#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crb s SER 2 N 0.00 6.59 -0.07 1.61 1.04 -1.26 -4.99 113.70 116.63 2crb s SER 2 Ca 0.00 -2.17 -0.03 0.00 0.48 0.00 0.00 55.95 54.23 2crb s SER 2 Cb 0.00 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.85 2crb s SER 2 CO 0.00 -0.89 0.15 -0.55 0.98 0.00 0.00 173.24 172.94 2crb s SER 3 N 3.07 -0.06 0.00 7.02 0.15 -1.26 -5.11 113.70 117.51 2crb s SER 3 Ca 0.23 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2crb s SER 3 Cb -0.11 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2crb s SER 3 CO -0.06 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2crb n GLY 4 N 4.30 -1.56 0.08 9.45 0.00 -1.26 -4.74 105.19 111.45 2crb n GLY 4 Ca -0.25 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 2crb n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2crb h SER 5 N 0.00 0.10 -3.44 1.61 4.64 -2.04 -3.40 113.55 111.02 2crb h SER 5 Ca 0.00 -0.56 -0.70 0.00 -0.47 0.00 0.00 61.79 60.06 2crb h SER 5 Cb 0.00 -0.03 -0.33 0.00 -0.31 0.00 0.00 62.40 61.74 2crb h SER 5 CO 0.00 0.64 -0.51 -0.94 -0.87 0.00 0.00 176.83 175.16 2crb s SER 6 N -5.89 5.39 0.25 4.97 1.04 -1.26 -5.07 113.70 113.13 2crb s SER 6 Ca -0.16 -1.93 0.04 0.00 0.48 0.00 0.00 55.95 54.39 2crb s SER 6 Cb 0.02 -1.89 -0.05 0.00 0.10 0.00 0.00 66.02 64.20 2crb s SER 6 CO 0.70 -0.57 -0.01 -0.83 0.98 0.00 0.00 173.24 173.50 2crb s GLY 7 N 2.06 1.69 -0.89 7.32 0.00 -1.26 -4.78 107.32 111.45 2crb s GLY 7 Ca 0.07 -1.84 -0.25 0.00 0.00 0.00 0.00 44.72 42.70 2crb s GLY 7 CO -0.03 -1.73 2.51 -0.13 0.00 0.00 0.00 173.10 173.72 2crb n MET 8 N -0.49 0.23 -3.45 2.90 0.00 -1.26 -4.84 117.12 110.20 2crb n MET 8 Ca -0.05 -0.07 -0.43 0.00 0.00 0.00 0.00 57.70 57.15 2crb n MET 8 Cb 0.64 -1.91 -0.06 0.00 0.00 0.00 0.00 33.22 31.90 2crb n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2crb s GLU 9 N 8.43 2.97 0.00 2.12 0.41 -1.26 -4.40 118.70 126.96 2crb s GLU 9 Ca 1.25 -2.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.72 2crb s GLU 9 Cb -0.89 -4.15 0.00 0.00 -1.78 0.00 0.00 34.13 27.32 2crb s GLU 9 CO 0.44 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 2crb n GLY 10 N 4.48 -0.94 0.28 -1.39 0.00 -1.26 -4.95 105.19 101.41 2crb n GLY 10 Ca -0.00 0.42 0.18 0.00 0.00 0.00 0.00 46.02 46.61 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 0.52 1.61 0.13 -1.99 -2.87 132.00 129.40 2crb h PRO 11 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2crb h PRO 11 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2crb h PRO 11 CO 0.00 0.00 -0.25 -0.07 -0.23 0.00 0.00 178.00 177.45 2crb h LEU 12 N 0.00 -0.59 -1.55 1.56 3.38 -1.93 -1.26 115.31 114.93 2crb h LEU 12 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2crb h LEU 12 Cb 0.49 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2crb h LEU 12 CO 0.00 -0.24 0.00 -1.13 0.09 0.00 0.00 178.44 177.16 2crb h ASN 13 N -0.98 0.00 -0.01 -0.43 -0.73 -1.90 -3.06 115.58 108.47 2crb h ASN 13 Ca -0.07 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 2crb h ASN 13 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.21 2crb h ASN 13 CO 0.12 0.00 -0.06 -0.07 -0.37 0.00 0.00 177.43 177.05 2crb h LEU 14 N 0.00 0.06 -0.18 0.34 3.38 -1.37 -3.11 115.31 114.43 2crb h LEU 14 Ca 0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2crb h LEU 14 Cb 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2crb h LEU 14 CO 0.00 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.28 2crb n ALA 15 N -2.47 1.37 0.09 1.53 0.00 -0.49 -1.86 120.51 118.69 2crb n ALA 15 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2crb n ALA 15 Cb 0.37 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.68 2crb n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2crb h HIS 16 N 0.00 0.19 -0.28 0.00 3.86 -1.46 -2.80 115.15 114.65 2crb h HIS 16 Ca 0.00 -0.10 0.08 0.00 -1.16 0.00 0.00 60.37 59.19 2crb h HIS 16 Cb 0.15 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2crb h HIS 16 CO 0.00 0.88 0.22 -0.56 0.86 0.00 0.00 177.93 179.33 2crb h GLN 17 N 0.08 0.00 0.00 2.45 3.07 -1.46 -2.73 115.11 116.52 2crb h GLN 17 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.54 2crb h GLN 17 Cb 1.42 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.95 2crb h GLN 17 CO 0.12 0.00 -1.05 1.96 0.09 0.00 0.00 178.83 179.95 2crb h GLN 18 N 0.00 0.00 -0.90 0.06 1.08 -1.71 -3.37 115.11 110.27 2crb h GLN 18 Ca 0.13 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.48 2crb h GLN 18 Cb 0.58 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.86 2crb h GLN 18 CO -0.00 0.80 -0.34 0.45 -0.95 0.00 0.00 178.83 178.80 2crb n SER 19 N -4.48 -0.56 -0.12 1.46 2.88 -1.06 0.46 113.62 112.20 2crb n SER 19 Ca -0.26 1.56 -0.05 0.00 -1.33 0.00 0.00 58.87 58.79 2crb n SER 19 Cb 0.59 -0.37 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 2crb n SER 19 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2crb h ARG 20 N 0.00 -0.10 -0.28 -1.46 0.11 -1.69 -2.04 114.38 108.92 2crb h ARG 20 Ca 0.32 0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.46 2crb h ARG 20 Cb 0.55 0.02 -0.08 0.00 1.11 0.00 0.00 29.97 31.57 2crb h ARG 20 CO -0.89 -0.07 -0.47 -0.09 0.10 0.00 0.00 179.97 178.56 2crb h ARG 21 N -0.10 -0.42 -0.46 0.08 2.43 -0.15 0.55 114.38 116.31 2crb h ARG 21 Ca 0.20 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 2crb h ARG 21 Cb 0.41 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.96 2crb h ARG 21 CO -0.48 -0.28 -0.23 0.00 -1.51 0.00 0.00 179.97 177.47 2crb h ALA 22 N 0.14 0.09 0.47 2.80 0.00 -0.96 0.27 119.26 122.06 2crb h ALA 22 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2crb h ALA 22 Cb 0.62 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2crb h ALA 22 CO -0.50 -0.58 -0.44 -0.44 0.00 0.00 0.00 179.25 177.28 2crb h ASP 23 N -0.13 -1.20 -0.74 0.00 5.19 -0.65 0.21 116.42 119.11 2crb h ASP 23 Ca 0.22 0.09 0.21 0.00 -0.62 0.00 0.00 57.03 56.92 2crb h ASP 23 Cb 0.47 0.39 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 2crb h ASP 23 CO -0.54 -0.59 0.52 0.03 -3.12 0.00 0.00 179.24 175.54 2crb h ARG 24 N -0.90 0.05 -0.06 3.56 2.47 -0.51 -0.68 114.38 118.32 2crb h ARG 24 Ca -0.06 -0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.58 2crb h ARG 24 Cb 0.77 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2crb h ARG 24 CO -0.04 0.03 -0.25 -0.07 0.56 0.00 0.00 179.97 180.21 2crb h LEU 25 N 0.05 0.32 -0.40 3.04 3.38 0.43 -3.06 115.31 119.07 2crb h LEU 25 Ca 0.35 -0.64 0.07 0.00 0.09 0.00 0.00 57.88 57.75 2crb h LEU 25 Cb 1.33 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 2crb h LEU 25 CO -0.02 0.91 0.05 0.25 0.09 0.00 0.00 178.44 179.71 2crb h LEU 26 N -0.24 -0.05 -1.35 1.67 5.85 0.91 0.30 115.31 122.39 2crb h LEU 26 Ca -0.01 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2crb h LEU 26 Cb 0.89 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 2crb h LEU 26 CO 0.05 0.01 0.51 0.00 -0.34 0.00 0.00 178.44 178.67 2crb h ALA 27 N 1.32 1.74 -0.11 1.25 0.00 -1.47 0.12 119.26 122.11 2crb h ALA 27 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2crb h ALA 27 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2crb h ALA 27 CO -0.28 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.08 2crb n ALA 28 N -2.44 2.73 -0.03 0.00 0.00 -0.40 -4.82 120.51 115.54 2crb n ALA 28 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2crb n ALA 28 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.17 2.41 3.56 0.00 0.00 0.44 -4.92 105.19 106.85 2crb n GLY 29 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2crb n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crb s LYS 30 N -0.01 2.76 -0.07 1.61 -0.14 0.92 -4.76 119.74 120.06 2crb s LYS 30 Ca 0.00 -0.53 -0.04 0.00 -1.36 0.00 0.00 55.97 54.04 2crb s LYS 30 Cb 0.00 -5.14 -0.01 0.00 -1.68 0.00 0.00 37.83 31.00 2crb s LYS 30 CO 0.00 -3.19 -0.07 1.88 -0.76 0.00 0.00 175.35 173.22 2crb h TYR 31 N 10.84 0.00 -1.02 3.18 0.05 -1.86 -2.90 116.97 125.26 2crb h TYR 31 Ca 0.13 0.00 0.27 0.00 0.05 0.00 0.00 58.73 59.18 2crb h TYR 31 Cb 1.00 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.67 2crb h TYR 31 CO 1.23 0.00 0.70 1.49 -1.05 0.00 0.00 178.16 180.53 2crb h GLU 32 N -0.53 0.22 -0.19 4.88 4.81 -1.92 0.31 114.58 122.16 2crb h GLU 32 Ca 0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2crb h GLU 32 Cb 0.20 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2crb h GLU 32 CO 0.00 0.14 -0.29 0.93 -0.73 0.00 0.00 179.01 179.07 2crb h GLU 33 N 0.22 0.52 -0.15 1.92 3.07 -1.95 -3.14 114.58 115.07 2crb h GLU 33 Ca 0.53 -0.31 -0.13 0.00 -0.50 0.00 0.00 59.36 58.95 2crb h GLU 33 Cb 1.68 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.61 2crb h GLU 33 CO -0.15 0.91 -0.47 0.00 -1.40 0.00 0.00 179.01 177.90 2crb h ALA 34 N 0.60 0.91 0.30 3.43 0.00 -0.72 -2.85 119.26 120.93 2crb h ALA 34 Ca 0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2crb h ALA 34 Cb 0.87 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2crb h ALA 34 CO 0.07 0.65 -0.42 0.82 0.00 0.00 0.00 179.25 180.37 2crb h ILE 35 N 0.31 0.00 -0.78 0.00 2.04 -0.52 -2.59 117.51 115.97 2crb h ILE 35 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2crb h ILE 35 Cb 0.95 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 2crb h ILE 35 CO 0.08 0.00 0.48 0.28 0.00 0.00 0.00 178.15 178.99 2crb h SER 36 N -0.75 0.75 -0.05 1.72 0.02 -1.61 -0.28 113.55 113.36 2crb h SER 36 Ca -0.04 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2crb h SER 36 Cb 0.68 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2crb h SER 36 CO -0.11 0.49 0.44 0.00 -1.14 0.00 0.00 176.83 176.51 2crb n HIS 38 N -2.91 0.99 -0.36 0.00 -0.00 -0.14 -3.77 115.22 109.03 2crb n HIS 38 Ca -0.01 0.43 0.32 0.00 -0.00 0.00 0.00 57.72 58.46 2crb n HIS 38 Cb 0.49 -1.03 0.65 0.00 -0.00 0.00 0.00 29.99 30.11 2crb n HIS 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2crb h ARG 39 N -1.00 0.16 0.06 -0.41 3.08 -0.97 0.13 114.38 115.42 2crb h ARG 39 Ca -0.27 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 2crb h ARG 39 Cb 1.13 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2crb h ARG 39 CO -0.17 0.10 -0.03 0.87 -1.07 0.00 0.00 179.97 179.68 2crb h LYS 40 N 0.16 -0.08 -0.12 0.04 1.57 -1.58 -2.66 116.57 113.90 2crb h LYS 40 Ca 0.64 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.44 2crb h LYS 40 Cb 2.12 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.43 2crb h LYS 40 CO -0.18 0.37 0.01 0.00 -0.57 0.00 0.00 179.45 179.08 2crb h ALA 41 N 0.35 0.11 -0.76 3.86 0.00 -0.92 -2.51 119.26 119.40 2crb h ALA 41 Ca -0.01 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2crb h ALA 41 Cb 0.48 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2crb h ALA 41 CO 0.01 -0.44 0.36 1.79 0.00 0.00 0.00 179.25 180.97 2crb h THR 42 N 0.06 0.76 0.07 0.00 1.35 -1.16 -1.73 112.91 112.25 2crb h THR 42 Ca 0.05 -0.19 0.01 0.00 -0.55 0.00 0.00 66.41 65.74 2crb h THR 42 Cb 0.06 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 66.60 2crb h THR 42 CO -0.08 0.10 -0.15 0.74 -0.25 0.00 0.00 175.52 175.88 2crb h THR 43 N 0.56 0.65 -0.46 6.82 2.02 -1.08 0.14 112.91 121.55 2crb h THR 43 Ca 0.40 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.65 2crb h THR 43 Cb 0.52 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2crb h THR 43 CO -0.34 0.00 0.11 0.22 0.37 0.00 0.00 175.52 175.88 2crb h TYR 44 N -0.29 0.18 0.32 3.16 3.20 -1.00 -1.29 116.97 121.25 2crb h TYR 44 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2crb h TYR 44 Cb 0.31 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2crb h TYR 44 CO -0.17 0.02 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.15 2crb h LEU 45 N 0.25 -0.37 -1.96 2.82 3.38 -1.01 -2.33 115.31 116.09 2crb h LEU 45 Ca 0.23 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.31 2crb h LEU 45 Cb 0.28 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2crb h LEU 45 CO -0.28 -0.18 0.52 0.77 0.09 0.00 0.00 178.44 179.36 2crb h SER 46 N -0.53 0.00 0.16 -0.43 4.64 -0.39 0.26 113.55 117.26 2crb h SER 46 Ca -0.04 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.07 2crb h SER 46 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2crb h SER 46 CO 0.07 0.00 -0.78 -0.33 -0.87 0.00 0.00 176.83 174.92 2crb h GLU 47 N 0.00 0.51 0.75 4.77 4.39 -0.71 -2.86 114.58 121.44 2crb h GLU 47 Ca 0.28 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2crb h GLU 47 Cb 1.31 0.10 0.01 0.00 -0.10 0.00 0.00 28.75 30.07 2crb h GLU 47 CO -0.00 1.07 -0.36 0.00 -1.16 0.00 0.00 179.01 178.56 2crb h ALA 48 N 0.80 -1.01 -0.28 3.43 0.00 -0.12 -2.64 119.26 119.44 2crb h ALA 48 Ca -0.05 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.71 2crb h ALA 48 Cb 1.38 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2crb h ALA 48 CO 0.14 -1.03 0.21 0.00 0.00 0.00 0.00 179.25 178.58 2crb h MET 49 N -1.10 0.00 0.00 0.00 -0.00 -1.60 0.32 114.93 112.56 2crb h MET 49 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2crb h MET 49 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.39 2crb h MET 49 CO 0.17 0.00 0.00 0.87 -0.00 0.00 0.00 176.91 177.95 2crb h LYS 50 N 0.00 0.00 0.00 -0.10 1.57 -1.23 -3.26 116.57 113.55 2crb h LYS 50 Ca 0.13 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.52 2crb h LYS 50 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 2crb h LYS 50 CO -0.00 0.00 -2.36 -0.11 -0.57 0.00 0.00 179.45 176.41 2crb n LEU 51 N -2.77 2.22 -4.74 2.94 0.00 0.87 -4.96 117.00 110.56 2crb n LEU 51 Ca 0.01 0.14 -0.42 0.00 0.00 0.00 0.00 56.01 55.75 2crb n LEU 51 Cb 0.29 -0.76 -0.03 0.00 0.00 0.00 0.00 43.42 42.93 2crb n LEU 51 CO 0.25 0.66 1.10 0.28 0.00 0.00 0.00 177.39 179.68 2crb s THR 52 N -2.46 2.80 -0.13 1.96 -1.32 0.30 -4.93 115.64 111.87 2crb s THR 52 Ca -0.33 0.64 0.09 0.00 -1.21 0.00 0.00 61.69 60.88 2crb s THR 52 Cb 0.11 -3.41 -0.23 0.00 -1.51 0.00 0.00 72.50 67.46 2crb s THR 52 CO 0.47 0.09 0.31 -0.62 -2.21 0.00 0.00 174.62 172.66 2crb n GLU 53 N 2.83 0.68 -0.89 7.08 1.02 -1.26 -4.82 120.64 125.27 2crb n GLU 53 Ca 0.08 0.19 -0.34 0.00 -0.02 0.00 0.00 57.16 57.07 2crb n GLU 53 Cb 0.41 -1.66 0.11 0.00 -0.02 0.00 0.00 31.44 30.27 2crb n GLU 53 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2crb n SER 54 N -3.08 -2.10 -0.06 1.62 7.64 -1.26 -4.97 113.62 111.40 2crb n SER 54 Ca -0.29 0.37 -0.03 0.00 1.01 0.00 0.00 58.87 59.93 2crb n SER 54 Cb 1.07 -1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.07 2crb n SER 54 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2crb h GLU 55 N -1.31 0.00 -0.53 1.43 4.81 -2.00 -3.30 114.58 113.68 2crb h GLU 55 Ca -0.44 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 2crb h GLU 55 Cb 1.29 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 2crb h GLU 55 CO 0.35 0.07 -0.47 1.96 -0.73 0.00 0.00 179.01 180.19 2crb h GLN 56 N -1.00 -0.20 -0.71 1.92 7.50 -1.93 0.15 115.11 120.85 2crb h GLN 56 Ca -0.01 0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.25 2crb h GLN 56 Cb 0.32 0.04 -0.12 0.00 0.05 0.00 0.00 27.48 27.78 2crb h GLN 56 CO -0.01 -0.13 -0.44 0.00 -1.50 0.00 0.00 178.83 176.75 2crb h ALA 57 N -0.07 -0.25 -0.15 3.87 0.00 -1.86 -0.38 119.26 120.42 2crb h ALA 57 Ca 0.09 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2crb h ALA 57 Cb 0.43 1.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 2crb h ALA 57 CO -0.60 -0.80 -0.28 1.25 0.00 0.00 0.00 179.25 178.82 2crb h HIS 58 N -0.16 -0.75 -0.14 0.00 -0.00 -1.31 -2.70 115.15 110.10 2crb h HIS 58 Ca 0.21 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.65 2crb h HIS 58 Cb 0.55 0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 28.25 2crb h HIS 58 CO -0.78 -0.36 -0.54 -0.07 -0.00 0.00 0.00 177.93 176.19 2crb h LEU 59 N -0.34 -1.70 -1.22 0.26 4.07 0.53 0.37 115.31 117.28 2crb h LEU 59 Ca 0.10 0.20 0.24 0.00 0.08 0.00 0.00 57.88 58.51 2crb h LEU 59 Cb 0.50 0.67 -0.03 0.00 1.08 0.00 0.00 40.66 42.87 2crb h LEU 59 CO -0.34 -0.48 1.02 0.28 -1.08 0.00 0.00 178.44 177.84 2crb h SER 60 N -0.58 0.00 0.01 -0.43 0.02 -0.83 0.31 113.55 112.07 2crb h SER 60 Ca 0.04 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.68 2crb h SER 60 Cb 0.68 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 2crb h SER 60 CO -0.44 0.00 -1.67 0.18 -1.14 0.00 0.00 176.83 173.77 2crb n LEU 61 N -3.29 2.01 -0.26 5.07 4.77 0.95 -3.47 117.00 122.77 2crb n LEU 61 Ca 0.18 0.36 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 2crb n LEU 61 Cb 1.28 -0.95 0.44 0.00 -2.33 0.00 0.00 43.42 41.86 2crb n LEU 61 CO 0.23 0.43 1.22 1.05 -1.33 0.00 0.00 177.39 178.99 2crb h GLU 62 N -0.84 0.54 -0.09 3.23 4.11 0.29 0.21 114.58 122.02 2crb h GLU 62 Ca -0.44 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 58.73 2crb h GLU 62 Cb 1.48 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.61 2crb h GLU 62 CO -0.22 0.36 -0.83 -0.07 0.07 0.00 0.00 179.01 178.32 2crb h LEU 63 N 0.56 0.79 0.54 3.06 3.38 -1.17 -3.22 115.31 119.26 2crb h LEU 63 Ca 0.46 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2crb h LEU 63 Cb 0.93 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2crb h LEU 63 CO -0.20 1.34 -0.26 -0.61 0.09 0.00 0.00 178.44 178.80 2crb h GLN 64 N 0.43 -0.70 -1.46 1.13 4.15 -1.07 -3.07 115.11 114.53 2crb h GLN 64 Ca -0.06 0.05 0.42 0.00 0.77 0.00 0.00 58.65 59.83 2crb h GLN 64 Cb 1.45 0.16 -0.06 0.00 0.21 0.00 0.00 27.48 29.24 2crb h GLN 64 CO 0.16 -0.43 1.17 -0.09 -1.93 0.00 0.00 178.83 177.71 2crb h ARG 65 N -1.15 0.00 0.11 1.69 2.43 -0.81 -1.03 114.38 115.62 2crb h ARG 65 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2crb h ARG 65 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2crb h ARG 65 CO 0.12 0.00 -0.20 0.22 -1.51 0.00 0.00 179.97 178.60 2crb h ASP 66 N 0.00 -0.57 -0.48 -3.80 1.82 -1.54 -1.47 116.42 110.38 2crb h ASP 66 Ca 0.69 0.05 0.14 0.00 -0.39 0.00 0.00 57.03 57.53 2crb h ASP 66 Cb 3.04 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 43.23 2crb h ASP 66 CO -0.01 -0.23 0.36 0.77 -1.61 0.00 0.00 179.24 178.52 2crb h SER 67 N -0.33 0.00 0.18 2.28 4.64 -1.32 0.35 113.55 119.35 2crb h SER 67 Ca -0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2crb h SER 67 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2crb h SER 67 CO -0.07 0.00 -0.20 0.45 -0.87 0.00 0.00 176.83 176.13 2crb h HIS 68 N 0.00 0.06 0.01 4.77 3.86 -1.17 -2.70 115.15 119.98 2crb h HIS 68 Ca 0.23 -0.01 -0.36 0.00 -1.16 0.00 0.00 60.37 59.07 2crb h HIS 68 Cb 0.95 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.34 2crb h HIS 68 CO 0.00 0.26 -2.24 -1.33 0.86 0.00 0.00 177.93 175.48 2crb n MET 69 N -4.27 0.68 -0.33 2.45 2.81 0.58 -3.96 117.12 115.08 2crb n MET 69 Ca -0.02 0.11 0.07 0.00 -1.81 0.00 0.00 57.70 56.05 2crb n MET 69 Cb 0.28 -1.59 0.26 0.00 -0.71 0.00 0.00 33.22 31.46 2crb n MET 69 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2crb h LYS 70 N 0.01 0.93 -0.00 0.03 2.10 -0.36 -0.35 116.57 118.93 2crb h LYS 70 Ca -0.49 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 57.93 2crb h LYS 70 Cb 2.11 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 33.21 2crb h LYS 70 CO 0.02 0.62 -0.78 1.96 -2.00 0.00 0.00 179.45 179.27 2crb h GLN 71 N 0.96 0.05 0.66 0.07 1.08 -1.67 -3.14 115.11 113.12 2crb h GLN 71 Ca 0.46 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.58 2crb h GLN 71 Cb 0.45 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2crb h GLN 71 CO -0.22 0.80 -0.32 1.25 -0.95 0.00 0.00 178.83 179.39 2crb h LEU 72 N 0.03 -0.76 -1.97 1.46 5.85 -1.23 0.33 115.31 119.03 2crb h LEU 72 Ca -0.01 -0.01 0.21 0.00 0.84 0.00 0.00 57.88 58.91 2crb h LEU 72 Cb 1.37 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2crb h LEU 72 CO 0.11 -0.40 0.53 -0.07 -0.34 0.00 0.00 178.44 178.26 2crb h LEU 73 N -1.13 0.03 0.00 2.25 3.38 -1.38 -1.40 115.31 117.05 2crb h LEU 73 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2crb h LEU 73 Cb 0.72 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2crb h LEU 73 CO 0.15 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.87 2crb n LEU 74 N -4.33 0.63 -0.63 1.67 4.77 -1.11 -3.79 117.00 114.21 2crb n LEU 74 Ca 0.15 0.45 0.48 0.00 -0.03 0.00 0.00 56.01 57.06 2crb n LEU 74 Cb 0.79 -0.38 0.75 0.00 -2.33 0.00 0.00 43.42 42.25 2crb n LEU 74 CO 0.38 -0.38 1.36 -0.38 -1.33 0.00 0.00 177.39 177.03 2crb n ILE 75 N -1.64 -0.06 0.24 -0.08 5.41 0.09 0.09 119.36 123.42 2crb n ILE 75 Ca 0.00 1.48 -0.16 0.00 1.00 0.00 0.00 62.75 65.07 2crb n ILE 75 Cb 0.00 -2.46 -0.08 0.00 -0.71 0.00 0.00 39.64 36.39 2crb n ILE 75 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2crb h GLN 76 N 0.00 -0.79 -0.56 0.38 4.20 -1.36 -1.26 115.11 115.72 2crb h GLN 76 Ca 0.88 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.63 2crb h GLN 76 Cb 3.39 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 31.33 2crb h GLN 76 CO -0.11 -0.53 0.27 1.05 -0.67 0.00 0.00 178.83 178.84 2crb h GLU 77 N -0.82 0.80 -0.85 1.46 4.11 -0.44 -1.91 114.58 116.94 2crb h GLU 77 Ca -0.03 -0.12 0.19 0.00 0.07 0.00 0.00 59.36 59.47 2crb h GLU 77 Cb 0.74 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2crb h GLU 77 CO -0.08 0.66 0.56 0.00 0.07 0.00 0.00 179.01 180.23 2crb h ARG 78 N 0.75 0.38 0.05 1.06 -0.00 -1.21 -1.47 114.38 113.94 2crb h ARG 78 Ca 0.19 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.98 59.52 2crb h ARG 78 Cb 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 29.97 30.01 2crb h ARG 78 CO -0.02 0.25 -0.53 2.35 0.00 0.00 0.00 179.97 182.02 2crb h TRP 79 N 0.39 0.44 -0.63 3.04 7.01 -0.70 -3.26 115.95 122.25 2crb h TRP 79 Ca 0.43 -0.27 0.11 0.00 2.11 0.00 0.00 58.89 61.26 2crb h TRP 79 Cb 1.07 -0.04 -0.12 0.00 -2.10 0.00 0.00 29.16 27.98 2crb h TRP 79 CO -0.00 1.14 -0.37 0.87 -2.79 0.00 0.00 178.44 177.29 2crb h LYS 80 N -0.39 -0.16 -0.47 2.65 1.57 -0.51 0.42 116.57 119.69 2crb h LYS 80 Ca -0.08 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2crb h LYS 80 Cb 1.32 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.60 2crb h LYS 80 CO 0.10 -0.10 0.07 0.00 -0.57 0.00 0.00 179.45 178.94 2crb h ARG 81 N -0.16 0.19 -0.14 3.15 -0.00 -1.59 0.16 114.38 115.99 2crb h ARG 81 Ca 0.23 -0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.74 2crb h ARG 81 Cb 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 2crb h ARG 81 CO -0.71 0.12 0.28 0.00 0.00 0.00 0.00 179.97 179.66 2crb h ALA 82 N 1.38 1.58 -0.05 0.04 0.00 -0.97 0.25 119.26 121.48 2crb h ALA 82 Ca 0.23 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2crb h ALA 82 Cb 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2crb h ALA 82 CO -0.33 -0.35 -0.04 0.87 0.00 0.00 0.00 179.25 179.40 2crb h LYS 83 N 0.00 -0.04 0.06 0.00 1.79 0.03 -0.62 116.57 117.79 2crb h LYS 83 Ca 0.06 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.19 2crb h LYS 83 Cb 0.63 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.25 2crb h LYS 83 CO -0.00 -0.03 -2.05 2.89 -1.08 0.00 0.00 179.45 179.18 2crb n ARG 84 N -5.15 0.70 0.18 3.15 0.00 -0.64 -3.29 116.66 111.61 2crb n ARG 84 Ca -0.05 0.22 0.10 0.00 -0.00 0.00 0.00 57.85 58.12 2crb n ARG 84 Cb 0.08 -1.68 0.63 0.00 -0.00 0.00 0.00 32.46 31.49 2crb n ARG 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2crb h GLU 85 N 0.03 0.05 0.06 2.89 4.39 -0.59 0.16 114.58 121.57 2crb h GLU 85 Ca -0.43 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.09 2crb h GLU 85 Cb 2.03 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 2crb h GLU 85 CO 0.05 0.04 -0.91 1.49 -1.16 0.00 0.00 179.01 178.51 2crb h GLU 86 N 0.06 0.12 0.00 2.33 4.81 -1.26 -3.14 114.58 117.50 2crb h GLU 86 Ca 0.07 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2crb h GLU 86 Cb 0.19 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2crb h GLU 86 CO -0.01 1.10 0.00 0.00 -0.73 0.00 0.00 179.01 179.37 2crb h ARG 87 N -0.68 0.00 0.01 1.92 2.47 -1.48 -0.77 114.38 115.86 2crb h ARG 87 Ca -0.21 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.43 2crb h ARG 87 Cb 1.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.73 2crb h ARG 87 CO -0.01 0.00 -0.41 -0.07 0.56 0.00 0.00 179.97 180.03 2crb h LEU 88 N 0.00 0.04 0.17 3.04 3.38 -0.79 -3.22 115.31 117.94 2crb h LEU 88 Ca 0.00 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 2crb h LEU 88 Cb 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2crb h LEU 88 CO 0.00 1.17 -0.08 0.07 0.09 0.00 0.00 178.44 179.69 2crb h LYS 89 N -0.93 -0.21 -0.57 1.13 2.10 -1.46 -3.28 116.57 113.35 2crb h LYS 89 Ca -0.11 0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.66 2crb h LYS 89 Cb 1.14 0.05 -0.11 0.00 -0.90 0.00 0.00 32.23 32.41 2crb h LYS 89 CO -0.04 0.18 -0.34 0.00 -2.00 0.00 0.00 179.45 177.25 2crb h ALA 90 N 0.00 -0.08 -4.62 0.07 0.00 -1.34 -3.46 119.26 109.84 2crb h ALA 90 Ca -0.02 0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 2crb h ALA 90 Cb 0.50 0.79 0.11 0.00 0.00 0.00 0.00 17.79 19.18 2crb h ALA 90 CO 0.04 -0.69 -0.52 1.58 0.00 0.00 0.00 179.25 179.66 2crb n HIS 91 N -5.43 -2.06 -0.02 0.00 -0.00 -1.21 -4.94 115.22 101.56 2crb n HIS 91 Ca 0.04 0.75 -0.04 0.00 0.46 0.00 0.00 57.72 58.92 2crb n HIS 91 Cb 0.35 -4.06 -0.03 0.00 -0.12 0.00 0.00 29.99 26.13 2crb n HIS 91 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2crb h SER 92 N -1.91 -0.53 -4.40 0.26 0.02 -1.89 -3.43 113.55 101.67 2crb h SER 92 Ca -0.43 0.07 -0.35 0.00 -0.84 0.00 0.00 61.79 60.24 2crb h SER 92 Cb 1.27 0.21 -0.24 0.00 0.14 0.00 0.00 62.40 63.78 2crb h SER 92 CO 0.41 -0.13 -0.76 -0.83 -1.14 0.00 0.00 176.83 174.37 2crb s GLY 93 N -1.38 0.57 0.66 -3.77 0.00 -1.26 -5.00 107.32 97.14 2crb s GLY 93 Ca -0.04 -0.68 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 2crb s GLY 93 CO 0.18 -0.68 1.11 2.56 0.00 0.00 0.00 173.10 176.27 2crb s PRO 94 N -1.10 2.78 -1.39 2.90 0.04 -1.26 -1.49 135.00 135.48 2crb s PRO 94 Ca -0.03 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 2crb s PRO 94 Cb -0.07 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2crb s PRO 94 CO 0.01 -1.26 1.06 0.45 0.04 0.00 0.00 177.00 177.29 2crb n SER 95 N -2.45 -4.88 -3.10 6.66 2.88 -1.26 -2.37 113.62 109.10 2crb n SER 95 Ca 0.10 -0.65 -0.15 0.00 -1.33 0.00 0.00 58.87 56.85 2crb n SER 95 Cb 0.52 -4.61 0.08 0.00 -0.75 0.00 0.00 64.21 59.44 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 -2.98 -2.25 0.00 -3.46 2.88 -1.24 -5.27 113.62 101.29 2crb n SER 96 Ca -0.05 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 2crb n SER 96 Cb 0.57 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 59.52 2crb n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42