 0.05 0.00 -0.61 0.18 -0.87 0.00 0.00 176.83 175.57 2crb n LEU 61 N -4.01 1.82 -0.45 5.97 4.77 -1.14 -3.49 117.00 120.48 2crb n LEU 61 Ca 0.08 0.60 0.38 0.00 -0.03 0.00 0.00 56.01 57.04 2crb n LEU 61 Cb 0.61 -0.87 0.64 0.00 -2.33 0.00 0.00 43.42 41.47 2crb n LEU 61 CO 0.32 -0.40 1.15 -1.84 -1.33 0.00 0.00 177.39 175.28 2crb n GLU 62 N -4.59 -0.03 -0.01 3.23 0.28 0.06 0.14 120.64 119.72 2crb n GLU 62 Ca -0.10 1.15 -0.16 0.00 -0.16 0.00 0.00 57.16 57.89 2crb n GLU 62 Cb 0.32 -2.29 -0.11 0.00 1.43 0.00 0.00 31.44 30.78 2crb n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2crb h LEU 63 N 0.00 0.37 -0.72 -1.84 3.38 -1.56 -3.25 115.31 111.69 2crb h LEU 63 Ca 0.82 -0.77 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2crb h LEU 63 Cb 2.69 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 43.25 2crb h LEU 63 CO -0.41 1.09 0.34 -0.61 0.09 0.00 0.00 178.44 178.94 2crb h GLN 64 N -0.31 0.54 -0.60 1.13 5.75 0.12 -1.55 115.11 120.19 2crb h GLN 64 Ca -0.05 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.50 2crb h GLN 64 Cb 1.15 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 2crb h GLN 64 CO 0.08 0.36 0.24 -0.09 -2.65 0.00 0.00 178.83 176.77 2crb h ARG 65 N 0.56 0.42 0.00 1.69 2.43 -1.29 -2.92 114.38 115.26 2crb h ARG 65 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2crb h ARG 65 Cb 0.43 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2crb h ARG 65 CO -0.30 0.28 0.00 -3.47 -1.51 0.00 0.00 179.97 174.96 2crb n ASP 66 N -4.97 0.00 0.14 -3.80 -0.08 -0.58 -1.20 116.55 106.05 2crb n ASP 66 Ca 0.08 0.70 -0.15 0.00 -1.51 0.00 0.00 54.79 53.91 2crb n ASP 66 Cb 0.25 -0.33 -0.07 0.00 2.34 0.00 0.00 41.12 43.30 2crb n ASP 66 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2crb h SER 67 N 0.00 -1.21 -1.38 1.67 4.64 -1.65 0.13 113.55 115.75 2crb h SER 67 Ca 0.00 0.13 0.40 0.00 -0.47 0.00 0.00 61.79 61.85 2crb h SER 67 Cb 0.00 0.45 -0.06 0.00 -0.31 0.00 0.00 62.40 62.48 2crb h SER 67 CO 0.00 -0.50 1.19 1.41 -0.87 0.00 0.00 176.83 178.06 2crb n HIS 68 N -5.47 0.00 -0.09 4.77 8.25 -0.35 0.13 115.22 122.46 2crb n HIS 68 Ca -0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.18 2crb n HIS 68 Cb 0.38 -0.35 -0.12 0.00 1.12 0.00 0.00 29.99 31.02 2crb n HIS 68 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2crb n MET 69 N -3.39 0.67 -0.31 -0.41 2.00 -0.21 -3.87 117.12 111.60 2crb n MET 69 Ca 0.31 0.21 0.16 0.00 0.00 0.00 0.00 57.70 58.37 2crb n MET 69 Cb 1.61 -1.58 0.40 0.00 0.00 0.00 0.00 33.22 33.65 2crb n MET 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 2crb h LYS 70 N -0.11 0.60 -0.05 0.03 2.10 0.37 0.92 116.57 120.43 2crb h LYS 70 Ca -0.54 -0.04 -0.21 0.00 -2.00 0.00 0.00 60.65 57.86 2crb h LYS 70 Cb 1.89 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 2crb h LYS 70 CO -0.08 0.40 -0.84 1.96 -2.00 0.00 0.00 179.45 178.89 2crb h GLN 71 N 0.62 0.45 -0.74 0.07 1.08 -1.37 -2.52 115.11 112.70 2crb h GLN 71 Ca 0.54 -0.42 0.03 0.00 -1.45 0.00 0.00 58.65 57.35 2crb h GLN 71 Cb 1.03 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.52 2crb h GLN 71 CO -0.30 1.06 0.47 1.25 -0.95 0.00 0.00 178.83 180.37 2crb h LEU 72 N 0.28 0.79 -0.48 1.46 5.85 -0.96 0.43 115.31 122.69 2crb h LEU 72 Ca -0.06 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.50 2crb h LEU 72 Cb 1.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2crb h LEU 72 CO 0.15 0.55 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.96 2crb h LEU 73 N 0.93 0.00 -0.30 2.25 3.38 -1.38 -2.09 115.31 118.12 2crb h LEU 73 Ca 0.29 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 2crb h LEU 73 Cb -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2crb h LEU 73 CO -0.10 0.76 -0.87 -0.07 0.09 0.00 0.00 178.44 178.26 2crb h LEU 74 N 0.00 0.21 0.02 1.67 3.38 -0.92 -3.14 115.31 116.54 2crb h LEU 74 Ca -0.01 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2crb h LEU 74 Cb 1.35 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2crb h LEU 74 CO 0.10 0.98 -0.51 0.40 0.09 0.00 0.00 178.44 179.50 2crb h ILE 75 N 0.09 1.49 -0.98 1.22 2.04 -0.14 -2.63 117.51 118.60 2crb h ILE 75 Ca -0.04 -2.11 0.15 0.00 1.00 0.00 0.00 64.86 63.86 2crb h ILE 75 Cb 1.49 2.76 -0.09 0.00 -0.74 0.00 0.00 36.82 40.24 2crb h ILE 75 CO 0.13 0.60 0.59 1.56 0.00 0.00 0.00 178.15 181.03 2crb h GLN 76 N -0.29 0.83 -0.16 2.37 4.20 -1.46 -0.49 115.11 120.11 2crb h GLN 76 Ca -0.07 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.38 2crb h GLN 76 Cb 1.26 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.86 2crb h GLN 76 CO 0.10 0.55 -0.75 1.05 -0.67 0.00 0.00 178.83 179.11 2crb h GLU 77 N 0.85 0.77 0.00 1.46 4.11 -1.61 -2.88 114.58 117.29 2crb h GLU 77 Ca 0.52 -0.61 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2crb h GLU 77 Cb 0.66 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2crb h GLU 77 CO -0.32 1.22 -0.07 0.00 0.07 0.00 0.00 179.01 179.91 2crb h ARG 78 N 0.53 0.00 0.04 1.06 2.47 -0.80 -2.85 114.38 114.83 2crb h ARG 78 Ca -0.04 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2crb h ARG 78 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2crb h ARG 78 CO 0.15 0.07 -0.02 2.35 0.56 0.00 0.00 179.97 183.08 2crb h TRP 79 N 0.00 -0.05 -0.59 3.04 7.01 -1.03 -2.72 115.95 121.62 2crb h TRP 79 Ca -0.00 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.17 2crb h TRP 79 Cb 0.22 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 2crb h TRP 79 CO 0.00 -0.03 0.90 1.57 -2.79 0.00 0.00 178.44 178.09 2crb h LYS 80 N -0.59 0.00 0.00 2.65 2.10 -1.50 0.32 116.57 119.56 2crb h LYS 80 Ca -0.01 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 2crb h LYS 80 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 2crb h LYS 80 CO 0.01 0.00 -0.28 0.00 -2.00 0.00 0.00 179.45 177.18 2crb h ARG 81 N 0.00 0.00 0.00 0.07 3.08 -1.58 -3.30 114.38 112.65 2crb h ARG 81 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2crb h ARG 81 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.13 2crb h ARG 81 CO -0.00 0.96 0.28 0.00 -1.07 0.00 0.00 179.97 180.13 2crb h ALA 82 N -0.15 1.23 -0.12 0.04 0.00 -0.03 0.25 119.26 120.49 2crb h ALA 82 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2crb h ALA 82 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2crb h ALA 82 CO -0.05 -0.23 -0.53 0.87 0.00 0.00 0.00 179.25 179.31 2crb h LYS 83 N 0.00 0.32 0.09 0.00 1.79 -1.52 -2.76 116.57 114.49 2crb h LYS 83 Ca 0.00 -0.19 -0.36 0.00 -2.18 0.00 0.00 60.65 57.92 2crb h LYS 83 Cb 0.56 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 2crb h LYS 83 CO 0.00 0.77 -2.00 2.89 -1.08 0.00 0.00 179.45 180.03 2crb n ARG 84 N -3.94 0.72 0.29 3.15 1.85 0.81 -3.02 116.66 116.52 2crb n ARG 84 Ca -0.02 0.28 0.18 0.00 -1.00 0.00 0.00 57.85 57.29 2crb n ARG 84 Cb 0.57 -1.68 0.98 0.00 -1.05 0.00 0.00 32.46 31.28 2crb n ARG 84 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2crb h GLU 85 N -0.06 0.00 0.06 2.89 5.08 -1.42 0.27 114.58 121.40 2crb h GLU 85 Ca -0.44 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.58 2crb h GLU 85 Cb 1.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 2crb h GLU 85 CO 0.03 0.00 -1.89 -1.91 -1.00 0.00 0.00 179.01 174.24 2crb n GLU 86 N -3.47 0.67 0.20 2.33 4.07 -1.04 -3.75 120.64 119.64 2crb n GLU 86 Ca -0.02 0.34 0.04 0.00 -0.06 0.00 0.00 57.16 57.47 2crb n GLU 86 Cb 0.18 -1.68 0.41 0.00 -0.06 0.00 0.00 31.44 30.30 2crb n GLU 86 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2crb h ARG 87 N -0.36 0.00 0.00 5.31 2.47 -1.33 -1.55 114.38 118.92 2crb h ARG 87 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2crb h ARG 87 Cb 1.76 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.08 2crb h ARG 87 CO -0.07 0.32 0.00 1.28 0.56 0.00 0.00 179.97 182.05 2crb n LEU 88 N -4.08 0.41 -0.17 3.04 7.99 0.88 -3.18 117.00 121.88 2crb n LEU 88 Ca -0.02 0.54 0.09 0.00 -0.01 0.00 0.00 56.01 56.61 2crb n LEU 88 Cb 0.37 -0.42 0.15 0.00 -0.11 0.00 0.00 43.42 43.40 2crb n LEU 88 CO 0.38 -0.12 0.53 2.29 -1.51 0.00 0.00 177.39 178.96 2crb n LYS 89 N -1.88 1.29 -4.18 3.23 2.85 -0.72 -4.94 118.16 113.82 2crb n LYS 89 Ca 0.06 -2.66 -0.35 0.00 -1.05 0.00 0.00 58.31 54.31 2crb n LYS 89 Cb 0.37 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 33.17 2crb n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2crb s ALA 90 N -2.86 3.37 -1.51 0.58 0.00 -0.67 -4.48 121.76 116.20 2crb s ALA 90 Ca 0.32 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2crb s ALA 90 Cb 0.29 -1.72 0.08 0.00 0.00 0.00 0.00 23.12 21.77 2crb s ALA 90 CO 0.01 0.39 1.01 1.58 0.00 0.00 0.00 175.76 178.75 2crb n HIS 91 N 2.83 -2.39 -1.65 0.00 -0.00 -1.26 -4.95 115.22 107.80 2crb n HIS 91 Ca -0.18 0.92 -0.30 0.00 -0.00 0.00 0.00 57.72 58.17 2crb n HIS 91 Cb 0.53 -4.13 0.09 0.00 -0.00 0.00 0.00 29.99 26.48 2crb n HIS 91 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2crb s SER 92 N -3.32 4.48 0.95 0.26 1.04 -1.26 -5.04 113.70 110.81 2crb s SER 92 Ca 0.65 1.14 -0.12 0.00 0.48 0.00 0.00 55.95 58.11 2crb s SER 92 Cb -0.32 -1.83 0.16 0.00 0.10 0.00 0.00 66.02 64.12 2crb s SER 92 CO 0.82 -1.96 1.09 -0.83 0.98 0.00 0.00 173.24 173.34 2crb s GLY 93 N -4.09 1.60 0.19 7.32 0.00 -1.26 -4.96 107.32 106.12 2crb s GLY 93 Ca 0.61 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 45.16 2crb s GLY 93 CO 0.53 0.42 1.55 -0.56 0.00 0.00 0.00 173.10 175.03 2crb h PRO 94 N -1.74 0.69 -6.25 2.90 0.13 -2.00 -3.45 132.00 122.28 2crb h PRO 94 Ca -0.51 -0.36 -0.69 0.00 -0.87 0.00 0.00 66.00 63.57 2crb h PRO 94 Cb 1.30 0.01 0.06 0.00 0.13 0.00 0.00 31.00 32.50 2crb h PRO 94 CO 0.54 0.97 0.37 0.45 -0.23 0.00 0.00 178.00 180.10 2crb n SER 95 N -4.03 1.37 -4.74 1.44 2.88 -1.26 -4.86 113.62 104.43 2crb n SER 95 Ca -0.02 1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 58.25 2crb n SER 95 Cb 0.53 -1.16 0.02 0.00 -0.75 0.00 0.00 64.21 62.85 2crb n SER 95 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2crb n SER 96 N 2.32 2.95 0.00 -3.46 2.88 -1.26 -5.17 113.62 111.87 2crb n SER 96 Ca 0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2crb n SER 96 Cb 0.19 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 2crb n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42