#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 3.77 -4.07 1.61 3.41 -1.26 -4.95 113.62 112.13 2crb n SER 2 Ca 0.00 1.01 -0.34 0.00 -0.26 0.00 0.00 58.87 59.28 2crb n SER 2 Cb 0.00 -1.50 -0.12 0.00 -0.26 0.00 0.00 64.21 62.33 2crb n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crb s SER 3 N 2.41 5.04 -0.29 4.04 0.01 -1.26 -5.04 113.70 118.61 2crb s SER 3 Ca 0.82 -2.40 -0.22 0.00 1.31 0.00 0.00 55.95 55.46 2crb s SER 3 Cb -0.55 -1.77 0.14 0.00 0.21 0.00 0.00 66.02 64.04 2crb s SER 3 CO 0.39 -0.43 1.08 -0.83 0.41 0.00 0.00 173.24 173.86 2crb s GLY 4 N 1.09 -0.02 -0.73 3.44 0.00 -1.26 -5.08 107.32 104.75 2crb s GLY 4 Ca 0.12 2.96 -0.26 0.00 0.00 0.00 0.00 44.72 47.54 2crb s GLY 4 CO -0.04 2.08 2.37 -0.45 0.00 0.00 0.00 173.10 177.06 2crb s SER 5 N 0.53 4.10 0.09 1.64 0.15 -1.26 -4.86 113.70 114.08 2crb s SER 5 Ca 0.00 0.22 -0.10 0.00 0.70 0.00 0.00 55.95 56.76 2crb s SER 5 Cb -0.05 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2crb s SER 5 CO -0.10 -3.59 0.23 -0.94 1.20 0.00 0.00 173.24 170.04 2crb s SER 6 N 10.92 0.04 0.00 5.45 1.04 -1.26 -5.07 113.70 124.83 2crb s SER 6 Ca 0.92 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2crb s SER 6 Cb -0.13 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2crb s SER 6 CO 0.11 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2crb n GLY 7 N 0.02 0.87 3.33 7.32 0.00 -1.26 -4.83 105.19 110.64 2crb n GLY 7 Ca -0.16 -1.07 -0.46 0.00 0.00 0.00 0.00 46.02 44.33 2crb n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2crb s MET 8 N 0.00 3.29 -0.91 1.61 1.00 -1.26 -4.80 119.30 118.22 2crb s MET 8 Ca 0.00 -2.00 -0.22 0.00 0.00 0.00 0.00 55.69 53.47 2crb s MET 8 Cb 0.00 -4.38 0.08 0.00 0.00 0.00 0.00 34.83 30.53 2crb s MET 8 CO 0.00 -1.35 1.26 -1.21 0.00 0.00 0.00 175.02 173.72 2crb s GLU 9 N 1.13 3.48 0.00 2.03 2.02 -1.26 -3.88 118.70 122.22 2crb s GLU 9 Ca 0.12 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.91 2crb s GLU 9 Cb -0.20 -4.93 0.00 0.00 0.10 0.00 0.00 34.13 29.10 2crb s GLU 9 CO -0.02 -2.01 0.00 0.41 0.02 0.00 0.00 175.26 173.66 2crb n GLY 10 N 6.05 -0.03 0.08 -1.39 0.00 -1.26 -4.94 105.19 103.71 2crb n GLY 10 Ca 0.22 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.12 0.12 1.61 -0.04 -1.26 -2.34 135.00 133.21 2crb n PRO 11 Ca 0.00 0.36 -0.24 0.00 -0.04 0.00 0.00 63.50 63.58 2crb n PRO 11 Cb 0.00 -1.73 -0.16 0.00 -0.04 0.00 0.00 33.50 31.57 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 0.76 0.01 1.53 3.38 -1.93 -3.29 115.31 115.78 2crb h LEU 12 Ca 0.00 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 2crb h LEU 12 Cb 0.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2crb h LEU 12 CO 0.00 1.75 -0.00 -1.13 0.09 0.00 0.00 178.44 179.15 2crb h ASN 13 N 0.13 -0.01 -0.76 -0.43 -1.24 -1.83 -3.19 115.58 108.25 2crb h ASN 13 Ca -0.30 -0.71 0.13 0.00 0.71 0.00 0.00 56.30 56.14 2crb h ASN 13 Cb 2.15 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 41.06 2crb h ASN 13 CO 0.24 0.72 -0.31 -0.07 -1.29 0.00 0.00 177.43 176.71 2crb h LEU 14 N -0.75 -1.12 -0.53 0.34 3.38 -1.64 0.20 115.31 115.19 2crb h LEU 14 Ca -0.00 0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.30 2crb h LEU 14 Cb 0.72 0.60 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 2crb h LEU 14 CO 0.00 -0.29 0.18 0.00 0.09 0.00 0.00 178.44 178.42 2crb h ALA 15 N 1.33 0.65 -0.60 1.53 0.00 -1.66 -2.03 119.26 118.48 2crb h ALA 15 Ca 0.31 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.41 2crb h ALA 15 Cb 0.58 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2crb h ALA 15 CO -0.81 -0.22 0.06 0.45 0.00 0.00 0.00 179.25 178.73 2crb h HIS 16 N 0.35 0.07 -0.88 0.00 3.86 -0.61 -0.96 115.15 116.98 2crb h HIS 16 Ca 0.26 0.04 0.22 0.00 -1.16 0.00 0.00 60.37 59.73 2crb h HIS 16 Cb 0.30 0.06 -0.16 0.00 1.06 0.00 0.00 27.41 28.68 2crb h HIS 16 CO -0.18 -0.10 -0.02 1.96 0.86 0.00 0.00 177.93 180.45 2crb h GLN 17 N 0.18 0.05 -0.07 2.45 4.20 -0.71 0.94 115.11 122.15 2crb h GLN 17 Ca 0.31 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 2crb h GLN 17 Cb 0.49 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2crb h GLN 17 CO -0.46 0.03 -0.03 1.96 -0.67 0.00 0.00 178.83 179.66 2crb h GLN 18 N 0.05 0.14 -0.99 1.46 1.08 -1.24 -3.09 115.11 112.53 2crb h GLN 18 Ca 0.50 -0.06 0.30 0.00 -1.45 0.00 0.00 58.65 57.94 2crb h GLN 18 Cb 0.93 -0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 28.21 2crb h GLN 18 CO -0.82 0.50 0.55 1.03 -0.95 0.00 0.00 178.83 179.14 2crb h SER 19 N -0.22 0.50 -0.78 1.46 0.87 -0.26 0.49 113.55 115.61 2crb h SER 19 Ca 0.02 0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2crb h SER 19 Cb 0.45 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 2crb h SER 19 CO 0.01 -0.10 0.50 0.03 -0.53 0.00 0.00 176.83 176.74 2crb h ARG 20 N 0.36 0.93 0.02 2.24 3.08 -1.20 -2.70 114.38 117.11 2crb h ARG 20 Ca 0.71 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.71 2crb h ARG 20 Cb 1.56 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 2crb h ARG 20 CO -0.59 0.62 -0.07 -0.09 -1.07 0.00 0.00 179.97 178.77 2crb h ARG 21 N 0.96 -0.13 -0.77 0.04 2.43 -0.07 -2.73 114.38 114.12 2crb h ARG 21 Ca 0.32 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.66 2crb h ARG 21 Cb 0.03 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.46 2crb h ARG 21 CO -0.12 -0.08 -0.12 0.00 -1.51 0.00 0.00 179.97 178.14 2crb h ALA 22 N 0.84 0.62 0.09 2.80 0.00 -1.18 -1.75 119.26 120.67 2crb h ALA 22 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2crb h ALA 22 Cb 0.15 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2crb h ALA 22 CO -0.06 -0.42 -0.25 0.22 0.00 0.00 0.00 179.25 178.75 2crb h ASP 23 N 0.03 -0.73 -0.99 0.00 3.58 -1.37 0.16 116.42 117.10 2crb h ASP 23 Ca 0.39 0.07 0.34 0.00 0.42 0.00 0.00 57.03 58.25 2crb h ASP 23 Cb 0.64 0.27 -0.16 0.00 1.72 0.00 0.00 39.33 41.80 2crb h ASP 23 CO -0.76 -0.27 0.51 0.03 -2.88 0.00 0.00 179.24 175.87 2crb h ARG 24 N -0.37 0.21 -0.26 0.28 2.47 -1.27 0.47 114.38 115.90 2crb h ARG 24 Ca -0.01 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 2crb h ARG 24 Cb 0.36 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2crb h ARG 24 CO -0.12 0.14 -0.06 -0.07 0.56 0.00 0.00 179.97 180.42 2crb h LEU 25 N 0.21 0.51 -0.64 3.04 3.38 -0.48 -3.09 115.31 118.23 2crb h LEU 25 Ca 0.74 -0.36 0.13 0.00 0.09 0.00 0.00 57.88 58.48 2crb h LEU 25 Cb 1.76 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 42.27 2crb h LEU 25 CO -0.67 0.75 0.07 0.25 0.09 0.00 0.00 178.44 178.94 2crb h LEU 26 N 0.25 -0.14 -1.31 1.67 5.85 0.28 0.18 115.31 122.10 2crb h LEU 26 Ca 0.07 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2crb h LEU 26 Cb 0.53 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 2crb h LEU 26 CO 0.03 -0.07 0.50 0.00 -0.34 0.00 0.00 178.44 178.56 2crb h ALA 27 N 1.55 1.62 -0.20 1.25 0.00 -1.37 0.34 119.26 122.45 2crb h ALA 27 Ca 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2crb h ALA 27 Cb 0.56 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2crb h ALA 27 CO -0.50 0.28 0.01 0.00 0.00 0.00 0.00 179.25 179.04 2crb n ALA 28 N -2.43 3.00 -2.17 0.00 0.00 0.43 -4.85 120.51 114.49 2crb n ALA 28 Ca 0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 2crb n ALA 28 Cb 0.18 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 0.21 0.03 2.21 0.00 0.00 0.11 -4.84 105.19 102.91 2crb n GLY 29 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.66 2.36 -0.16 1.61 4.76 0.01 -4.78 118.16 119.30 2crb n LYS 30 Ca -0.18 -2.63 -0.04 0.00 -2.87 0.00 0.00 58.31 52.59 2crb n LYS 30 Cb 0.61 -2.04 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 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 -0.35 -0.16 -0.34 2.13 4.01 -1.26 -0.03 117.16 121.16 2crb n TYR 31 Ca 0.50 0.47 -0.01 0.00 -0.16 0.00 0.00 57.90 58.69 2crb n TYR 31 Cb 0.60 -0.48 0.03 0.00 -0.31 0.00 0.00 39.34 39.18 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 -3.83 -0.22 -0.20 -0.72 0.00 -1.26 0.74 120.64 115.15 2crb n GLU 32 Ca 0.01 1.35 -0.00 0.00 0.00 0.00 0.00 57.16 58.52 2crb n GLU 32 Cb 0.10 -2.01 0.07 0.00 0.00 0.00 0.00 31.44 29.60 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 0.03 -0.28 5.31 4.39 -0.84 -1.09 114.58 122.10 2crb h GLU 33 Ca 0.30 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 2crb h GLU 33 Cb 0.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2crb h GLU 33 CO -0.87 0.02 0.05 0.00 -1.16 0.00 0.00 179.01 177.05 2crb h ALA 34 N 1.60 0.37 -0.87 3.43 0.00 0.76 -3.08 119.26 121.46 2crb h ALA 34 Ca 0.30 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2crb h ALA 34 Cb 0.47 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 2crb h ALA 34 CO -0.60 0.05 -0.44 -0.89 0.00 0.00 0.00 179.25 177.36 2crb n ILE 35 N -4.67 -0.54 0.46 0.00 5.41 0.39 -1.07 119.36 119.35 2crb n ILE 35 Ca -0.03 2.08 -0.20 0.00 1.00 0.00 0.00 62.75 65.61 2crb n ILE 35 Cb 0.20 -2.64 -0.10 0.00 -0.71 0.00 0.00 39.64 36.39 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 -1.12 -0.76 4.38 4.64 -1.51 -2.57 113.55 116.61 2crb h SER 36 Ca 0.21 0.05 0.32 0.00 -0.47 0.00 0.00 61.79 61.90 2crb h SER 36 Cb 0.42 0.31 -0.14 0.00 -0.31 0.00 0.00 62.40 62.68 2crb h SER 36 CO -0.84 -0.74 0.41 0.00 -0.87 0.00 0.00 176.83 174.79 2crb h HIS 38 N 0.00 0.11 -0.57 0.00 -0.00 -0.92 -2.66 115.15 111.11 2crb h HIS 38 Ca 0.65 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.98 2crb h HIS 38 Cb 1.71 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 29.07 2crb h HIS 38 CO -0.01 0.53 0.34 0.00 -0.00 0.00 0.00 177.93 178.79 2crb h ARG 39 N -0.34 0.78 -0.38 2.45 3.08 0.21 -1.25 114.38 118.93 2crb h ARG 39 Ca 0.01 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2crb h ARG 39 Cb 0.50 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 2crb h ARG 39 CO 0.01 0.57 0.09 0.87 -1.07 0.00 0.00 179.97 180.44 2crb h LYS 40 N 0.77 0.22 0.76 0.04 1.57 -0.68 -2.38 116.57 116.86 2crb h LYS 40 Ca 0.21 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2crb h LYS 40 Cb -0.01 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.26 2crb h LYS 40 CO -0.04 0.14 -0.36 0.00 -0.57 0.00 0.00 179.45 178.62 2crb h ALA 41 N 1.28 -1.10 -0.85 3.86 0.00 -1.20 -3.14 119.26 118.10 2crb h ALA 41 Ca 0.18 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2crb h ALA 41 Cb 0.20 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 2crb h ALA 41 CO -0.22 -1.02 -0.29 0.25 0.00 0.00 0.00 179.25 177.96 2crb n THR 42 N -5.17 -0.42 -0.07 0.00 -2.24 -0.49 -0.18 114.28 105.71 2crb n THR 42 Ca -0.13 1.98 -0.13 0.00 -2.27 0.00 0.00 64.05 63.50 2crb n THR 42 Cb 0.40 -2.65 -0.07 0.00 -2.10 0.00 0.00 70.33 65.91 2crb n THR 42 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2crb h THR 43 N 0.00 0.07 -0.88 4.28 2.02 -1.42 0.07 112.91 117.05 2crb h THR 43 Ca 0.33 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.70 2crb h THR 43 Cb 0.54 0.07 -0.11 0.00 -1.74 0.00 0.00 68.15 66.91 2crb h THR 43 CO -0.85 0.00 0.43 0.22 0.37 0.00 0.00 175.52 175.68 2crb h TYR 44 N -0.45 0.73 -0.25 3.16 3.20 -0.52 -0.21 116.97 122.63 2crb h TYR 44 Ca 0.08 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2crb h TYR 44 Cb 0.63 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2crb h TYR 44 CO -0.60 0.07 0.14 -0.07 -1.64 0.00 0.00 178.16 176.07 2crb h LEU 45 N 0.52 0.31 -1.49 2.82 3.38 -0.30 -2.08 115.31 118.46 2crb h LEU 45 Ca 0.52 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.43 2crb h LEU 45 Cb 0.88 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2crb h LEU 45 CO -0.45 0.29 0.35 -1.28 0.09 0.00 0.00 178.44 177.44 2crb h SER 46 N 0.30 0.60 -0.48 -0.43 0.87 0.62 -2.14 113.55 112.88 2crb h SER 46 Ca 0.09 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2crb h SER 46 Cb 0.05 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2crb h SER 46 CO -0.02 0.43 0.03 -0.33 -0.53 0.00 0.00 176.83 176.41 2crb h GLU 47 N 0.71 0.84 0.90 2.24 4.39 -0.74 -1.72 114.58 121.20 2crb h GLU 47 Ca 0.20 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2crb h GLU 47 Cb -0.07 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2crb h GLU 47 CO -0.04 0.87 -0.43 0.00 -1.16 0.00 0.00 179.01 178.24 2crb h ALA 48 N 0.94 -1.21 -0.56 3.43 0.00 -0.76 -2.63 119.26 118.47 2crb h ALA 48 Ca 0.14 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.91 2crb h ALA 48 Cb 0.47 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2crb h ALA 48 CO 0.02 -1.17 0.38 0.00 0.00 0.00 0.00 179.25 178.49 2crb h MET 49 N -1.24 0.22 0.00 0.00 -0.00 -1.48 0.32 114.93 112.75 2crb h MET 49 Ca -0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 2crb h MET 49 Cb 0.93 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.48 2crb h MET 49 CO 0.20 0.15 0.00 0.87 -0.00 0.00 0.00 176.91 178.13 2crb h LYS 50 N 0.23 0.00 0.00 -0.10 1.57 -0.98 -3.26 116.57 114.04 2crb h LYS 50 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2crb h LYS 50 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2crb h LYS 50 CO -0.05 0.00 -1.06 1.28 -0.57 0.00 0.00 179.45 179.05 2crb n LEU 51 N -2.90 1.88 -4.65 2.94 4.32 0.10 -4.94 117.00 113.77 2crb n LEU 51 Ca -0.00 0.45 -0.48 0.00 -0.02 0.00 0.00 56.01 55.97 2crb n LEU 51 Cb 0.22 -0.83 -0.05 0.00 -1.62 0.00 0.00 43.42 41.15 2crb n LEU 51 CO 0.23 -0.17 1.14 1.07 -1.22 0.00 0.00 177.39 178.44 2crb n THR 52 N -4.49 0.03 -0.01 -5.08 5.66 -0.57 -4.89 114.28 104.93 2crb n THR 52 Ca -0.19 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.69 2crb n THR 52 Cb 0.49 -1.38 -0.14 0.00 -1.55 0.00 0.00 70.33 67.76 2crb n THR 52 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2crb h GLU 53 N 5.78 0.05 -6.76 1.09 4.81 -1.92 -3.46 114.58 114.17 2crb h GLU 53 Ca -0.46 -0.09 -0.53 0.00 -0.13 0.00 0.00 59.36 58.15 2crb h GLU 53 Cb 1.27 0.03 0.22 0.00 0.63 0.00 0.00 28.75 30.91 2crb h GLU 53 CO 0.87 0.64 -0.63 0.45 -0.73 0.00 0.00 179.01 179.61 2crb n SER 54 N -3.14 -2.24 -0.04 1.04 2.88 -1.26 -4.98 113.62 105.89 2crb n SER 54 Ca -0.19 0.32 -0.02 0.00 -1.33 0.00 0.00 58.87 57.65 2crb n SER 54 Cb 1.05 -1.19 -0.01 0.00 -0.75 0.00 0.00 64.21 63.32 2crb n SER 54 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2crb h GLU 55 N -1.55 0.00 -0.67 -1.46 4.81 -2.00 -3.32 114.58 110.39 2crb h GLU 55 Ca -0.44 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.86 2crb h GLU 55 Cb 1.28 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.58 2crb h GLU 55 CO 0.34 0.00 -0.46 1.96 -0.73 0.00 0.00 179.01 180.12 2crb h GLN 56 N -0.61 -0.07 -0.90 1.92 1.08 -1.99 0.55 115.11 115.08 2crb h GLN 56 Ca 0.00 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.33 2crb h GLN 56 Cb 0.17 0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 27.48 2crb h GLN 56 CO 0.00 -0.05 -0.46 0.00 -0.95 0.00 0.00 178.83 177.37 2crb h ALA 57 N 0.05 -0.16 -0.27 3.87 0.00 -1.87 0.20 119.26 121.09 2crb h ALA 57 Ca 0.11 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2crb h ALA 57 Cb 0.36 1.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 2crb h ALA 57 CO -0.67 -0.77 -0.04 1.25 0.00 0.00 0.00 179.25 179.02 2crb h HIS 58 N -0.05 -0.09 -0.30 0.00 -0.00 -1.18 -2.48 115.15 111.05 2crb h HIS 58 Ca 0.25 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.71 2crb h HIS 58 Cb 0.53 0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.96 2crb h HIS 58 CO -0.88 -0.09 -0.11 -0.07 -0.00 0.00 0.00 177.93 176.78 2crb h LEU 59 N 0.03 -0.37 -1.78 0.26 4.07 0.13 0.23 115.31 117.88 2crb h LEU 59 Ca 0.13 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.19 2crb h LEU 59 Cb 0.18 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2crb h LEU 59 CO -0.25 -0.14 0.39 0.28 -1.08 0.00 0.00 178.44 177.64 2crb h SER 60 N -0.05 0.00 0.00 -0.43 0.02 -0.35 -2.15 113.55 110.60 2crb h SER 60 Ca 0.15 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 2crb h SER 60 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2crb h SER 60 CO -0.33 0.00 -1.12 0.18 -1.14 0.00 0.00 176.83 174.41 2crb n LEU 61 N -2.82 1.88 0.07 5.07 4.77 0.57 -3.63 117.00 122.91 2crb n LEU 61 Ca -0.02 0.46 0.17 0.00 -0.03 0.00 0.00 56.01 56.59 2crb n LEU 61 Cb 0.43 -0.84 0.38 0.00 -2.33 0.00 0.00 43.42 41.06 2crb n LEU 61 CO 0.12 -0.10 1.15 1.05 -1.33 0.00 0.00 177.39 178.28 2crb h GLU 62 N -1.00 0.00 0.00 3.23 4.11 -0.31 0.35 114.58 120.95 2crb h GLU 62 Ca -0.18 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.14 2crb h GLU 62 Cb 0.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2crb h GLU 62 CO -0.11 0.00 -0.63 -0.07 0.07 0.00 0.00 179.01 178.27 2crb h LEU 63 N 0.00 0.00 -1.65 3.06 3.38 -1.61 -3.29 115.31 115.20 2crb h LEU 63 Ca 0.24 -0.58 0.14 0.00 0.09 0.00 0.00 57.88 57.77 2crb h LEU 63 Cb 2.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.82 2crb h LEU 63 CO -0.00 1.16 0.48 -0.61 0.09 0.00 0.00 178.44 179.55 2crb h GLN 64 N -1.00 0.34 -0.19 1.13 5.75 -0.44 -1.45 115.11 119.25 2crb h GLN 64 Ca -0.16 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 2crb h GLN 64 Cb 1.00 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 2crb h GLN 64 CO -0.10 0.23 0.06 -0.09 -2.65 0.00 0.00 178.83 176.28 2crb h ARG 65 N 0.35 0.29 -0.33 1.69 2.43 -1.32 -3.00 114.38 114.50 2crb h ARG 65 Ca 0.34 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2crb h ARG 65 Cb 0.84 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 2crb h ARG 65 CO -0.10 0.39 -0.20 -3.47 -1.51 0.00 0.00 179.97 175.09 2crb n ASP 66 N -4.81 -0.35 0.27 -3.80 2.03 -0.54 -0.96 116.55 108.38 2crb n ASP 66 Ca -0.04 0.99 -0.17 0.00 0.52 0.00 0.00 54.79 56.09 2crb n ASP 66 Cb 0.14 -0.27 -0.09 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.11 -1.36 1.67 0.02 -1.66 0.16 113.55 111.27 2crb h SER 67 Ca 0.05 0.09 0.39 0.00 -0.84 0.00 0.00 61.79 61.49 2crb h SER 67 Cb 0.14 0.37 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 2crb h SER 67 CO -0.31 -0.58 1.20 1.41 -1.14 0.00 0.00 176.83 177.41 2crb n HIS 68 N -5.51 0.00 -0.09 3.45 8.25 -0.13 0.13 115.22 121.31 2crb n HIS 68 Ca -0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.15 2crb n HIS 68 Cb 0.41 -0.34 -0.12 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 -3.38 0.67 -0.25 -0.41 2.00 -0.45 -3.89 117.12 111.42 2crb n MET 69 Ca 0.31 0.20 0.20 0.00 0.00 0.00 0.00 57.70 58.41 2crb n MET 69 Cb 1.60 -1.58 0.53 0.00 0.00 0.00 0.00 33.22 33.77 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 -0.09 0.36 0.04 0.03 2.10 0.40 0.97 116.57 120.38 2crb h LYS 70 Ca -0.54 -0.02 -0.26 0.00 -2.00 0.00 0.00 60.65 57.83 2crb h LYS 70 Cb 1.90 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 33.16 2crb h LYS 70 CO -0.07 0.24 -1.07 1.96 -2.00 0.00 0.00 179.45 178.51 2crb h GLN 71 N 0.37 0.50 0.28 0.07 1.08 -1.39 -3.03 115.11 112.99 2crb h GLN 71 Ca 0.48 -0.59 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2crb h GLN 71 Cb 1.25 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2crb h GLN 71 CO -0.18 1.22 -0.15 1.25 -0.95 0.00 0.00 178.83 180.03 2crb h LEU 72 N 0.25 -0.35 -1.14 1.46 5.85 -0.96 0.65 115.31 121.07 2crb h LEU 72 Ca -0.12 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2crb h LEU 72 Cb 1.72 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.79 2crb h LEU 72 CO 0.19 -0.24 0.59 -0.07 -0.34 0.00 0.00 178.44 178.57 2crb h LEU 73 N -0.39 0.94 0.38 2.25 3.38 -1.40 0.87 115.31 121.34 2crb h LEU 73 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2crb h LEU 73 Cb 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2crb h LEU 73 CO 0.05 0.62 -0.18 -0.07 0.09 0.00 0.00 178.44 178.95 2crb h LEU 74 N 1.08 -0.43 -0.52 1.67 3.38 -1.34 -2.60 115.31 116.54 2crb h LEU 74 Ca 0.38 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2crb h LEU 74 Cb 0.12 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2crb h LEU 74 CO -0.13 -0.10 0.26 0.40 0.09 0.00 0.00 178.44 178.97 2crb h ILE 75 N -0.80 0.96 -0.20 1.22 2.04 -0.63 -0.75 117.51 119.35 2crb h ILE 75 Ca -0.05 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2crb h ILE 75 Cb 0.53 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2crb h ILE 75 CO 0.09 0.09 -0.29 1.56 0.00 0.00 0.00 178.15 179.60 2crb h GLN 76 N 0.51 -0.31 -0.18 2.37 4.20 -0.84 0.24 115.11 121.11 2crb h GLN 76 Ca 0.23 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 2crb h GLN 76 Cb 0.14 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2crb h GLN 76 CO -0.16 -0.21 -0.08 1.05 -0.67 0.00 0.00 178.83 178.77 2crb h GLU 77 N -0.32 0.27 0.00 1.46 4.11 -1.15 -1.41 114.58 117.54 2crb h GLU 77 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2crb h GLU 77 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2crb h GLU 77 CO -0.38 0.36 0.00 0.00 0.07 0.00 0.00 179.01 179.06 2crb h ARG 78 N 0.26 0.00 0.00 1.06 2.47 0.44 -3.13 114.38 115.48 2crb h ARG 78 Ca 0.06 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2crb h ARG 78 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2crb h ARG 78 CO 0.02 0.00 -0.06 2.35 0.56 0.00 0.00 179.97 182.84 2crb h TRP 79 N 0.00 0.00 -1.16 3.04 7.01 0.49 -3.00 115.95 122.34 2crb h TRP 79 Ca 0.00 0.00 0.33 0.00 2.11 0.00 0.00 58.89 61.33 2crb h TRP 79 Cb 0.66 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.67 2crb h TRP 79 CO 0.00 0.09 0.83 1.57 -2.79 0.00 0.00 178.44 178.14 2crb h LYS 80 N -1.00 0.02 -0.02 2.65 2.10 -1.55 0.38 116.57 119.15 2crb h LYS 80 Ca -0.00 -0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.41 2crb h LYS 80 Cb 0.13 -0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.48 2crb h LYS 80 CO -0.00 0.01 -0.89 0.00 -2.00 0.00 0.00 179.45 176.57 2crb h ARG 81 N 0.02 0.64 -0.51 0.07 3.08 -1.65 -3.28 114.38 112.75 2crb h ARG 81 Ca 0.56 -0.66 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 2crb h ARG 81 Cb 2.19 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 32.40 2crb h ARG 81 CO -0.02 1.26 -0.04 0.00 -1.07 0.00 0.00 179.97 180.10 2crb h ALA 82 N 0.40 0.96 -1.01 0.04 0.00 -0.16 -0.24 119.26 119.24 2crb h ALA 82 Ca -0.11 -0.30 0.29 0.00 0.00 0.00 0.00 54.91 54.79 2crb h ALA 82 Cb 1.55 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 2crb h ALA 82 CO 0.18 0.62 0.59 0.87 0.00 0.00 0.00 179.25 181.51 2crb h LYS 83 N 0.82 0.42 0.00 0.00 1.79 -1.15 0.81 116.57 119.26 2crb h LYS 83 Ca 0.15 -0.03 -0.24 0.00 -2.18 0.00 0.00 60.65 58.35 2crb h LYS 83 Cb 0.54 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2crb h LYS 83 CO 0.03 0.28 -1.44 -2.13 -1.08 0.00 0.00 179.45 175.11 2crb n ARG 84 N -4.95 0.55 0.17 3.15 3.00 -1.10 -4.35 116.66 113.13 2crb n ARG 84 Ca 0.30 0.49 -0.15 0.00 -0.00 0.00 0.00 57.85 58.48 2crb n ARG 84 Cb 0.88 -1.67 -0.07 0.00 0.00 0.00 0.00 32.46 31.60 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 -1.00 -0.66 -0.79 -0.14 4.39 -0.69 -1.88 114.58 113.80 2crb h GLU 85 Ca -0.37 0.05 0.33 0.00 0.34 0.00 0.00 59.36 59.70 2crb h GLU 85 Cb 1.26 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.92 2crb h GLU 85 CO -0.22 -0.44 0.42 -1.91 -1.16 0.00 0.00 179.01 175.69 2crb n GLU 86 N -5.46 -0.05 0.01 2.33 2.13 0.28 0.14 120.64 120.02 2crb n GLU 86 Ca -0.08 1.09 -0.13 0.00 0.66 0.00 0.00 57.16 58.70 2crb n GLU 86 Cb 0.37 -1.95 -0.09 0.00 0.27 0.00 0.00 31.44 30.04 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 -0.04 -0.31 5.31 2.47 -1.51 -1.06 114.38 119.23 2crb h ARG 87 Ca 0.67 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.44 2crb h ARG 87 Cb 1.76 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 30.04 2crb h ARG 87 CO -0.61 0.36 0.02 -0.07 0.56 0.00 0.00 179.97 180.23 2crb h LEU 88 N -0.45 -0.09 -1.52 3.04 4.07 0.15 0.13 115.31 120.64 2crb h LEU 88 Ca -0.00 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 2crb h LEU 88 Cb 0.42 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2crb h LEU 88 CO 0.01 -0.01 -0.25 0.07 -1.08 0.00 0.00 178.44 177.18 2crb h LYS 89 N 0.11 0.00 -1.84 1.13 2.10 -1.12 -2.99 116.57 113.97 2crb h LYS 89 Ca 0.15 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.27 2crb h LYS 89 Cb 0.19 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.33 2crb h LYS 89 CO -0.24 0.25 0.55 0.00 -2.00 0.00 0.00 179.45 178.01 2crb n ALA 90 N -2.43 6.24 -3.93 0.07 0.00 -0.38 -4.84 120.51 115.24 2crb n ALA 90 Ca -0.02 -3.03 -0.28 0.00 0.00 0.00 0.00 53.44 50.12 2crb n ALA 90 Cb 0.32 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 2crb n ALA 90 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2crb n HIS 91 N 0.41 -0.99 -4.18 0.00 -0.00 -1.13 -4.89 115.22 104.44 2crb n HIS 91 Ca 0.48 0.34 -0.15 0.00 0.46 0.00 0.00 57.72 58.84 2crb n HIS 91 Cb 0.51 -2.14 -0.07 0.00 -0.12 0.00 0.00 29.99 28.17 2crb n HIS 91 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2crb s SER 92 N -4.01 0.95 0.78 0.26 0.01 0.31 -5.02 113.70 106.99 2crb s SER 92 Ca 0.12 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2crb s SER 92 Cb -0.07 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2crb s SER 92 CO 0.76 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2crb n GLY 93 N -0.50 -0.15 3.56 3.44 0.00 -1.26 -3.45 105.19 106.83 2crb n GLY 93 Ca 0.04 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 2.54 0.05 1.61 0.04 -1.26 -4.92 135.00 133.06 2crb s PRO 94 Ca 0.00 -0.45 0.04 0.00 0.04 0.00 0.00 61.00 60.63 2crb s PRO 94 Cb 0.00 -5.10 -0.02 0.00 0.04 0.00 0.00 34.50 29.42 2crb s PRO 94 CO 0.00 -3.49 -0.12 -1.12 0.04 0.00 0.00 177.00 172.31 2crb s SER 95 N 7.75 1.41 -0.09 6.66 0.01 -1.26 -4.97 113.70 123.21 2crb s SER 95 Ca 0.70 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 57.38 2crb s SER 95 Cb -0.06 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 2crb s SER 95 CO 0.02 -0.05 -0.17 -1.20 0.41 0.00 0.00 173.24 172.24 2crb n SER 96 N 1.68 1.16 0.00 2.44 7.64 -1.26 -5.05 113.62 120.22 2crb n SER 96 Ca -0.20 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2crb n SER 96 Cb 0.55 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2crb n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64