#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 6.36 -0.29 1.61 1.04 -1.26 -4.90 113.70 116.26 2crb s SER 2 Ca 0.00 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.19 2crb s SER 2 Cb 0.00 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.70 2crb s SER 2 CO 0.00 -1.60 0.83 -0.94 0.98 0.00 0.00 173.24 172.51 2crb s SER 3 N 4.36 -0.77 -1.07 7.02 1.04 -1.26 -5.09 113.70 117.93 2crb s SER 3 Ca 0.40 1.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.94 2crb s SER 3 Cb -0.04 1.56 0.30 0.00 0.10 0.00 0.00 66.02 67.94 2crb s SER 3 CO 0.00 -0.17 1.39 0.61 0.98 0.00 0.00 173.24 176.05 2crb n GLY 4 N 4.47 4.98 2.96 7.32 0.00 -1.26 -4.98 105.19 118.68 2crb n GLY 4 Ca -0.16 -2.66 -0.10 0.00 0.00 0.00 0.00 46.02 43.11 2crb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crb s SER 5 N -1.20 0.17 -0.59 1.61 0.15 -1.26 -5.11 113.70 107.46 2crb s SER 5 Ca 0.31 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.44 2crb s SER 5 Cb 0.02 0.09 0.14 0.00 -1.71 0.00 0.00 66.02 64.56 2crb s SER 5 CO 0.07 -0.23 0.57 -0.44 1.20 0.00 0.00 173.24 174.40 2crb s SER 6 N -1.10 6.27 0.00 5.45 0.01 -1.26 -4.95 113.70 118.12 2crb s SER 6 Ca -0.12 -1.88 0.00 0.00 1.31 0.00 0.00 55.95 55.26 2crb s SER 6 Cb -0.07 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2crb s SER 6 CO -0.01 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.40 2crb n GLY 7 N 5.08 0.22 2.50 3.44 0.00 -1.26 -4.90 105.19 110.26 2crb n GLY 7 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2crb n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2crb n MET 8 N 0.00 2.94 -0.09 1.61 2.00 -1.26 -4.74 117.12 117.58 2crb n MET 8 Ca 0.00 -3.64 0.26 0.00 0.00 0.00 0.00 57.70 54.32 2crb n MET 8 Cb 0.00 -2.28 0.70 0.00 0.00 0.00 0.00 33.22 31.64 2crb n MET 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2crb h GLU 9 N 2.43 0.00 0.00 0.03 4.39 -1.94 -1.97 114.58 117.52 2crb h GLU 9 Ca 0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2crb h GLU 9 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2crb h GLU 9 CO 1.33 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.59 2crb n GLY 10 N -1.62 -2.04 0.10 -3.84 0.00 -1.26 -1.17 105.19 95.36 2crb n GLY 10 Ca 0.16 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.52 2crb n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crb n PRO 11 N -0.38 0.14 -0.06 1.61 -0.04 -1.20 -3.03 135.00 132.05 2crb n PRO 11 Ca 0.00 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2crb n PRO 11 Cb 0.00 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 2crb n PRO 11 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2crb h LEU 12 N 0.00 0.38 -0.49 1.53 3.38 -1.20 -3.06 115.31 115.85 2crb h LEU 12 Ca 0.00 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 2crb h LEU 12 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2crb h LEU 12 CO 0.00 0.74 -0.10 -1.13 0.09 0.00 0.00 178.44 178.04 2crb h ASN 13 N 0.03 0.94 -0.97 -0.43 -0.73 -1.05 -2.91 115.58 110.46 2crb h ASN 13 Ca 0.03 -0.35 0.19 0.00 1.87 0.00 0.00 56.30 58.04 2crb h ASN 13 Cb 0.61 -0.26 -0.09 0.00 0.27 0.00 0.00 38.32 38.85 2crb h ASN 13 CO 0.03 1.07 0.61 -0.07 -0.37 0.00 0.00 177.43 178.71 2crb h LEU 14 N 0.79 0.64 -0.79 0.34 3.38 -1.57 0.25 115.31 118.36 2crb h LEU 14 Ca 0.13 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 2crb h LEU 14 Cb 0.65 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2crb h LEU 14 CO 0.04 0.24 -0.57 0.00 0.09 0.00 0.00 178.44 178.25 2crb h ALA 15 N 1.62 0.98 -0.39 1.53 0.00 -1.41 -3.17 119.26 118.43 2crb h ALA 15 Ca 0.53 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2crb h ALA 15 Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2crb h ALA 15 CO -0.29 0.71 0.14 0.45 0.00 0.00 0.00 179.25 180.26 2crb h HIS 16 N 0.09 0.60 -0.58 0.00 3.86 -0.41 -1.70 115.15 117.02 2crb h HIS 16 Ca -0.00 -0.05 0.10 0.00 -1.16 0.00 0.00 60.37 59.25 2crb h HIS 16 Cb 1.03 -0.18 -0.11 0.00 1.06 0.00 0.00 27.41 29.21 2crb h HIS 16 CO 0.01 0.55 -0.36 1.96 0.86 0.00 0.00 177.93 180.96 2crb h GLN 17 N 0.48 -0.17 -0.47 2.45 4.20 -1.40 -0.47 115.11 119.73 2crb h GLN 17 Ca 0.13 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 2crb h GLN 17 Cb 0.22 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2crb h GLN 17 CO -0.01 -0.12 -0.02 1.96 -0.67 0.00 0.00 178.83 179.98 2crb h GLN 18 N -0.18 0.84 -0.96 1.46 1.08 -1.65 -3.03 115.11 112.67 2crb h GLN 18 Ca 0.22 -0.28 0.31 0.00 -1.45 0.00 0.00 58.65 57.45 2crb h GLN 18 Cb 0.56 -0.07 -0.16 0.00 -0.05 0.00 0.00 27.48 27.75 2crb h GLN 18 CO -0.68 0.90 0.33 0.66 -0.95 0.00 0.00 178.83 179.09 2crb h SER 19 N 0.69 0.07 -0.57 1.46 4.64 -0.13 0.62 113.55 120.33 2crb h SER 19 Ca 0.13 0.23 0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2crb h SER 19 Cb 0.53 0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 2crb h SER 19 CO 0.03 -0.27 0.36 0.03 -0.87 0.00 0.00 176.83 176.11 2crb h ARG 20 N 0.14 0.70 -0.08 4.77 3.08 -1.29 -2.96 114.38 118.73 2crb h ARG 20 Ca 0.67 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.72 2crb h ARG 20 Cb 1.53 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 31.36 2crb h ARG 20 CO -0.74 0.46 -0.46 -0.09 -1.07 0.00 0.00 179.97 178.08 2crb h ARG 21 N 0.72 -0.54 -1.03 0.04 2.43 0.15 0.49 114.38 116.64 2crb h ARG 21 Ca 0.22 0.04 0.29 0.00 -0.81 0.00 0.00 59.98 59.72 2crb h ARG 21 Cb -0.02 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 29.52 2crb h ARG 21 CO -0.08 -0.36 0.62 0.00 -1.51 0.00 0.00 179.97 178.64 2crb h ALA 22 N -0.08 1.99 0.33 2.80 0.00 -1.36 0.93 119.26 123.88 2crb h ALA 22 Ca 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2crb h ALA 22 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2crb h ALA 22 CO -0.38 -0.51 -0.16 -0.44 0.00 0.00 0.00 179.25 177.76 2crb h ASP 23 N 0.43 -0.38 -0.73 0.00 3.32 -0.97 -1.71 116.42 116.39 2crb h ASP 23 Ca 0.68 -0.17 0.19 0.00 0.02 0.00 0.00 57.03 57.74 2crb h ASP 23 Cb 1.52 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 41.13 2crb h ASP 23 CO -0.48 0.05 0.51 0.03 -1.72 0.00 0.00 179.24 177.62 2crb h ARG 24 N -0.89 0.15 -0.07 3.56 2.47 0.29 -0.11 114.38 119.78 2crb h ARG 24 Ca -0.05 -0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.45 2crb h ARG 24 Cb 0.53 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2crb h ARG 24 CO 0.07 0.10 -0.81 -0.07 0.56 0.00 0.00 179.97 179.83 2crb h LEU 25 N 0.15 0.82 -1.20 3.04 3.38 -0.81 -3.13 115.31 117.57 2crb h LEU 25 Ca 0.35 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2crb h LEU 25 Cb 1.17 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2crb h LEU 25 CO -0.06 1.39 0.55 0.25 0.09 0.00 0.00 178.44 180.67 2crb h LEU 26 N 0.33 0.90 -1.29 1.67 5.85 -0.07 0.35 115.31 123.05 2crb h LEU 26 Ca -0.08 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 2crb h LEU 26 Cb 1.46 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2crb h LEU 26 CO 0.16 0.62 -0.29 0.00 -0.34 0.00 0.00 178.44 178.60 2crb h ALA 27 N 1.51 1.41 -0.02 1.25 0.00 -1.41 -1.94 119.26 120.05 2crb h ALA 27 Ca 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2crb h ALA 27 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2crb h ALA 27 CO -0.10 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2crb n ALA 28 N -2.48 2.58 -0.86 0.00 0.00 -0.46 -4.90 120.51 114.39 2crb n ALA 28 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2crb n ALA 28 Cb 0.36 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.16 0.57 2.73 0.00 0.00 -0.59 -4.96 105.19 104.10 2crb n GLY 29 Ca 0.19 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.86 3.65 0.00 1.61 4.76 0.11 -4.81 118.16 120.62 2crb n LYS 30 Ca 0.00 -3.24 0.00 0.00 -2.87 0.00 0.00 58.31 52.20 2crb n LYS 30 Cb 0.00 -2.93 0.00 0.00 -1.84 0.00 0.00 35.03 30.26 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 3.89 0.00 -0.32 2.13 4.01 -1.26 -2.37 117.16 123.23 2crb n TYR 31 Ca 0.49 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 58.16 2crb n TYR 31 Cb 0.34 -0.47 -0.05 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.17 -0.31 -0.31 -0.72 0.00 -1.26 0.14 120.64 116.01 2crb n GLU 32 Ca 0.00 1.20 0.14 0.00 0.00 0.00 0.00 57.16 58.49 2crb n GLU 32 Cb 0.00 -1.77 0.29 0.00 0.00 0.00 0.00 31.44 29.96 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 0.10 -0.27 5.31 4.39 -1.94 0.30 114.58 122.47 2crb h GLU 33 Ca 0.16 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 2crb h GLU 33 Cb 0.36 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2crb h GLU 33 CO -0.75 0.07 -0.27 0.00 -1.16 0.00 0.00 179.01 176.90 2crb h ALA 34 N 1.86 0.39 -0.48 3.43 0.00 0.16 -2.76 119.26 121.87 2crb h ALA 34 Ca 0.57 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2crb h ALA 34 Cb 1.17 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 2crb h ALA 34 CO -0.77 0.39 -0.41 0.82 0.00 0.00 0.00 179.25 179.28 2crb h ILE 35 N 0.38 0.12 0.91 0.00 2.04 0.17 -2.14 117.51 118.98 2crb h ILE 35 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2crb h ILE 35 Cb 0.83 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2crb h ILE 35 CO 0.07 0.00 -0.43 0.77 0.00 0.00 0.00 178.15 178.55 2crb h SER 36 N -0.28 -1.03 -1.16 1.72 4.64 -1.45 -2.65 113.55 113.34 2crb h SER 36 Ca 0.16 0.03 0.38 0.00 -0.47 0.00 0.00 61.79 61.89 2crb h SER 36 Cb 0.57 0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.84 2crb h SER 36 CO -0.62 -0.70 0.78 0.00 -0.87 0.00 0.00 176.83 175.43 2crb h HIS 38 N 0.00 -0.08 -0.22 0.00 -0.00 -1.06 -3.16 115.15 110.63 2crb h HIS 38 Ca 0.67 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 61.10 2crb h HIS 38 Cb 2.32 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 29.75 2crb h HIS 38 CO -0.00 0.46 0.73 0.00 -0.00 0.00 0.00 177.93 179.11 2crb h ARG 39 N -0.92 0.00 0.00 2.45 3.08 0.13 0.28 114.38 119.39 2crb h ARG 39 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2crb h ARG 39 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2crb h ARG 39 CO 0.01 0.00 -0.03 0.87 -1.07 0.00 0.00 179.97 179.75 2crb h LYS 40 N 0.00 0.00 -0.15 0.04 6.56 -1.42 -3.24 116.57 118.36 2crb h LYS 40 Ca 0.10 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.74 2crb h LYS 40 Cb 1.55 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 33.16 2crb h LYS 40 CO -0.00 0.21 -0.17 0.00 -2.06 0.00 0.00 179.45 177.43 2crb h ALA 41 N -0.79 -0.09 -0.91 3.86 0.00 -0.96 -1.67 119.26 118.71 2crb h ALA 41 Ca -0.00 0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.19 2crb h ALA 41 Cb 0.23 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 2crb h ALA 41 CO -0.00 -0.62 0.41 1.79 0.00 0.00 0.00 179.25 180.82 2crb h THR 42 N -0.21 0.47 0.67 0.00 1.35 -1.42 -0.13 112.91 113.64 2crb h THR 42 Ca 0.10 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 65.79 2crb h THR 42 Cb 0.36 0.03 0.01 0.00 -1.73 0.00 0.00 68.15 66.82 2crb h THR 42 CO -0.27 0.07 -0.32 0.74 -0.25 0.00 0.00 175.52 175.49 2crb h THR 43 N 0.40 0.30 -0.47 6.82 2.02 -1.34 -1.19 112.91 119.45 2crb h THR 43 Ca 0.57 -0.13 0.09 0.00 0.77 0.00 0.00 66.41 67.72 2crb h THR 43 Cb 1.09 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 2crb h THR 43 CO -0.53 0.02 -0.03 0.22 0.37 0.00 0.00 175.52 175.56 2crb h TYR 44 N -0.99 -0.09 -0.74 3.16 3.20 -0.80 0.22 116.97 120.94 2crb h TYR 44 Ca -0.09 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2crb h TYR 44 Cb 0.71 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 2crb h TYR 44 CO -0.01 -0.13 0.49 -0.07 -1.64 0.00 0.00 178.16 176.79 2crb h LEU 45 N 0.08 0.75 -1.27 2.82 3.38 -1.00 0.14 115.31 120.21 2crb h LEU 45 Ca 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2crb h LEU 45 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2crb h LEU 45 CO -0.42 0.51 -0.08 -1.28 0.09 0.00 0.00 178.44 177.26 2crb h SER 46 N 0.87 0.00 1.58 -0.43 0.87 0.28 -2.61 113.55 114.11 2crb h SER 46 Ca 0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2crb h SER 46 Cb 0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2crb h SER 46 CO -0.09 0.08 -0.42 -0.33 -0.53 0.00 0.00 176.83 175.54 2crb h GLU 47 N 0.00 0.00 0.36 2.24 5.08 0.30 -3.26 114.58 119.29 2crb h GLU 47 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2crb h GLU 47 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2crb h GLU 47 CO 0.01 0.06 -0.17 0.00 -1.00 0.00 0.00 179.01 177.91 2crb h ALA 48 N 1.93 -0.53 -0.30 3.43 0.00 -1.02 -3.22 119.26 119.54 2crb h ALA 48 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2crb h ALA 48 Cb 1.06 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2crb h ALA 48 CO 0.01 -0.50 0.35 0.00 0.00 0.00 0.00 179.25 179.11 2crb h MET 49 N -1.00 0.00 0.00 0.00 -0.00 -1.71 0.31 114.93 112.53 2crb h MET 49 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2crb h MET 49 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 2crb h MET 49 CO 0.08 0.00 0.00 1.63 -0.00 0.00 0.00 176.91 178.62 2crb n LYS 50 N -3.71 0.09 0.01 -0.10 5.02 -1.22 -3.79 118.16 114.46 2crb n LYS 50 Ca 0.05 0.24 -0.01 0.00 -2.02 0.00 0.00 58.31 56.57 2crb n LYS 50 Cb 0.50 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.34 0.50 -4.45 -0.35 4.32 0.11 -5.04 117.00 110.75 2crb n LEU 51 Ca 0.04 0.07 -0.56 0.00 -0.02 0.00 0.00 56.01 55.53 2crb n LEU 51 Cb 0.08 -0.21 -0.07 0.00 -1.62 0.00 0.00 43.42 41.60 2crb n LEU 51 CO 0.07 -0.58 0.43 1.07 -1.22 0.00 0.00 177.39 177.17 2crb n THR 52 N -2.96 0.46 -0.92 -5.08 5.66 -1.04 -4.85 114.28 105.55 2crb n THR 52 Ca -0.01 -0.12 0.08 0.00 -3.05 0.00 0.00 64.05 60.96 2crb n THR 52 Cb 0.03 0.00 0.30 0.00 -1.55 0.00 0.00 70.33 69.11 2crb n THR 52 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2crb n GLU 53 N 1.38 3.53 -3.99 1.09 -0.58 -1.26 -4.89 120.64 115.91 2crb n GLU 53 Ca 0.19 -2.91 -0.31 0.00 -0.42 0.00 0.00 57.16 53.72 2crb n GLU 53 Cb 0.12 -1.95 -0.05 0.00 -0.57 0.00 0.00 31.44 28.99 2crb n GLU 53 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2crb s SER 54 N -1.53 5.89 -0.04 1.62 0.15 -1.26 -5.05 113.70 113.48 2crb s SER 54 Ca 0.45 0.11 -0.16 0.00 0.70 0.00 0.00 55.95 57.05 2crb s SER 54 Cb 0.35 -1.69 -0.09 0.00 -1.71 0.00 0.00 66.02 62.88 2crb s SER 54 CO 0.12 0.17 0.67 -0.08 1.20 0.00 0.00 173.24 175.32 2crb h GLU 55 N 3.17 -0.51 0.10 5.44 4.81 -2.00 -2.98 114.58 122.61 2crb h GLU 55 Ca -0.46 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2crb h GLU 55 Cb 1.16 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 2crb h GLU 55 CO 0.70 -0.30 -0.47 1.96 -0.73 0.00 0.00 179.01 180.16 2crb h GLN 56 N -1.12 -0.64 -0.88 1.92 4.20 -1.99 -0.62 115.11 115.98 2crb h GLN 56 Ca -0.05 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.81 2crb h GLN 56 Cb 0.44 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.23 2crb h GLN 56 CO 0.09 -0.43 -0.48 0.00 -0.67 0.00 0.00 178.83 177.34 2crb h ALA 57 N -0.65 -0.25 0.06 3.87 0.00 -1.96 0.69 119.26 121.01 2crb h ALA 57 Ca -0.00 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2crb h ALA 57 Cb 0.67 1.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2crb h ALA 57 CO -0.26 -0.82 -0.33 1.25 0.00 0.00 0.00 179.25 179.09 2crb h HIS 58 N -0.07 -0.92 -0.48 0.00 -0.00 -1.30 -2.52 115.15 109.86 2crb h HIS 58 Ca 0.23 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.72 2crb h HIS 58 Cb 0.52 0.40 -0.10 0.00 -0.00 0.00 0.00 27.41 28.23 2crb h HIS 58 CO -0.89 -0.43 -0.27 -0.07 -0.00 0.00 0.00 177.93 176.27 2crb h LEU 59 N -0.52 -0.93 -1.93 0.26 4.07 0.51 0.45 115.31 117.21 2crb h LEU 59 Ca 0.05 0.19 0.33 0.00 0.08 0.00 0.00 57.88 58.53 2crb h LEU 59 Cb 0.58 0.47 -0.05 0.00 1.08 0.00 0.00 40.66 42.74 2crb h LEU 59 CO -0.24 -0.28 0.82 0.28 -1.08 0.00 0.00 178.44 177.94 2crb h SER 60 N -0.17 0.04 0.00 -0.43 0.02 -0.52 -1.08 113.55 111.42 2crb h SER 60 Ca 0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2crb h SER 60 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2crb h SER 60 CO -0.58 0.01 -0.21 -0.07 -1.14 0.00 0.00 176.83 174.84 2crb h LEU 61 N 0.04 0.00 -1.14 5.07 3.38 0.01 -3.07 115.31 119.60 2crb h LEU 61 Ca 0.55 0.00 0.43 0.00 0.09 0.00 0.00 57.88 58.95 2crb h LEU 61 Cb 2.14 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.74 2crb h LEU 61 CO -0.04 0.49 0.69 -1.84 0.09 0.00 0.00 178.44 177.83 2crb n GLU 62 N -4.09 -0.04 0.15 1.13 0.28 0.39 -0.21 120.64 118.25 2crb n GLU 62 Ca -0.03 1.25 -0.07 0.00 -0.16 0.00 0.00 57.16 58.15 2crb n GLU 62 Cb 0.11 -2.35 -0.03 0.00 1.43 0.00 0.00 31.44 30.59 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 -0.40 -1.68 -1.84 3.38 -1.36 -2.98 115.31 110.42 2crb h LEU 63 Ca 0.82 0.01 0.28 0.00 0.09 0.00 0.00 57.88 59.08 2crb h LEU 63 Cb 2.44 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 43.22 2crb h LEU 63 CO -0.58 0.03 0.70 -0.61 0.09 0.00 0.00 178.44 178.07 2crb h GLN 64 N -1.10 0.20 -0.54 1.13 5.75 -0.71 0.33 115.11 120.18 2crb h GLN 64 Ca -0.05 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.34 2crb h GLN 64 Cb 0.36 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2crb h GLN 64 CO 0.08 0.14 -0.06 -0.09 -2.65 0.00 0.00 178.83 176.24 2crb h ARG 65 N 0.21 0.97 -0.43 1.69 2.43 -0.63 -3.24 114.38 115.38 2crb h ARG 65 Ca 0.53 -0.33 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2crb h ARG 65 Cb 1.70 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 31.12 2crb h ARG 65 CO -0.14 0.99 -0.31 0.22 -1.51 0.00 0.00 179.97 179.22 2crb h ASP 66 N 0.88 -1.12 -0.12 -3.80 3.58 -0.18 -1.81 116.42 113.85 2crb h ASP 66 Ca 0.15 0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.79 2crb h ASP 66 Cb 0.60 0.48 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 2crb h ASP 66 CO 0.04 -0.16 -0.51 0.77 -2.88 0.00 0.00 179.24 176.50 2crb h SER 67 N -0.07 -1.61 -1.46 2.28 4.64 -1.64 0.24 113.55 115.92 2crb h SER 67 Ca 0.07 0.20 0.42 0.00 -0.47 0.00 0.00 61.79 62.01 2crb h SER 67 Cb 0.26 0.63 -0.06 0.00 -0.31 0.00 0.00 62.40 62.92 2crb h SER 67 CO -0.45 -0.48 1.18 1.41 -0.87 0.00 0.00 176.83 177.63 2crb n HIS 68 N -5.44 0.00 -0.09 4.77 8.25 -0.72 0.15 115.22 122.14 2crb n HIS 68 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 2crb n HIS 68 Cb 0.38 -0.37 -0.13 0.00 1.12 0.00 0.00 29.99 31.00 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 -3.45 0.68 -0.25 -0.41 2.00 0.48 -3.96 117.12 112.22 2crb n MET 69 Ca 0.33 0.20 0.03 0.00 0.00 0.00 0.00 57.70 58.25 2crb n MET 69 Cb 1.62 -1.58 0.16 0.00 0.00 0.00 0.00 33.22 33.42 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 -0.04 0.51 -0.63 0.03 2.10 0.44 -0.93 116.57 118.05 2crb h LYS 70 Ca -0.53 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.00 2crb h LYS 70 Cb 1.92 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 33.11 2crb h LYS 70 CO -0.05 0.34 0.06 1.96 -2.00 0.00 0.00 179.45 179.76 2crb h GLN 71 N 0.53 1.07 -0.15 0.07 1.08 -1.28 -2.78 115.11 113.64 2crb h GLN 71 Ca 0.37 -0.30 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2crb h GLN 71 Cb 0.47 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 2crb h GLN 71 CO -0.32 1.00 -0.08 1.25 -0.95 0.00 0.00 178.83 179.72 2crb h LEU 72 N 0.99 -0.28 -1.87 1.46 5.85 -1.32 0.33 115.31 120.48 2crb h LEU 72 Ca 0.19 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2crb h LEU 72 Cb 0.48 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2crb h LEU 72 CO 0.02 -0.11 0.08 -0.07 -0.34 0.00 0.00 178.44 178.02 2crb h LEU 73 N -0.08 0.15 0.04 2.25 3.38 -1.30 0.50 115.31 120.26 2crb h LEU 73 Ca 0.09 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 2crb h LEU 73 Cb 0.20 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.94 2crb h LEU 73 CO -0.20 0.11 -1.01 -0.07 0.09 0.00 0.00 178.44 177.37 2crb h LEU 74 N 0.18 0.81 0.24 1.67 3.38 -0.95 -3.24 115.31 117.40 2crb h LEU 74 Ca 0.05 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 57.23 2crb h LEU 74 Cb -0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2crb h LEU 74 CO -0.01 1.49 -0.12 0.40 0.09 0.00 0.00 178.44 180.30 2crb h ILE 75 N 0.22 0.81 -0.83 1.22 2.04 0.21 -2.54 117.51 118.64 2crb h ILE 75 Ca -0.14 -0.67 0.12 0.00 1.00 0.00 0.00 64.86 65.17 2crb h ILE 75 Cb 1.69 1.17 -0.13 0.00 -0.74 0.00 0.00 36.82 38.81 2crb h ILE 75 CO 0.20 0.14 -0.43 1.56 0.00 0.00 0.00 178.15 179.61 2crb h GLN 76 N -0.69 -0.08 -0.36 2.37 4.20 -1.05 0.40 115.11 119.90 2crb h GLN 76 Ca -0.03 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2crb h GLN 76 Cb 0.48 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2crb h GLN 76 CO 0.05 -0.06 0.16 1.05 -0.67 0.00 0.00 178.83 179.37 2crb h GLU 77 N -0.09 0.33 -0.37 1.46 4.11 -1.60 -1.44 114.58 116.98 2crb h GLU 77 Ca 0.25 -0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.69 2crb h GLU 77 Cb 0.55 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2crb h GLU 77 CO -0.86 0.22 0.25 0.00 0.07 0.00 0.00 179.01 178.68 2crb h ARG 78 N 0.34 0.35 0.39 1.06 2.47 -0.28 -2.78 114.38 115.93 2crb h ARG 78 Ca 0.16 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 2crb h ARG 78 Cb 0.09 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2crb h ARG 78 CO -0.13 0.23 -0.19 2.35 0.56 0.00 0.00 179.97 182.80 2crb h TRP 79 N 0.36 -0.49 -0.91 3.04 7.01 0.69 -2.58 115.95 123.07 2crb h TRP 79 Ca 0.15 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.39 2crb h TRP 79 Cb 0.15 0.16 -0.16 0.00 -2.10 0.00 0.00 29.16 27.22 2crb h TRP 79 CO -0.00 -0.16 0.16 0.87 -2.79 0.00 0.00 178.44 176.52 2crb h LYS 80 N -0.89 0.11 -0.71 2.65 1.57 -1.11 0.65 116.57 118.84 2crb h LYS 80 Ca -0.05 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2crb h LYS 80 Cb 0.55 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2crb h LYS 80 CO 0.09 0.07 0.18 0.00 -0.57 0.00 0.00 179.45 179.22 2crb h ARG 81 N 0.11 1.13 0.00 3.15 3.08 -1.50 -2.40 114.38 117.95 2crb h ARG 81 Ca 0.57 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2crb h ARG 81 Cb 1.19 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 2crb h ARG 81 CO -0.76 0.99 -0.15 0.00 -1.07 0.00 0.00 179.97 178.99 2crb h ALA 82 N 1.09 1.53 -0.68 0.04 0.00 0.66 -1.77 119.26 120.12 2crb h ALA 82 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2crb h ALA 82 Cb 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2crb h ALA 82 CO 0.00 0.18 0.44 0.87 0.00 0.00 0.00 179.25 180.75 2crb h LYS 83 N 0.00 0.90 0.00 0.00 1.79 -0.59 -1.01 116.57 117.66 2crb h LYS 83 Ca -0.00 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2crb h LYS 83 Cb 0.30 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2crb h LYS 83 CO 0.02 0.61 -0.39 -0.09 -1.08 0.00 0.00 179.45 178.51 2crb h ARG 84 N 0.93 0.00 -0.97 3.15 9.65 -1.48 -3.29 114.38 122.37 2crb h ARG 84 Ca 0.25 0.00 0.31 0.00 -1.10 0.00 0.00 59.98 59.44 2crb h ARG 84 Cb -0.09 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 28.34 2crb h ARG 84 CO -0.05 0.14 0.47 0.93 2.80 0.00 0.00 179.97 184.25 2crb h GLU 85 N -1.00 0.25 -0.50 0.20 4.39 -1.39 0.92 114.58 117.45 2crb h GLU 85 Ca -0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2crb h GLU 85 Cb 0.44 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2crb h GLU 85 CO -0.02 0.17 0.11 1.49 -1.16 0.00 0.00 179.01 179.60 2crb h GLU 86 N 0.26 0.77 0.00 2.33 4.81 -1.35 -1.15 114.58 120.25 2crb h GLU 86 Ca 0.70 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2crb h GLU 86 Cb 1.57 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.83 2crb h GLU 86 CO -0.64 0.70 0.00 0.54 -0.73 0.00 0.00 179.01 178.88 2crb n ARG 87 N -4.28 0.04 -0.12 1.92 5.12 0.31 -1.84 116.66 117.81 2crb n ARG 87 Ca 0.03 0.26 -0.24 0.00 -1.93 0.00 0.00 57.85 55.97 2crb n ARG 87 Cb 0.22 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.93 2crb n ARG 87 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2crb n LEU 88 N -1.46 1.93 0.00 0.55 4.32 -0.49 -4.28 117.00 117.56 2crb n LEU 88 Ca 0.04 0.37 0.07 0.00 -0.02 0.00 0.00 56.01 56.47 2crb n LEU 88 Cb 0.14 -0.85 0.38 0.00 -1.62 0.00 0.00 43.42 41.47 2crb n LEU 88 CO 0.11 0.36 0.71 2.29 -1.22 0.00 0.00 177.39 179.64 2crb n LYS 89 N -4.34 0.22 -2.12 3.23 2.85 -0.88 -4.76 118.16 112.36 2crb n LYS 89 Ca -0.42 0.14 -0.42 0.00 -1.05 0.00 0.00 58.31 56.56 2crb n LYS 89 Cb 0.77 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.62 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 -2.57 3.62 -0.97 0.58 0.00 -0.77 -4.86 121.76 116.79 2crb s ALA 90 Ca 0.14 1.18 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 2crb s ALA 90 Cb 0.10 -3.55 -0.19 0.00 0.00 0.00 0.00 23.12 19.48 2crb s ALA 90 CO 0.23 -0.64 2.23 -1.58 0.00 0.00 0.00 175.76 175.99 2crb s HIS 91 N 0.87 1.19 -0.18 0.00 2.46 -1.26 -4.77 115.29 113.60 2crb s HIS 91 Ca 0.64 2.20 -0.29 0.00 0.47 0.00 0.00 55.06 58.08 2crb s HIS 91 Cb -0.39 -3.37 0.11 0.00 -0.13 0.00 0.00 32.58 28.81 2crb s HIS 91 CO 0.33 -1.00 0.93 0.45 -2.47 0.00 0.00 174.74 172.97 2crb s SER 92 N 9.41 -0.47 0.11 9.88 0.15 -1.26 -5.19 113.70 126.33 2crb s SER 92 Ca 0.86 0.64 0.01 0.00 0.70 0.00 0.00 55.95 58.15 2crb s SER 92 Cb -0.08 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2crb s SER 92 CO 0.14 -0.34 0.10 0.61 1.20 0.00 0.00 173.24 174.95 2crb n GLY 93 N 1.24 2.69 3.77 9.45 0.00 -1.26 -5.07 105.19 116.02 2crb n GLY 93 Ca -0.13 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 2crb n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crb s PRO 94 N -2.46 2.94 -0.06 1.61 0.04 -1.26 -5.07 135.00 130.75 2crb s PRO 94 Ca 0.08 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 2crb s PRO 94 Cb -0.01 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.58 2crb s PRO 94 CO 0.05 -1.15 0.18 -1.54 0.04 0.00 0.00 177.00 174.58 2crb s SER 95 N -2.39 -0.16 -0.30 6.66 1.04 -1.26 -5.14 113.70 112.15 2crb s SER 95 Ca 0.68 0.28 -0.09 0.00 0.48 0.00 0.00 55.95 57.31 2crb s SER 95 Cb -0.21 0.35 0.17 0.00 0.10 0.00 0.00 66.02 66.42 2crb s SER 95 CO 0.38 -0.11 0.79 -0.94 0.98 0.00 0.00 173.24 174.34 2crb s SER 96 N -0.12 -0.96 0.00 7.02 1.04 -1.26 -5.36 113.70 114.07 2crb s SER 96 Ca -0.02 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2crb s SER 96 Cb -0.02 1.92 0.00 0.00 0.10 0.00 0.00 66.02 68.02 2crb s SER 96 CO 0.00 -0.18 0.35 0.61 0.98 0.00 0.00 173.24 175.01