#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crb n SER 2 N 0.00 0.81 -4.41 1.61 7.64 -1.26 -4.97 113.62 113.04 2crb n SER 2 Ca 0.00 0.12 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 2crb n SER 2 Cb 0.00 -0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 2crb n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crb s SER 3 N -5.71 6.01 -1.01 6.43 0.15 -1.26 -5.01 113.70 113.29 2crb s SER 3 Ca -0.05 -1.08 -0.06 0.00 0.70 0.00 0.00 55.95 55.46 2crb s SER 3 Cb 0.01 -2.13 0.25 0.00 -1.71 0.00 0.00 66.02 62.45 2crb s SER 3 CO 0.07 -0.50 0.96 -0.83 1.20 0.00 0.00 173.24 174.14 2crb s GLY 4 N 1.93 3.16 0.12 9.45 0.00 -1.26 -4.89 107.32 115.83 2crb s GLY 4 Ca 0.04 -3.84 -0.21 0.00 0.00 0.00 0.00 44.72 40.71 2crb s GLY 4 CO 0.08 1.27 1.69 1.48 0.00 0.00 0.00 173.10 177.62 2crb h SER 5 N 6.40 -0.27 -5.47 1.64 4.64 -2.02 -3.46 113.55 115.01 2crb h SER 5 Ca 0.17 0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 2crb h SER 5 Cb 0.85 0.15 -0.12 0.00 -0.31 0.00 0.00 62.40 62.96 2crb h SER 5 CO 0.94 -0.11 -0.41 -0.94 -0.87 0.00 0.00 176.83 175.44 2crb s SER 6 N -5.14 0.15 0.34 4.97 1.04 -1.26 -5.13 113.70 108.66 2crb s SER 6 Ca -0.14 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2crb s SER 6 Cb 0.10 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2crb s SER 6 CO 0.68 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2crb n GLY 7 N -0.34 -2.27 2.76 7.32 0.00 -1.26 -4.51 105.19 106.90 2crb n GLY 7 Ca 0.01 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.76 4.53 -1.62 1.61 2.00 -1.26 -4.96 117.12 113.66 2crb n MET 8 Ca -0.02 -4.74 -0.34 0.00 0.00 0.00 0.00 57.70 52.60 2crb n MET 8 Cb 0.51 -2.37 -0.07 0.00 0.00 0.00 0.00 33.22 31.29 2crb n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2crb n GLU 9 N -0.14 1.37 0.00 0.03 1.02 -1.26 -3.72 120.64 117.93 2crb n GLU 9 Ca 0.40 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.43 2crb n GLU 9 Cb 0.31 -3.38 0.00 0.00 -0.02 0.00 0.00 31.44 28.35 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 5.32 -2.20 0.00 0.62 0.00 -1.26 -3.29 105.19 104.38 2crb n GLY 10 Ca 0.46 0.71 0.07 0.00 0.00 0.00 0.00 46.02 47.26 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 -1.28 0.17 0.03 1.61 -0.04 -1.25 -2.81 135.00 131.43 2crb n PRO 11 Ca 0.00 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 2crb n PRO 11 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.47 -0.40 1.53 3.38 -1.93 -3.34 115.31 115.02 2crb h LEU 12 Ca 0.00 -0.89 -0.15 0.00 0.09 0.00 0.00 57.88 56.94 2crb h LEU 12 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2crb h LEU 12 CO 0.00 1.64 -0.32 -1.13 0.09 0.00 0.00 178.44 178.72 2crb h ASN 13 N -0.20 0.98 -0.83 -0.43 -1.24 -1.82 -3.11 115.58 108.93 2crb h ASN 13 Ca -0.29 -0.44 0.18 0.00 0.71 0.00 0.00 56.30 56.45 2crb h ASN 13 Cb 1.84 -0.27 -0.11 0.00 0.73 0.00 0.00 38.32 40.51 2crb h ASN 13 CO 0.11 1.21 0.35 -0.07 -1.29 0.00 0.00 177.43 177.74 2crb h LEU 14 N 0.75 0.31 -1.42 0.34 3.38 -1.69 0.51 115.31 117.48 2crb h LEU 14 Ca 0.07 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2crb h LEU 14 Cb 0.91 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2crb h LEU 14 CO 0.08 0.06 -0.26 0.00 0.09 0.00 0.00 178.44 178.42 2crb h ALA 15 N 1.63 1.23 -0.13 1.53 0.00 -1.65 -3.00 119.26 118.86 2crb h ALA 15 Ca 0.49 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2crb h ALA 15 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2crb h ALA 15 CO -0.46 0.32 -0.38 0.45 0.00 0.00 0.00 179.25 179.17 2crb h HIS 16 N 0.00 0.64 -0.75 0.00 3.86 -0.00 -2.69 115.15 116.20 2crb h HIS 16 Ca -0.00 -0.25 0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2crb h HIS 16 Cb 0.59 -0.11 -0.13 0.00 1.06 0.00 0.00 27.41 28.82 2crb h HIS 16 CO 0.00 1.00 -0.34 1.96 0.86 0.00 0.00 177.93 181.41 2crb h GLN 17 N 0.10 -0.09 0.17 2.45 4.20 -1.09 -0.33 115.11 120.52 2crb h GLN 17 Ca -0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2crb h GLN 17 Cb 1.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2crb h GLN 17 CO 0.08 -0.06 -0.08 1.96 -0.67 0.00 0.00 178.83 180.06 2crb h GLN 18 N -0.09 -0.22 -1.43 1.46 1.08 -1.65 -2.97 115.11 111.29 2crb h GLN 18 Ca 0.29 0.01 0.44 0.00 -1.45 0.00 0.00 58.65 57.94 2crb h GLN 18 Cb 0.57 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.95 2crb h GLN 18 CO -0.80 0.11 0.97 1.03 -0.95 0.00 0.00 178.83 179.19 2crb h SER 19 N -0.57 0.16 -0.30 1.46 0.87 -0.93 0.92 113.55 115.16 2crb h SER 19 Ca -0.02 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 2crb h SER 19 Cb 0.43 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2crb h SER 19 CO 0.04 -0.08 -0.29 0.03 -0.53 0.00 0.00 176.83 175.99 2crb h ARG 20 N 0.08 0.73 -0.45 2.24 3.08 -0.94 -3.21 114.38 115.91 2crb h ARG 20 Ca 0.79 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 2crb h ARG 20 Cb 2.72 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.76 2crb h ARG 20 CO -0.24 1.00 0.24 -0.09 -1.07 0.00 0.00 179.97 179.80 2crb h ARG 21 N 0.48 0.63 -0.93 0.04 2.43 0.89 -2.88 114.38 115.04 2crb h ARG 21 Ca 0.05 -0.08 0.24 0.00 -0.81 0.00 0.00 59.98 59.38 2crb h ARG 21 Cb 0.86 -0.12 -0.17 0.00 -0.42 0.00 0.00 29.97 30.12 2crb h ARG 21 CO 0.07 0.51 -0.02 0.00 -1.51 0.00 0.00 179.97 179.02 2crb h ALA 22 N 1.09 1.00 0.23 2.80 0.00 -1.34 -1.21 119.26 121.82 2crb h ALA 22 Ca 0.16 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2crb h ALA 22 Cb 0.07 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2crb h ALA 22 CO -0.02 -0.50 -0.24 0.22 0.00 0.00 0.00 179.25 178.71 2crb h ASP 23 N 0.03 -0.65 -1.39 0.00 3.58 -1.59 0.89 116.42 117.30 2crb h ASP 23 Ca 0.54 0.05 0.45 0.00 0.42 0.00 0.00 57.03 58.48 2crb h ASP 23 Cb 1.03 0.21 -0.12 0.00 1.72 0.00 0.00 39.33 42.18 2crb h ASP 23 CO -0.87 -0.31 0.91 0.03 -2.88 0.00 0.00 179.24 176.12 2crb h ARG 24 N -0.46 0.07 -0.07 0.28 2.47 -1.30 0.87 114.38 116.24 2crb h ARG 24 Ca -0.03 -0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 2crb h ARG 24 Cb 0.40 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2crb h ARG 24 CO -0.03 0.05 -0.61 -0.07 0.56 0.00 0.00 179.97 179.87 2crb h LEU 25 N 0.07 0.65 -1.01 3.04 3.38 -0.60 -3.11 115.31 117.75 2crb h LEU 25 Ca 0.82 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2crb h LEU 25 Cb 2.69 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 43.19 2crb h LEU 25 CO -0.36 1.24 0.66 0.25 0.09 0.00 0.00 178.44 180.32 2crb h LEU 26 N 0.12 1.13 -1.73 1.67 5.85 0.32 0.16 115.31 122.83 2crb h LEU 26 Ca -0.06 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2crb h LEU 26 Cb 1.27 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2crb h LEU 26 CO 0.12 0.80 -0.17 0.00 -0.34 0.00 0.00 178.44 178.85 2crb h ALA 27 N 1.39 1.47 -0.19 1.25 0.00 -1.19 -1.11 119.26 120.88 2crb h ALA 27 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2crb h ALA 27 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2crb h ALA 27 CO -0.10 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2crb n ALA 28 N -2.40 2.51 -0.96 0.00 0.00 -0.45 -4.89 120.51 114.32 2crb n ALA 28 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2crb n ALA 28 Cb 0.26 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.13 0.51 2.29 0.00 0.00 -0.42 -4.93 105.19 103.77 2crb n GLY 29 Ca 0.16 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.96 2.22 -0.34 1.61 4.76 0.43 -4.74 118.16 119.14 2crb n LYS 30 Ca 0.00 -2.17 -0.04 0.00 -2.87 0.00 0.00 58.31 53.23 2crb n LYS 30 Cb 0.00 -1.97 -0.01 0.00 -1.84 0.00 0.00 35.03 31.21 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 0.54 -0.12 0.19 2.13 4.02 -1.26 -0.49 117.16 122.18 2crb n TYR 31 Ca 0.43 1.05 -0.17 0.00 -0.01 0.00 0.00 57.90 59.20 2crb n TYR 31 Cb 0.56 -0.73 -0.09 0.00 -0.02 0.00 0.00 39.34 39.06 2crb n TYR 31 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2crb h GLU 32 N 0.00 -0.81 -1.58 -0.72 4.11 -1.91 -0.76 114.58 112.91 2crb h GLU 32 Ca 0.24 0.05 0.46 0.00 0.07 0.00 0.00 59.36 60.19 2crb h GLU 32 Cb 0.45 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2crb h GLU 32 CO -0.82 -0.54 1.14 0.39 0.07 0.00 0.00 179.01 179.24 2crb n GLU 33 N -5.51 -0.00 0.01 1.06 -0.58 0.36 0.22 120.64 116.19 2crb n GLU 33 Ca -0.10 0.89 -0.22 0.00 -0.42 0.00 0.00 57.16 57.31 2crb n GLU 33 Cb 0.43 -2.03 -0.14 0.00 -0.57 0.00 0.00 31.44 29.13 2crb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crb h ALA 34 N 0.83 0.20 -0.61 0.62 0.00 -0.86 -3.37 119.26 116.07 2crb h ALA 34 Ca 0.76 -1.13 0.06 0.00 0.00 0.00 0.00 54.91 54.60 2crb h ALA 34 Cb 3.03 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 21.26 2crb h ALA 34 CO -0.03 0.89 -0.36 -0.89 0.00 0.00 0.00 179.25 178.86 2crb n ILE 35 N -3.87 -0.42 -0.00 0.00 5.41 0.59 -0.23 119.36 120.85 2crb n ILE 35 Ca -0.26 1.66 -0.13 0.00 1.00 0.00 0.00 62.75 65.02 2crb n ILE 35 Cb 0.92 -2.06 -0.07 0.00 -0.71 0.00 0.00 39.64 37.72 2crb n ILE 35 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2crb h SER 36 N 0.00 -1.40 -0.78 4.38 4.64 -1.74 -1.09 113.55 117.56 2crb h SER 36 Ca 0.10 0.18 0.23 0.00 -0.47 0.00 0.00 61.79 61.83 2crb h SER 36 Cb 0.25 0.56 -0.15 0.00 -0.31 0.00 0.00 62.40 62.76 2crb h SER 36 CO -0.57 -0.44 0.07 0.00 -0.87 0.00 0.00 176.83 175.02 2crb h HIS 38 N 0.00 0.60 -0.98 0.00 -0.00 -0.79 -2.52 115.15 111.46 2crb h HIS 38 Ca 0.50 -0.16 0.07 0.00 -0.00 0.00 0.00 60.37 60.78 2crb h HIS 38 Cb 1.09 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 28.30 2crb h HIS 38 CO -0.35 0.82 0.63 0.00 -0.00 0.00 0.00 177.93 179.03 2crb h ARG 39 N 0.22 1.10 0.67 2.45 3.08 0.25 -1.74 114.38 120.41 2crb h ARG 39 Ca 0.05 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2crb h ARG 39 Cb 0.68 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.49 2crb h ARG 39 CO 0.04 0.72 -0.32 0.87 -1.07 0.00 0.00 179.97 180.22 2crb h LYS 40 N 1.13 -0.87 -0.45 0.04 1.57 -0.75 -2.71 116.57 114.53 2crb h LYS 40 Ca 0.42 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.34 2crb h LYS 40 Cb 0.19 0.20 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 2crb h LYS 40 CO -0.17 -0.55 -0.43 0.00 -0.57 0.00 0.00 179.45 177.73 2crb h ALA 41 N -1.09 -0.39 -0.46 3.86 0.00 -1.28 -1.58 119.26 118.32 2crb h ALA 41 Ca -0.09 0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2crb h ALA 41 Cb 0.72 0.90 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 2crb h ALA 41 CO 0.15 -0.85 -0.37 1.79 0.00 0.00 0.00 179.25 179.97 2crb h THR 42 N -0.30 0.16 -0.47 0.00 1.35 -1.38 -0.18 112.91 112.10 2crb h THR 42 Ca 0.15 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.09 2crb h THR 42 Cb 0.58 0.16 -0.10 0.00 -1.73 0.00 0.00 68.15 67.06 2crb h THR 42 CO -0.60 0.00 -0.36 0.74 -0.25 0.00 0.00 175.52 175.04 2crb h THR 43 N -0.26 0.17 -0.84 6.82 2.02 -0.97 0.26 112.91 120.12 2crb h THR 43 Ca 0.17 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.43 2crb h THR 43 Cb 0.56 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2crb h THR 43 CO -0.60 0.00 0.55 0.22 0.37 0.00 0.00 175.52 176.06 2crb h TYR 44 N -0.24 0.92 -0.47 3.16 3.20 -0.68 -1.66 116.97 121.19 2crb h TYR 44 Ca 0.18 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 2crb h TYR 44 Cb 0.56 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2crb h TYR 44 CO -0.60 0.46 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.28 2crb h LEU 45 N 0.89 0.85 -2.22 2.82 3.38 0.10 -1.51 115.31 119.61 2crb h LEU 45 Ca 0.37 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2crb h LEU 45 Cb 0.29 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2crb h LEU 45 CO -0.14 0.97 -0.01 -1.28 0.09 0.00 0.00 178.44 178.07 2crb h SER 46 N 0.71 0.00 0.14 -0.43 0.87 0.27 -2.70 113.55 112.41 2crb h SER 46 Ca 0.13 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.37 2crb h SER 46 Cb 0.56 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2crb h SER 46 CO 0.03 0.01 -1.61 -0.33 -0.53 0.00 0.00 176.83 174.40 2crb h GLU 47 N 0.00 0.30 0.19 2.24 4.39 -0.94 -3.26 114.58 117.49 2crb h GLU 47 Ca -0.00 -0.51 0.01 0.00 0.34 0.00 0.00 59.36 59.20 2crb h GLU 47 Cb 0.26 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2crb h GLU 47 CO 0.00 1.24 -0.42 0.00 -1.16 0.00 0.00 179.01 178.67 2crb h ALA 48 N 0.02 -0.79 -0.21 3.43 0.00 -0.97 -0.87 119.26 119.87 2crb h ALA 48 Ca -0.34 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2crb h ALA 48 Cb 1.91 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 20.38 2crb h ALA 48 CO 0.10 -1.01 0.16 0.00 0.00 0.00 0.00 179.25 178.50 2crb h MET 49 N -0.70 0.00 0.00 0.00 -0.00 -1.71 0.39 114.93 112.91 2crb h MET 49 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 2crb h MET 49 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2crb h MET 49 CO -0.21 0.00 0.00 1.63 -0.00 0.00 0.00 176.91 178.33 2crb n LYS 50 N -4.40 0.68 -0.00 -0.10 5.02 -0.40 -3.74 118.16 115.22 2crb n LYS 50 Ca 0.02 0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.29 2crb n LYS 50 Cb 0.30 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.12 0.85 -0.30 -0.35 7.94 0.11 -4.73 117.00 119.40 2crb n LEU 51 Ca 0.18 0.12 0.13 0.00 -1.11 0.00 0.00 56.01 55.33 2crb n LEU 51 Cb 0.15 -0.29 0.25 0.00 0.53 0.00 0.00 43.42 44.06 2crb n LEU 51 CO 0.18 -0.28 0.69 1.07 -1.11 0.00 0.00 177.39 177.94 2crb n THR 52 N -3.48 -0.36 -2.33 1.96 5.66 0.40 -4.76 114.28 111.37 2crb n THR 52 Ca -0.07 1.91 -0.18 0.00 -3.05 0.00 0.00 64.05 62.66 2crb n THR 52 Cb 0.34 -2.79 -0.01 0.00 -1.55 0.00 0.00 70.33 66.32 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 -5.26 -1.47 -4.49 1.09 0.00 -1.25 -4.99 120.64 104.27 2crb n GLU 53 Ca 0.20 0.90 -0.24 0.00 0.00 0.00 0.00 57.16 58.03 2crb n GLU 53 Cb 0.67 -5.43 -0.10 0.00 0.00 0.00 0.00 31.44 26.58 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 -2.18 3.22 -0.04 4.31 0.15 -1.26 -5.08 113.70 112.82 2crb s SER 54 Ca 0.00 -1.21 -0.00 0.00 0.70 0.00 0.00 55.95 55.44 2crb s SER 54 Cb 0.00 -0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2crb s SER 54 CO 0.00 -0.29 -0.01 -0.08 1.20 0.00 0.00 173.24 174.06 2crb h GLU 55 N 2.14 0.00 0.21 5.44 4.81 -1.98 -3.12 114.58 122.07 2crb h GLU 55 Ca -0.41 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2crb h GLU 55 Cb 1.24 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 2crb h GLU 55 CO 0.69 0.00 -0.51 1.96 -0.73 0.00 0.00 179.01 180.42 2crb h GLN 56 N -0.34 -0.77 -0.63 1.92 1.08 -1.99 0.03 115.11 114.41 2crb h GLN 56 Ca 0.00 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.37 2crb h GLN 56 Cb 0.02 0.18 -0.12 0.00 -0.05 0.00 0.00 27.48 27.51 2crb h GLN 56 CO 0.00 -0.51 -0.26 0.00 -0.95 0.00 0.00 178.83 177.10 2crb h ALA 57 N -0.56 0.17 -0.27 3.87 0.00 -1.96 -0.09 119.26 120.42 2crb h ALA 57 Ca -0.01 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2crb h ALA 57 Cb 0.78 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2crb h ALA 57 CO -0.23 -0.57 0.02 1.25 0.00 0.00 0.00 179.25 179.72 2crb h HIS 58 N -0.10 0.02 -0.60 0.00 -0.00 -1.38 -2.33 115.15 110.76 2crb h HIS 58 Ca 0.27 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.77 2crb h HIS 58 Cb 0.53 0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.89 2crb h HIS 58 CO -0.60 -0.02 0.14 -0.07 -0.00 0.00 0.00 177.93 177.37 2crb h LEU 59 N 0.10 0.03 -2.20 0.26 4.07 0.77 0.37 115.31 118.71 2crb h LEU 59 Ca 0.13 0.11 0.03 0.00 0.08 0.00 0.00 57.88 58.22 2crb h LEU 59 Cb 0.16 0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 2crb h LEU 59 CO -0.20 0.02 0.27 0.28 -1.08 0.00 0.00 178.44 177.74 2crb h SER 60 N 0.27 0.00 0.00 -0.43 0.02 -0.64 -2.28 113.55 110.49 2crb h SER 60 Ca 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2crb h SER 60 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2crb h SER 60 CO -0.39 0.00 -0.72 0.18 -1.14 0.00 0.00 176.83 174.75 2crb n LEU 61 N -3.20 1.85 -0.15 5.07 4.77 0.11 -3.30 117.00 122.15 2crb n LEU 61 Ca -0.00 0.53 0.26 0.00 -0.03 0.00 0.00 56.01 56.77 2crb n LEU 61 Cb 0.36 -0.83 0.47 0.00 -2.33 0.00 0.00 43.42 41.08 2crb n LEU 61 CO 0.19 -0.37 1.24 1.05 -1.33 0.00 0.00 177.39 178.17 2crb h GLU 62 N -1.00 0.00 0.07 3.23 4.11 -0.70 0.80 114.58 121.09 2crb h GLU 62 Ca -0.03 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.14 2crb h GLU 62 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2crb h GLU 62 CO -0.02 0.00 -1.42 -0.07 0.07 0.00 0.00 179.01 177.58 2crb h LEU 63 N 0.00 0.24 -1.53 3.06 3.38 -1.59 -3.30 115.31 115.57 2crb h LEU 63 Ca 0.43 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2crb h LEU 63 Cb 2.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 43.28 2crb h LEU 63 CO -0.00 1.60 -0.11 -0.61 0.09 0.00 0.00 178.44 179.40 2crb h GLN 64 N -0.50 0.17 -0.43 1.13 4.15 0.45 -2.66 115.11 117.41 2crb h GLN 64 Ca -0.33 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 58.99 2crb h GLN 64 Cb 1.62 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.27 2crb h GLN 64 CO -0.03 0.29 0.00 -0.09 -1.93 0.00 0.00 178.83 177.07 2crb h ARG 65 N 0.16 0.76 -0.65 1.69 2.43 -0.77 -2.96 114.38 115.06 2crb h ARG 65 Ca 0.04 -0.24 0.06 0.00 -0.81 0.00 0.00 59.98 59.02 2crb h ARG 65 Cb 0.30 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 2crb h ARG 65 CO 0.02 0.83 -0.45 0.22 -1.51 0.00 0.00 179.97 179.08 2crb h ASP 66 N 0.61 -1.61 0.68 -3.80 3.58 -1.54 -1.43 116.42 112.90 2crb h ASP 66 Ca 0.12 0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.78 2crb h ASP 66 Cb 0.48 0.70 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2crb h ASP 66 CO 0.02 -0.21 -0.48 0.28 -2.88 0.00 0.00 179.24 175.96 2crb h SER 67 N -0.08 -1.26 -1.60 2.28 0.02 -1.66 0.21 113.55 111.45 2crb h SER 67 Ca 0.10 0.08 0.46 0.00 -0.84 0.00 0.00 61.79 61.60 2crb h SER 67 Cb 0.36 0.38 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 2crb h SER 67 CO -0.65 -0.71 1.17 1.41 -1.14 0.00 0.00 176.83 176.91 2crb n HIS 68 N -5.47 0.00 -0.06 3.45 8.25 -0.85 0.18 115.22 120.72 2crb n HIS 68 Ca -0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.12 2crb n HIS 68 Cb 0.48 -0.40 -0.13 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.55 0.70 -0.28 -0.41 2.00 -0.60 -3.82 117.12 111.17 2crb n MET 69 Ca 0.36 0.23 0.15 0.00 0.00 0.00 0.00 57.70 58.44 2crb n MET 69 Cb 1.65 -1.63 0.41 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 -0.05 0.59 -0.14 0.03 2.10 0.50 -0.10 116.57 119.50 2crb h LYS 70 Ca -0.49 -0.04 -0.21 0.00 -2.00 0.00 0.00 60.65 57.91 2crb h LYS 70 Cb 1.93 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 33.14 2crb h LYS 70 CO -0.01 0.39 -0.76 1.96 -2.00 0.00 0.00 179.45 179.02 2crb h GLN 71 N 0.61 0.70 -0.14 0.07 1.08 -1.32 -2.93 115.11 113.18 2crb h GLN 71 Ca 0.49 -0.57 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2crb h GLN 71 Cb 0.93 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.44 2crb h GLN 71 CO -0.24 1.18 -0.11 1.25 -0.95 0.00 0.00 178.83 179.97 2crb h LEU 72 N 0.48 -0.35 -1.61 1.46 5.85 -1.13 0.25 115.31 120.26 2crb h LEU 72 Ca -0.05 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2crb h LEU 72 Cb 1.38 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 2crb h LEU 72 CO 0.15 -0.15 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.90 2crb h LEU 73 N -0.12 0.07 -0.08 2.25 3.38 -1.47 0.34 115.31 119.67 2crb h LEU 73 Ca 0.09 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2crb h LEU 73 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2crb h LEU 73 CO -0.21 0.22 -0.25 -0.07 0.09 0.00 0.00 178.44 178.22 2crb h LEU 74 N 0.08 0.36 -0.32 1.67 3.38 -1.04 -2.51 115.31 116.92 2crb h LEU 74 Ca 0.02 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.31 2crb h LEU 74 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2crb h LEU 74 CO 0.02 0.91 -0.08 0.40 0.09 0.00 0.00 178.44 179.78 2crb h ILE 75 N -0.16 1.28 0.62 1.22 2.04 -0.28 -2.14 117.51 120.09 2crb h ILE 75 Ca -0.01 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2crb h ILE 75 Cb 0.87 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2crb h ILE 75 CO 0.05 0.36 -0.46 1.56 0.00 0.00 0.00 178.15 179.67 2crb h GLN 76 N 0.39 -1.01 -0.80 2.37 4.20 -1.01 -1.78 115.11 117.47 2crb h GLN 76 Ca 0.08 0.07 0.13 0.00 0.06 0.00 0.00 58.65 58.99 2crb h GLN 76 Cb 0.57 0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.52 2crb h GLN 76 CO 0.03 -0.67 0.53 1.05 -0.67 0.00 0.00 178.83 179.10 2crb h GLU 77 N -1.05 0.59 0.00 1.46 -0.00 -1.50 0.40 114.58 114.48 2crb h GLU 77 Ca -0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2crb h GLU 77 Cb 0.87 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.49 2crb h GLU 77 CO 0.03 0.39 0.00 0.54 -0.00 0.00 0.00 179.01 179.97 2crb n ARG 78 N -4.51 0.20 -0.05 1.06 5.12 -0.80 -2.73 116.66 114.94 2crb n ARG 78 Ca 0.15 0.44 -0.02 0.00 -1.93 0.00 0.00 57.85 56.49 2crb n ARG 78 Cb 0.44 -1.89 -0.01 0.00 -1.16 0.00 0.00 32.46 29.84 2crb n ARG 78 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2crb h TRP 79 N 0.00 0.00 -0.97 -1.55 7.01 0.64 -2.87 115.95 118.21 2crb h TRP 79 Ca 0.00 0.00 0.28 0.00 2.11 0.00 0.00 58.89 61.28 2crb h TRP 79 Cb 0.34 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.37 2crb h TRP 79 CO 0.00 0.00 0.80 1.57 -2.79 0.00 0.00 178.44 178.02 2crb h LYS 80 N -0.74 0.00 0.19 2.65 2.10 -1.51 0.29 116.57 119.55 2crb h LYS 80 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 2crb h LYS 80 Cb 0.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.60 2crb h LYS 80 CO 0.00 0.00 -1.33 0.00 -2.00 0.00 0.00 179.45 176.12 2crb h ARG 81 N 0.00 0.41 0.00 0.07 3.08 -1.67 -3.28 114.38 112.99 2crb h ARG 81 Ca 0.46 -0.69 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2crb h ARG 81 Cb 2.05 0.26 -0.00 0.00 0.08 0.00 0.00 29.97 32.36 2crb h ARG 81 CO -0.00 1.33 -0.02 0.00 -1.07 0.00 0.00 179.97 180.21 2crb h ALA 82 N 0.09 1.16 -0.17 0.04 0.00 -0.23 -0.56 119.26 119.59 2crb h ALA 82 Ca -0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2crb h ALA 82 Cb 1.95 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2crb h ALA 82 CO 0.19 0.02 -0.33 0.87 0.00 0.00 0.00 179.25 180.01 2crb h LYS 83 N 0.00 0.35 0.09 0.00 1.79 -1.34 -1.86 116.57 115.59 2crb h LYS 83 Ca -0.00 -0.15 -0.36 0.00 -2.18 0.00 0.00 60.65 57.97 2crb h LYS 83 Cb 0.11 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2crb h LYS 83 CO 0.00 0.64 -2.00 2.89 -1.08 0.00 0.00 179.45 179.90 2crb n ARG 84 N -4.08 0.71 0.10 3.15 1.85 -0.60 -3.95 116.66 113.84 2crb n ARG 84 Ca -0.01 0.28 -0.04 0.00 -1.00 0.00 0.00 57.85 57.08 2crb n ARG 84 Cb 0.43 -1.68 -0.02 0.00 -1.05 0.00 0.00 32.46 30.15 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 -0.11 -0.26 -0.98 2.89 4.39 -1.18 -1.20 114.58 118.13 2crb h GLU 85 Ca -0.45 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.44 2crb h GLU 85 Cb 1.91 0.06 -0.17 0.00 -0.10 0.00 0.00 28.75 30.44 2crb h GLU 85 CO 0.01 -0.17 -0.32 1.49 -1.16 0.00 0.00 179.01 178.86 2crb h GLU 86 N -0.28 -0.01 -0.19 2.33 4.81 -1.58 0.35 114.58 120.02 2crb h GLU 86 Ca -0.03 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2crb h GLU 86 Cb 0.20 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2crb h GLU 86 CO 0.04 -0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.23 2crb h ARG 87 N -0.01 -0.07 0.35 1.92 2.47 -1.67 0.19 114.38 117.56 2crb h ARG 87 Ca 0.40 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.11 2crb h ARG 87 Cb 0.65 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 2crb h ARG 87 CO -0.99 -0.05 -0.20 -0.07 0.56 0.00 0.00 179.97 179.22 2crb h LEU 88 N -0.07 -0.50 -1.22 3.04 4.07 0.86 -2.81 115.31 118.67 2crb h LEU 88 Ca 0.10 0.02 0.28 0.00 0.08 0.00 0.00 57.88 58.37 2crb h LEU 88 Cb 0.23 0.14 -0.11 0.00 1.08 0.00 0.00 40.66 42.00 2crb h LEU 88 CO -0.24 -0.32 0.65 0.07 -1.08 0.00 0.00 178.44 177.53 2crb h LYS 89 N -0.52 0.40 -6.40 1.13 2.10 -0.82 -3.39 116.57 109.08 2crb h LYS 89 Ca -0.05 -0.02 -0.54 0.00 -2.00 0.00 0.00 60.65 58.04 2crb h LYS 89 Cb 0.41 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2crb h LYS 89 CO 0.06 0.27 0.99 0.00 -2.00 0.00 0.00 179.45 178.76 2crb s ALA 90 N -5.58 3.65 -0.45 0.07 0.00 0.65 -4.93 121.76 115.17 2crb s ALA 90 Ca -0.09 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 2crb s ALA 90 Cb 0.27 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2crb s ALA 90 CO 0.80 -1.13 1.43 -1.58 0.00 0.00 0.00 175.76 175.28 2crb s HIS 91 N 2.88 2.34 0.01 0.00 2.46 -1.26 -4.81 115.29 116.91 2crb s HIS 91 Ca 0.72 0.63 -0.04 0.00 0.47 0.00 0.00 55.06 56.83 2crb s HIS 91 Cb -0.37 -4.33 -0.01 0.00 -0.13 0.00 0.00 32.58 27.74 2crb s HIS 91 CO 0.31 -2.01 -0.09 -1.13 -2.47 0.00 0.00 174.74 169.35 2crb n SER 92 N 9.14 1.10 0.00 9.88 3.41 -1.26 -5.08 113.62 130.81 2crb n SER 92 Ca 0.16 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2crb n SER 92 Cb 0.48 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2crb n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crb n GLY 93 N 2.86 -1.73 3.56 5.00 0.00 -1.26 -5.09 105.19 108.53 2crb n GLY 93 Ca -0.03 0.92 -0.28 0.00 0.00 0.00 0.00 46.02 46.62 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 2.57 1.16 1.61 0.04 -1.26 -4.97 135.00 134.15 2crb s PRO 94 Ca 0.00 -0.16 -0.16 0.00 0.04 0.00 0.00 61.00 60.72 2crb s PRO 94 Cb 0.00 -4.96 0.27 0.00 0.04 0.00 0.00 34.50 29.84 2crb s PRO 94 CO 0.00 -3.28 1.05 0.45 0.04 0.00 0.00 177.00 175.26 2crb s SER 95 N 8.04 1.14 0.00 6.66 0.15 -1.26 -5.02 113.70 123.42 2crb s SER 95 Ca 0.70 1.07 0.00 0.00 0.70 0.00 0.00 55.95 58.42 2crb s SER 95 Cb -0.08 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2crb s SER 95 CO 0.02 -4.04 0.00 -0.24 1.20 0.00 0.00 173.24 170.19 2crb n SER 96 N -4.76 0.91 0.00 5.45 2.88 -1.26 -5.30 113.62 111.54 2crb n SER 96 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2crb n SER 96 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2crb n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42