#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 6.67 -0.92 1.61 1.04 -1.26 -4.98 113.70 115.86 2crb s SER 2 Ca 0.00 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.78 2crb s SER 2 Cb 0.00 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.76 2crb s SER 2 CO 0.00 -1.11 1.04 -0.44 0.98 0.00 0.00 173.24 173.71 2crb s SER 3 N 2.22 6.71 0.00 7.02 0.01 -1.26 -4.95 113.70 123.46 2crb s SER 3 Ca 0.45 -2.31 0.00 0.00 1.31 0.00 0.00 55.95 55.39 2crb s SER 3 Cb -0.09 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2crb s SER 3 CO 0.27 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2crb n GLY 4 N 4.93 3.25 3.33 3.44 0.00 -1.26 -5.04 105.19 113.84 2crb n GLY 4 Ca 0.22 -0.97 -0.45 0.00 0.00 0.00 0.00 46.02 44.82 2crb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crb s SER 5 N 0.48 7.22 0.35 1.61 1.04 -1.26 -4.97 113.70 118.17 2crb s SER 5 Ca 0.00 -3.57 -0.16 0.00 0.48 0.00 0.00 55.95 52.70 2crb s SER 5 Cb 0.00 -2.19 0.04 0.00 0.10 0.00 0.00 66.02 63.97 2crb s SER 5 CO 0.00 -0.29 0.73 -0.44 0.98 0.00 0.00 173.24 174.22 2crb s SER 6 N 1.26 -0.01 0.00 7.02 0.01 -1.26 -5.18 113.70 115.54 2crb s SER 6 Ca 0.30 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2crb s SER 6 Cb -0.10 0.79 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2crb s SER 6 CO -0.08 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 172.64 2crb n GLY 7 N -0.51 2.80 2.29 3.44 0.00 -1.26 -4.93 105.19 107.03 2crb n GLY 7 Ca -0.06 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.75 2.52 0.32 1.61 2.00 -1.26 -4.66 117.12 115.90 2crb n MET 8 Ca 0.00 -3.17 0.09 0.00 0.00 0.00 0.00 57.70 54.62 2crb n MET 8 Cb 0.00 -2.24 0.46 0.00 0.00 0.00 0.00 33.22 31.43 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 1.63 0.00 0.00 0.03 4.39 -1.97 -1.17 114.58 117.48 2crb h GLU 9 Ca 0.62 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.32 2crb h GLU 9 Cb 1.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 2crb h GLU 9 CO 1.41 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.67 2crb n GLY 10 N -1.36 -2.22 0.00 -3.84 0.00 -1.26 -2.46 105.19 94.06 2crb n GLY 10 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.68 0.12 -0.00 1.61 -0.04 -1.07 -2.96 135.00 131.97 2crb n PRO 11 Ca 0.00 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.48 2crb n PRO 11 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.33 0.01 1.53 3.38 -1.28 -3.27 115.31 116.00 2crb h LEU 12 Ca 0.00 -0.85 -0.00 0.00 0.09 0.00 0.00 57.88 57.11 2crb h LEU 12 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2crb h LEU 12 CO 0.00 1.15 -0.01 -1.13 0.09 0.00 0.00 178.44 178.54 2crb h ASN 13 N -0.45 -0.01 -0.75 -0.43 -1.24 -1.37 -2.76 115.58 108.57 2crb h ASN 13 Ca -0.07 -0.01 0.14 0.00 0.71 0.00 0.00 56.30 57.07 2crb h ASN 13 Cb 1.25 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 40.16 2crb h ASN 13 CO 0.09 0.00 -0.28 -0.07 -1.29 0.00 0.00 177.43 175.88 2crb h LEU 14 N -0.03 -1.02 -1.26 0.34 3.38 -1.69 0.56 115.31 115.59 2crb h LEU 14 Ca -0.00 0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.27 2crb h LEU 14 Cb 0.03 0.57 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2crb h LEU 14 CO 0.00 -0.28 0.53 0.00 0.09 0.00 0.00 178.44 178.78 2crb h ALA 15 N 1.41 1.59 -0.23 1.53 0.00 -1.57 -2.34 119.26 119.66 2crb h ALA 15 Ca 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2crb h ALA 15 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2crb h ALA 15 CO -0.79 0.29 0.08 0.45 0.00 0.00 0.00 179.25 179.28 2crb h HIS 16 N 0.91 0.36 -1.46 0.00 3.86 0.31 -1.07 115.15 118.06 2crb h HIS 16 Ca 0.34 -0.03 0.43 0.00 -1.16 0.00 0.00 60.37 59.95 2crb h HIS 16 Cb 0.19 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.50 2crb h HIS 16 CO -0.00 0.41 1.04 1.96 0.86 0.00 0.00 177.93 182.21 2crb h GLN 17 N 0.20 0.02 0.00 2.45 4.20 -0.51 -0.72 115.11 120.75 2crb h GLN 17 Ca 0.07 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2crb h GLN 17 Cb 0.22 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2crb h GLN 17 CO -0.00 0.01 -0.89 1.04 -0.67 0.00 0.00 178.83 178.32 2crb n GLN 18 N -4.14 0.50 -0.39 1.46 1.13 -0.98 -3.84 117.38 111.13 2crb n GLN 18 Ca 0.33 0.52 0.34 0.00 -1.94 0.00 0.00 57.00 56.25 2crb n GLN 18 Cb 1.51 -1.69 0.61 0.00 0.11 0.00 0.00 30.24 30.78 2crb n GLN 18 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2crb h SER 19 N -1.00 0.30 -0.38 1.08 0.87 -0.26 1.13 113.55 115.28 2crb h SER 19 Ca -0.16 0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 2crb h SER 19 Cb 0.87 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2crb h SER 19 CO -0.10 -0.30 -0.14 0.08 -0.53 0.00 0.00 176.83 175.84 2crb h ARG 20 N 0.06 0.76 -0.53 2.24 0.11 -1.35 -3.14 114.38 112.54 2crb h ARG 20 Ca 0.84 -0.31 0.05 0.00 0.10 0.00 0.00 59.98 60.66 2crb h ARG 20 Cb 2.40 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 33.39 2crb h ARG 20 CO -0.60 0.93 0.25 -0.09 0.10 0.00 0.00 179.97 180.56 2crb h ARG 21 N 0.56 0.47 -0.75 0.08 2.43 0.12 -2.29 114.38 115.00 2crb h ARG 21 Ca 0.09 -0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.40 2crb h ARG 21 Cb 0.67 -0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 29.99 2crb h ARG 21 CO 0.05 0.31 0.04 0.00 -1.51 0.00 0.00 179.97 178.86 2crb h ALA 22 N 1.30 0.82 0.19 2.80 0.00 -1.35 -1.11 119.26 121.92 2crb h ALA 22 Ca 0.24 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2crb h ALA 22 Cb 0.18 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2crb h ALA 22 CO -0.19 -0.42 -0.36 0.22 0.00 0.00 0.00 179.25 178.51 2crb h ASP 23 N 0.13 -1.04 -1.03 0.00 1.82 -1.46 0.22 116.42 115.06 2crb h ASP 23 Ca 0.42 0.10 0.26 0.00 -0.39 0.00 0.00 57.03 57.41 2crb h ASP 23 Cb 0.73 0.37 -0.10 0.00 0.68 0.00 0.00 39.33 41.02 2crb h ASP 23 CO -0.64 -0.42 0.66 0.03 -1.61 0.00 0.00 179.24 177.27 2crb h ARG 24 N -0.59 0.41 -0.30 0.28 2.47 -1.35 0.14 114.38 115.43 2crb h ARG 24 Ca -0.02 -0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.58 2crb h ARG 24 Cb 0.56 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2crb h ARG 24 CO -0.13 0.27 -0.17 -0.07 0.56 0.00 0.00 179.97 180.43 2crb h LEU 25 N 0.42 0.66 -0.53 3.04 3.38 -0.27 -3.11 115.31 118.91 2crb h LEU 25 Ca 0.59 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2crb h LEU 25 Cb 1.45 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2crb h LEU 25 CO -0.31 0.94 0.28 0.25 0.09 0.00 0.00 178.44 179.69 2crb h LEU 26 N 0.39 0.41 -1.60 1.67 5.85 0.22 0.23 115.31 122.48 2crb h LEU 26 Ca 0.06 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.93 2crb h LEU 26 Cb 0.70 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2crb h LEU 26 CO 0.05 0.28 0.46 0.00 -0.34 0.00 0.00 178.44 178.89 2crb h ALA 27 N 1.27 2.06 -0.35 1.25 0.00 -1.31 0.24 119.26 122.42 2crb h ALA 27 Ca 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2crb h ALA 27 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2crb h ALA 27 CO -0.15 -0.24 0.07 0.00 0.00 0.00 0.00 179.25 178.93 2crb n ALA 28 N -2.52 3.43 -1.88 0.00 0.00 -0.55 -4.86 120.51 114.14 2crb n ALA 28 Ca 0.12 -1.13 -0.21 0.00 0.00 0.00 0.00 53.44 52.22 2crb n ALA 28 Cb 0.46 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 0.20 1.08 1.90 0.00 0.00 0.83 -4.85 105.19 104.35 2crb n GLY 29 Ca 0.18 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.61 1.93 -0.12 1.61 4.76 0.71 -4.73 118.16 119.71 2crb n LYS 30 Ca -0.22 -2.10 -0.03 0.00 -2.87 0.00 0.00 58.31 53.09 2crb n LYS 30 Cb 0.68 -1.82 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 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 -0.49 -0.13 -0.34 2.13 4.02 -1.26 0.14 117.16 121.24 2crb n TYR 31 Ca 0.41 0.36 -0.02 0.00 -0.01 0.00 0.00 57.90 58.64 2crb n TYR 31 Cb 1.11 -0.44 0.03 0.00 -0.02 0.00 0.00 39.34 40.01 2crb n TYR 31 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2crb h GLU 32 N 0.00 -0.04 -0.91 -0.72 4.81 -1.92 0.71 114.58 116.51 2crb h GLU 32 Ca 0.05 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.49 2crb h GLU 32 Cb 0.12 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.39 2crb h GLU 32 CO -0.27 -0.03 0.44 0.93 -0.73 0.00 0.00 179.01 179.36 2crb h GLU 33 N -0.04 0.46 -0.07 1.92 4.39 -0.68 0.22 114.58 120.78 2crb h GLU 33 Ca 0.31 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.81 2crb h GLU 33 Cb 0.58 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2crb h GLU 33 CO -0.92 0.30 -0.70 0.00 -1.16 0.00 0.00 179.01 176.53 2crb h ALA 34 N 1.69 0.65 -0.14 3.43 0.00 0.12 -2.84 119.26 122.17 2crb h ALA 34 Ca 0.56 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2crb h ALA 34 Cb 1.04 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2crb h ALA 34 CO -0.49 0.77 -0.23 0.82 0.00 0.00 0.00 179.25 180.11 2crb h ILE 35 N 0.24 0.44 0.00 0.00 2.04 0.24 -0.17 117.51 120.29 2crb h ILE 35 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 2crb h ILE 35 Cb 1.27 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2crb h ILE 35 CO 0.12 0.00 -0.23 0.77 0.00 0.00 0.00 178.15 178.81 2crb h SER 36 N -0.29 0.00 -0.18 1.72 4.64 -1.51 -2.83 113.55 115.11 2crb h SER 36 Ca 0.10 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 2crb h SER 36 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2crb h SER 36 CO -0.30 0.23 -0.32 0.00 -0.87 0.00 0.00 176.83 175.57 2crb h HIS 38 N 0.58 0.00 -0.56 0.00 -0.00 -0.90 -3.21 115.15 111.05 2crb h HIS 38 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.34 2crb h HIS 38 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.21 2crb h HIS 38 CO 0.04 0.69 -0.03 0.00 -0.00 0.00 0.00 177.93 178.63 2crb h ARG 39 N 0.00 0.99 0.10 2.45 3.08 -1.32 -2.30 114.38 117.38 2crb h ARG 39 Ca -0.01 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 2crb h ARG 39 Cb 1.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2crb h ARG 39 CO 0.09 0.99 -0.05 0.87 -1.07 0.00 0.00 179.97 180.81 2crb h LYS 40 N 0.91 -0.13 0.27 0.04 1.57 -1.52 -2.49 116.57 115.21 2crb h LYS 40 Ca 0.16 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2crb h LYS 40 Cb 0.57 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2crb h LYS 40 CO 0.03 0.08 -0.37 0.00 -0.57 0.00 0.00 179.45 178.62 2crb h ALA 41 N 0.55 -0.75 -0.36 3.86 0.00 -1.55 -2.71 119.26 118.29 2crb h ALA 41 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2crb h ALA 41 Cb 0.27 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2crb h ALA 41 CO 0.02 -0.97 -0.52 1.79 0.00 0.00 0.00 179.25 179.58 2crb h THR 42 N -0.70 0.03 -0.95 0.00 1.35 -1.44 0.60 112.91 111.80 2crb h THR 42 Ca -0.01 0.00 0.30 0.00 -0.55 0.00 0.00 66.41 66.15 2crb h THR 42 Cb 0.67 0.03 -0.16 0.00 -1.73 0.00 0.00 68.15 66.96 2crb h THR 42 CO -0.13 0.00 0.32 0.74 -0.25 0.00 0.00 175.52 176.20 2crb h THR 43 N -0.41 0.19 0.30 6.82 2.02 -1.30 0.19 112.91 120.72 2crb h THR 43 Ca 0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2crb h THR 43 Cb 0.61 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2crb h THR 43 CO -0.57 0.03 -0.14 0.22 0.37 0.00 0.00 175.52 175.43 2crb h TYR 44 N 0.15 -0.37 -0.26 3.16 3.20 -0.64 -2.83 116.97 119.38 2crb h TYR 44 Ca 0.66 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.58 2crb h TYR 44 Cb 1.48 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.80 2crb h TYR 44 CO -0.21 -0.04 -0.21 -0.07 -1.64 0.00 0.00 178.16 175.99 2crb h LEU 45 N -0.76 -0.67 -1.63 2.82 3.38 0.65 0.55 115.31 119.65 2crb h LEU 45 Ca -0.04 0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.27 2crb h LEU 45 Cb 0.50 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2crb h LEU 45 CO 0.07 -0.24 0.59 -1.28 0.09 0.00 0.00 178.44 177.67 2crb h SER 46 N -0.20 0.30 -0.18 -0.43 0.87 -0.77 0.04 113.55 113.19 2crb h SER 46 Ca 0.14 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 2crb h SER 46 Cb 0.42 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2crb h SER 46 CO -0.38 0.12 -0.43 -0.33 -0.53 0.00 0.00 176.83 175.29 2crb h GLU 47 N 0.30 0.61 -0.50 2.24 4.39 -0.67 -3.06 114.58 117.88 2crb h GLU 47 Ca 0.45 -0.41 0.05 0.00 0.34 0.00 0.00 59.36 59.79 2crb h GLU 47 Cb 1.27 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.90 2crb h GLU 47 CO -0.13 1.03 -0.52 0.00 -1.16 0.00 0.00 179.01 178.22 2crb h ALA 48 N 0.58 -0.69 -0.66 3.43 0.00 0.16 0.22 119.26 122.29 2crb h ALA 48 Ca -0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2crb h ALA 48 Cb 1.03 1.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 2crb h ALA 48 CO 0.09 -0.97 0.44 0.00 0.00 0.00 0.00 179.25 178.81 2crb h MET 49 N -0.28 0.65 0.00 0.00 -0.00 -1.63 0.26 114.93 113.92 2crb h MET 49 Ca 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 2crb h MET 49 Cb 0.51 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2crb h MET 49 CO -0.62 0.43 0.00 1.63 -0.00 0.00 0.00 176.91 178.35 2crb n LYS 50 N -4.48 0.09 -0.01 -0.10 5.02 0.65 -3.69 118.16 115.65 2crb n LYS 50 Ca 0.09 0.23 -0.03 0.00 -2.02 0.00 0.00 58.31 56.58 2crb n LYS 50 Cb 0.23 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 2crb n LYS 50 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2crb n LEU 51 N -1.38 1.33 -4.63 -0.35 7.94 0.64 -5.01 117.00 115.54 2crb n LEU 51 Ca 0.04 0.20 -0.60 0.00 -1.11 0.00 0.00 56.01 54.54 2crb n LEU 51 Cb 0.11 -0.48 -0.08 0.00 0.53 0.00 0.00 43.42 43.51 2crb n LEU 51 CO 0.10 -0.56 0.94 1.07 -1.11 0.00 0.00 177.39 177.83 2crb n THR 52 N -3.77 0.06 -0.21 1.96 5.66 0.29 -4.81 114.28 113.45 2crb n THR 52 Ca -0.05 -0.01 0.02 0.00 -3.05 0.00 0.00 64.05 60.96 2crb n THR 52 Cb 0.19 -0.53 0.24 0.00 -1.55 0.00 0.00 70.33 68.67 2crb n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2crb n GLU 53 N 3.13 3.23 -4.32 1.09 0.28 -1.26 -4.89 120.64 117.90 2crb n GLU 53 Ca 0.24 -1.96 -0.26 0.00 -0.16 0.00 0.00 57.16 55.02 2crb n GLU 53 Cb 0.07 -1.95 -0.09 0.00 1.43 0.00 0.00 31.44 30.90 2crb n GLU 53 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2crb s SER 54 N -0.48 4.15 -0.04 -1.84 0.15 -1.26 -5.08 113.70 109.30 2crb s SER 54 Ca 0.34 -0.65 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 2crb s SER 54 Cb 0.27 -0.65 -0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2crb s SER 54 CO 0.10 0.09 -0.01 -0.08 1.20 0.00 0.00 173.24 174.53 2crb h GLU 55 N 2.76 0.00 -0.87 5.44 4.81 -2.00 -3.20 114.58 121.52 2crb h GLU 55 Ca -0.46 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 58.91 2crb h GLU 55 Cb 1.21 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 2crb h GLU 55 CO 0.55 0.00 -0.34 1.04 -0.73 0.00 0.00 179.01 179.53 2crb n GLN 56 N -2.97 -0.20 0.00 1.92 1.13 -1.26 0.09 117.38 116.09 2crb n GLN 56 Ca -0.00 1.34 -0.10 0.00 -1.94 0.00 0.00 57.00 56.29 2crb n GLN 56 Cb 0.01 -1.99 -0.04 0.00 0.11 0.00 0.00 30.24 28.34 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 1.21 -0.33 -1.05 -1.58 0.00 -1.98 0.07 119.26 115.60 2crb h ALA 57 Ca 0.30 0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.53 2crb h ALA 57 Cb 0.52 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2crb h ALA 57 CO -0.86 -0.77 0.71 1.25 0.00 0.00 0.00 179.25 179.58 2crb h HIS 58 N -0.37 0.34 0.50 0.00 -0.00 -0.34 -1.98 115.15 113.30 2crb h HIS 58 Ca 0.10 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 2crb h HIS 58 Cb 0.52 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2crb h HIS 58 CO -0.39 0.04 -0.24 -0.07 -0.00 0.00 0.00 177.93 177.27 2crb h LEU 59 N 0.21 -0.57 -1.16 0.26 3.38 -0.16 0.29 115.31 117.57 2crb h LEU 59 Ca 0.55 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.69 2crb h LEU 59 Cb 1.74 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2crb h LEU 59 CO -0.15 -0.28 0.88 0.28 0.09 0.00 0.00 178.44 179.26 2crb h SER 60 N -0.92 0.00 0.00 -0.43 0.02 -0.88 0.21 113.55 111.56 2crb h SER 60 Ca -0.07 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 2crb h SER 60 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2crb h SER 60 CO 0.11 0.00 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.14 2crb h LEU 61 N 0.00 0.00 -1.41 5.07 3.38 -1.29 -3.07 115.31 117.99 2crb h LEU 61 Ca 0.25 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.16 2crb h LEU 61 Cb 2.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 2crb h LEU 61 CO -0.00 0.92 0.73 1.05 0.09 0.00 0.00 178.44 181.23 2crb h GLU 62 N -1.00 0.00 0.00 1.13 4.11 0.11 0.18 114.58 119.11 2crb h GLU 62 Ca -0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2crb h GLU 62 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2crb h GLU 62 CO -0.05 0.00 -0.34 -0.07 0.07 0.00 0.00 179.01 178.61 2crb h LEU 63 N 0.00 0.00 -1.17 3.06 3.38 -1.44 -3.29 115.31 115.85 2crb h LEU 63 Ca 0.21 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.24 2crb h LEU 63 Cb 1.66 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.33 2crb h LEU 63 CO -0.00 0.72 0.60 -0.61 0.09 0.00 0.00 178.44 179.24 2crb h GLN 64 N -1.00 0.76 0.03 1.13 5.75 -1.12 -1.90 115.11 118.76 2crb h GLN 64 Ca -0.03 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2crb h GLN 64 Cb 0.40 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2crb h GLN 64 CO -0.02 0.50 -0.14 -0.09 -2.65 0.00 0.00 178.83 176.44 2crb h ARG 65 N 0.78 -0.24 -0.54 1.69 2.43 -0.86 -2.96 114.38 114.68 2crb h ARG 65 Ca 0.49 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.72 2crb h ARG 65 Cb 0.71 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 2crb h ARG 65 CO -0.25 -0.16 -0.32 -3.47 -1.51 0.00 0.00 179.97 174.26 2crb n ASP 66 N -5.27 -0.57 0.11 -3.80 2.03 -0.71 -0.38 116.55 107.95 2crb n ASP 66 Ca -0.06 1.14 -0.15 0.00 0.52 0.00 0.00 54.79 56.25 2crb n ASP 66 Cb 0.19 -0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 40.30 2crb n ASP 66 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2crb h SER 67 N 0.00 -1.31 -1.35 1.67 0.02 -1.62 0.14 113.55 111.10 2crb h SER 67 Ca 0.09 0.15 0.39 0.00 -0.84 0.00 0.00 61.79 61.57 2crb h SER 67 Cb 0.22 0.49 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 2crb h SER 67 CO -0.51 -0.50 1.19 1.41 -1.14 0.00 0.00 176.83 177.28 2crb n HIS 68 N -5.47 0.00 -0.09 3.45 8.25 0.48 0.15 115.22 122.00 2crb n HIS 68 Ca -0.07 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.20 2crb n HIS 68 Cb 0.39 -0.34 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 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 -3.37 0.68 -0.28 -0.41 2.00 -0.04 -3.96 117.12 111.74 2crb n MET 69 Ca 0.30 0.19 0.13 0.00 0.00 0.00 0.00 57.70 58.33 2crb n MET 69 Cb 1.59 -1.58 0.39 0.00 0.00 0.00 0.00 33.22 33.62 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 0.00 0.64 -0.02 0.03 2.10 0.40 -1.77 116.57 117.95 2crb h LYS 70 Ca -0.53 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.07 2crb h LYS 70 Cb 1.94 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 33.12 2crb h LYS 70 CO -0.04 0.42 -0.02 1.96 -2.00 0.00 0.00 179.45 179.77 2crb h GLN 71 N 0.66 0.05 -0.43 0.07 1.08 -1.34 -2.68 115.11 112.51 2crb h GLN 71 Ca 0.48 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.72 2crb h GLN 71 Cb 0.83 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.17 2crb h GLN 71 CO -0.23 0.54 -0.40 1.25 -0.95 0.00 0.00 178.83 179.04 2crb h LEU 72 N -0.43 -1.35 -1.96 1.46 5.85 -1.46 0.56 115.31 117.96 2crb h LEU 72 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2crb h LEU 72 Cb 0.53 0.61 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2crb h LEU 72 CO 0.01 -0.35 0.03 -0.07 -0.34 0.00 0.00 178.44 177.71 2crb h LEU 73 N -0.29 0.04 -0.41 2.25 3.38 -1.51 0.15 115.31 118.92 2crb h LEU 73 Ca 0.15 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2crb h LEU 73 Cb 0.57 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2crb h LEU 73 CO -0.59 0.03 -0.79 -0.07 0.09 0.00 0.00 178.44 177.12 2crb h LEU 74 N 0.05 0.22 0.02 1.67 3.38 -0.05 -3.20 115.31 117.40 2crb h LEU 74 Ca 0.02 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2crb h LEU 74 Cb 0.00 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.69 2crb h LEU 74 CO -0.00 0.92 -0.31 0.40 0.09 0.00 0.00 178.44 179.53 2crb h ILE 75 N 0.11 1.57 -0.57 1.22 2.04 0.11 -2.92 117.51 119.07 2crb h ILE 75 Ca -0.03 -2.08 0.11 0.00 1.00 0.00 0.00 64.86 63.86 2crb h ILE 75 Cb 1.38 2.89 -0.11 0.00 -0.74 0.00 0.00 36.82 40.24 2crb h ILE 75 CO 0.12 0.57 -0.26 1.56 0.00 0.00 0.00 178.15 180.14 2crb h GLN 76 N -0.52 -0.11 0.40 2.37 4.20 -1.10 0.21 115.11 120.54 2crb h GLN 76 Ca -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2crb h GLN 76 Cb 1.11 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2crb h GLN 76 CO 0.06 -0.08 -0.19 1.05 -0.67 0.00 0.00 178.83 179.00 2crb h GLU 77 N -0.12 -0.51 0.00 1.46 4.11 -1.67 -1.56 114.58 116.29 2crb h GLU 77 Ca 0.25 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2crb h GLU 77 Cb 0.52 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2crb h GLU 77 CO -0.64 -0.29 0.22 0.54 0.07 0.00 0.00 179.01 178.91 2crb n ARG 78 N -5.28 0.10 -0.06 1.06 5.12 -0.75 -1.02 116.66 115.83 2crb n ARG 78 Ca -0.11 0.59 -0.22 0.00 -1.93 0.00 0.00 57.85 56.18 2crb n ARG 78 Cb 0.25 -2.06 -0.12 0.00 -1.16 0.00 0.00 32.46 29.37 2crb n ARG 78 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 2crb n TRP 79 N -2.11 1.07 -0.31 -1.55 -0.00 -0.01 -4.17 117.44 110.36 2crb n TRP 79 Ca -0.01 0.35 0.03 0.00 -0.00 0.00 0.00 57.50 57.87 2crb n TRP 79 Cb 0.25 -1.12 0.18 0.00 -0.00 0.00 0.00 31.31 30.61 2crb n TRP 79 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2crb h LYS 80 N -0.56 0.84 -0.78 5.87 2.10 -0.14 -1.54 116.57 122.36 2crb h LYS 80 Ca -0.40 -0.05 0.14 0.00 -2.00 0.00 0.00 60.65 58.34 2crb h LYS 80 Cb 1.62 -0.19 -0.09 0.00 -0.90 0.00 0.00 32.23 32.67 2crb h LYS 80 CO -0.10 0.55 0.34 0.00 -2.00 0.00 0.00 179.45 178.25 2crb h ARG 81 N 0.86 0.49 -0.28 0.07 -0.00 -1.63 0.10 114.38 113.99 2crb h ARG 81 Ca 0.42 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.82 2crb h ARG 81 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.21 2crb h ARG 81 CO -0.24 0.32 -0.04 0.00 0.00 0.00 0.00 179.97 180.01 2crb h ALA 82 N 1.54 1.42 -0.94 0.04 0.00 -1.45 0.27 119.26 120.14 2crb h ALA 82 Ca 0.43 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2crb h ALA 82 Cb 0.62 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2crb h ALA 82 CO -0.38 0.41 0.61 0.87 0.00 0.00 0.00 179.25 180.75 2crb h LYS 83 N 0.42 1.15 0.09 0.00 1.79 -0.56 0.30 116.57 119.76 2crb h LYS 83 Ca 0.09 -0.07 -0.32 0.00 -2.18 0.00 0.00 60.65 58.17 2crb h LYS 83 Cb 0.34 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 2crb h LYS 83 CO 0.01 0.76 -1.72 0.07 -1.08 0.00 0.00 179.45 177.49 2crb h ARG 84 N 1.18 0.19 0.17 3.15 0.11 -1.21 -3.35 114.38 114.63 2crb h ARG 84 Ca 0.38 -0.33 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 2crb h ARG 84 Cb 0.01 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.21 2crb h ARG 84 CO -0.12 0.99 -0.08 0.93 0.10 0.00 0.00 179.97 181.78 2crb h GLU 85 N 0.05 -0.22 -0.81 0.08 4.39 -0.26 -2.47 114.58 115.34 2crb h GLU 85 Ca -0.31 0.02 0.33 0.00 0.34 0.00 0.00 59.36 59.74 2crb h GLU 85 Cb 2.02 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 30.58 2crb h GLU 85 CO 0.12 -0.15 0.44 -1.91 -1.16 0.00 0.00 179.01 176.35 2crb n GLU 86 N -2.96 -0.05 -0.04 2.33 2.13 0.10 0.18 120.64 122.34 2crb n GLU 86 Ca -0.03 1.09 -0.13 0.00 0.66 0.00 0.00 57.16 58.75 2crb n GLU 86 Cb 0.09 -1.96 -0.08 0.00 0.27 0.00 0.00 31.44 29.76 2crb n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2crb h ARG 87 N 0.00 0.20 0.71 5.31 2.47 -1.69 -2.01 114.38 119.37 2crb h ARG 87 Ca 0.67 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 59.27 2crb h ARG 87 Cb 1.80 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.13 2crb h ARG 87 CO -0.60 0.56 -0.34 -0.07 0.56 0.00 0.00 179.97 180.09 2crb h LEU 88 N -0.17 -0.80 -2.29 3.04 4.07 0.24 -2.33 115.31 117.07 2crb h LEU 88 Ca 0.02 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.03 2crb h LEU 88 Cb 0.51 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.45 2crb h LEU 88 CO 0.01 -0.54 0.21 0.07 -1.08 0.00 0.00 178.44 177.12 2crb h LYS 89 N -1.00 0.00 -6.38 1.13 2.10 -1.07 -3.42 116.57 107.94 2crb h LYS 89 Ca -0.10 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.03 2crb h LYS 89 Cb 0.74 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 2crb h LYS 89 CO 0.16 0.00 -0.22 0.00 -2.00 0.00 0.00 179.45 177.39 2crb s ALA 90 N -4.42 3.71 -1.06 0.07 0.00 -0.75 -4.99 121.76 114.31 2crb s ALA 90 Ca -0.04 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 2crb s ALA 90 Cb 0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 2crb s ALA 90 CO 0.46 0.32 1.85 -1.58 0.00 0.00 0.00 175.76 176.81 2crb s HIS 91 N -1.99 2.08 -0.02 0.00 2.46 -1.26 -4.85 115.29 111.70 2crb s HIS 91 Ca 0.42 0.10 -0.29 0.00 0.47 0.00 0.00 55.06 55.75 2crb s HIS 91 Cb -0.11 -4.21 0.08 0.00 -0.13 0.00 0.00 32.58 28.22 2crb s HIS 91 CO 0.29 -1.60 0.73 0.45 -2.47 0.00 0.00 174.74 172.14 2crb s SER 92 N 6.63 -0.58 0.00 9.88 0.15 -1.26 -5.12 113.70 123.40 2crb s SER 92 Ca 0.64 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2crb s SER 92 Cb -0.02 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2crb s SER 92 CO 0.04 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2crb n GLY 93 N 0.53 -1.82 3.77 9.45 0.00 -1.26 -4.79 105.19 111.07 2crb n GLY 93 Ca -0.17 0.88 -0.31 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 2.30 1.07 1.61 0.04 -1.26 -5.00 135.00 133.76 2crb s PRO 94 Ca 0.00 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 2crb s PRO 94 Cb 0.00 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2crb s PRO 94 CO 0.00 -1.61 0.25 -1.13 0.04 0.00 0.00 177.00 174.55 2crb n SER 95 N -3.43 -2.15 -4.11 6.66 3.41 -1.26 -5.03 113.62 107.71 2crb n SER 95 Ca 0.09 0.03 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 2crb n SER 95 Cb 0.53 -1.08 -0.15 0.00 -0.26 0.00 0.00 64.21 63.25 2crb n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2crb s SER 96 N -1.97 1.69 0.00 4.04 1.04 -1.26 -5.34 113.70 111.91 2crb s SER 96 Ca 0.58 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2crb s SER 96 Cb -0.16 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2crb s SER 96 CO 0.66 0.18 0.04 0.61 0.98 0.00 0.00 173.24 175.71