#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 -1.29 -3.99 1.61 3.41 -1.26 -4.85 113.62 107.25 2crb n SER 2 Ca 0.00 -1.10 -0.29 0.00 -0.26 0.00 0.00 58.87 57.22 2crb n SER 2 Cb 0.00 -1.41 0.25 0.00 -0.26 0.00 0.00 64.21 62.80 2crb n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2crb n SER 3 N -2.12 -2.78 0.00 4.04 7.64 -1.26 -4.97 113.62 114.17 2crb n SER 3 Ca 0.05 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.51 2crb n SER 3 Cb 0.42 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2crb n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crb n GLY 4 N 1.59 3.01 0.43 0.23 0.00 -1.26 -5.06 105.19 104.13 2crb n GLY 4 Ca 0.06 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 2crb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crb n SER 5 N 0.00 1.50 -4.34 1.61 7.64 -1.26 -5.02 113.62 113.74 2crb n SER 5 Ca 0.00 0.25 -0.38 0.00 1.01 0.00 0.00 58.87 59.75 2crb n SER 5 Cb 0.00 -0.58 0.03 0.00 -1.01 0.00 0.00 64.21 62.66 2crb n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2crb n SER 6 N -4.00 -2.50 -3.49 6.43 2.88 -1.26 -5.00 113.62 106.67 2crb n SER 6 Ca -0.20 0.63 -0.15 0.00 -1.33 0.00 0.00 58.87 57.82 2crb n SER 6 Cb 0.51 -1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 62.91 2crb n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crb s GLY 7 N -1.15 -0.56 -0.98 0.46 0.00 -1.26 -4.96 107.32 98.86 2crb s GLY 7 Ca 0.61 1.07 -0.25 0.00 0.00 0.00 0.00 44.72 46.15 2crb s GLY 7 CO 0.62 0.64 2.08 1.06 0.00 0.00 0.00 173.10 177.50 2crb s MET 8 N -2.22 2.09 -0.12 2.90 1.00 -1.26 -4.90 119.30 116.78 2crb s MET 8 Ca -0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 55.69 54.99 2crb s MET 8 Cb -0.00 -5.03 -0.05 0.00 0.00 0.00 0.00 34.83 29.75 2crb s MET 8 CO -0.00 -4.13 1.70 -1.21 0.00 0.00 0.00 175.02 171.38 2crb s GLU 9 N 7.54 3.95 0.00 2.03 0.41 -1.26 -3.35 118.70 128.03 2crb s GLU 9 Ca 0.77 2.00 0.00 0.00 -0.41 0.00 0.00 54.97 57.33 2crb s GLU 9 Cb -0.06 -4.05 0.00 0.00 -1.78 0.00 0.00 34.13 28.24 2crb s GLU 9 CO 0.08 -1.12 0.00 0.41 -0.49 0.00 0.00 175.26 174.14 2crb n GLY 10 N 4.48 2.18 0.22 -1.39 0.00 -1.26 -4.88 105.19 104.54 2crb n GLY 10 Ca 0.19 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2crb n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crb h PRO 11 N 0.00 0.00 -0.08 1.61 0.13 -2.00 -1.90 132.00 129.76 2crb h PRO 11 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2crb h PRO 11 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2crb h PRO 11 CO 0.00 0.24 -0.32 -0.07 -0.23 0.00 0.00 178.00 177.62 2crb h LEU 12 N 0.00 0.42 -0.13 1.56 3.38 -1.89 -3.03 115.31 115.62 2crb h LEU 12 Ca -0.00 -0.63 -0.07 0.00 0.09 0.00 0.00 57.88 57.27 2crb h LEU 12 Cb 0.68 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2crb h LEU 12 CO 0.03 0.98 -0.18 0.78 0.09 0.00 0.00 178.44 180.15 2crb h ASN 13 N -0.12 0.39 -0.84 -0.43 -0.26 -1.83 -3.02 115.58 109.46 2crb h ASN 13 Ca -0.02 -0.51 0.22 0.00 -0.56 0.00 0.00 56.30 55.43 2crb h ASN 13 Cb 0.96 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 38.07 2crb h ASN 13 CO 0.07 0.82 0.58 -0.07 -1.06 0.00 0.00 177.43 177.78 2crb h LEU 14 N -0.04 0.17 -0.37 1.61 3.38 -1.44 0.58 115.31 119.20 2crb h LEU 14 Ca 0.01 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2crb h LEU 14 Cb 0.74 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2crb h LEU 14 CO 0.04 0.07 -0.38 0.00 0.09 0.00 0.00 178.44 178.27 2crb h ALA 15 N 1.60 0.82 -0.00 1.53 0.00 -1.43 -3.24 119.26 118.55 2crb h ALA 15 Ca 0.42 -0.34 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 2crb h ALA 15 Cb 1.38 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.12 2crb h ALA 15 CO -0.08 0.47 -1.01 0.45 0.00 0.00 0.00 179.25 179.08 2crb h HIS 16 N 0.00 0.92 -1.03 0.00 3.86 0.26 -2.32 115.15 116.83 2crb h HIS 16 Ca -0.00 -0.50 0.28 0.00 -1.16 0.00 0.00 60.37 58.98 2crb h HIS 16 Cb 1.15 -0.10 -0.12 0.00 1.06 0.00 0.00 27.41 29.39 2crb h HIS 16 CO 0.00 1.33 0.62 1.96 0.86 0.00 0.00 177.93 182.70 2crb h GLN 17 N 0.35 0.45 0.11 2.45 4.20 -1.37 -1.21 115.11 120.08 2crb h GLN 17 Ca -0.11 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.28 2crb h GLN 17 Cb 1.66 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 2crb h GLN 17 CO 0.19 0.30 -1.52 1.96 -0.67 0.00 0.00 178.83 179.09 2crb h GLN 18 N 0.46 0.24 -1.27 1.46 1.08 -1.70 -3.32 115.11 112.06 2crb h GLN 18 Ca 0.66 -0.41 0.38 0.00 -1.45 0.00 0.00 58.65 57.84 2crb h GLN 18 Cb 1.45 0.15 -0.10 0.00 -0.05 0.00 0.00 27.48 28.93 2crb h GLN 18 CO -0.46 1.19 0.84 0.66 -0.95 0.00 0.00 178.83 180.12 2crb h SER 19 N -0.27 0.25 0.59 1.46 4.64 -0.67 1.17 113.55 120.72 2crb h SER 19 Ca -0.33 0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 60.87 2crb h SER 19 Cb 1.79 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 2crb h SER 19 CO 0.05 -0.06 -0.93 0.03 -0.87 0.00 0.00 176.83 175.05 2crb h ARG 20 N 0.16 0.21 0.21 4.77 3.08 -1.47 -3.31 114.38 118.03 2crb h ARG 20 Ca 0.73 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.52 2crb h ARG 20 Cb 2.30 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.43 2crb h ARG 20 CO -0.30 1.00 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.41 2crb h ARG 21 N 0.11 -0.28 -1.27 0.04 2.43 0.12 -2.80 114.38 112.73 2crb h ARG 21 Ca -0.05 0.02 0.38 0.00 -0.81 0.00 0.00 59.98 59.52 2crb h ARG 21 Cb 1.58 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 31.09 2crb h ARG 21 CO 0.14 0.01 0.85 0.00 -1.51 0.00 0.00 179.97 179.46 2crb h ALA 22 N 0.14 2.74 0.27 2.80 0.00 -1.35 0.37 119.26 124.23 2crb h ALA 22 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2crb h ALA 22 Cb 0.42 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2crb h ALA 22 CO 0.05 -1.25 -0.13 0.22 0.00 0.00 0.00 179.25 178.13 2crb h ASP 23 N 0.16 -0.31 -0.45 0.00 3.58 -1.60 -2.02 116.42 115.77 2crb h ASP 23 Ca 0.72 -0.22 0.13 0.00 0.42 0.00 0.00 57.03 58.09 2crb h ASP 23 Cb 2.31 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 43.42 2crb h ASP 23 CO -0.28 0.16 0.48 0.03 -2.88 0.00 0.00 179.24 176.74 2crb h ARG 24 N -0.90 0.00 0.10 0.28 2.47 -0.72 -0.34 114.38 115.27 2crb h ARG 24 Ca -0.04 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.54 2crb h ARG 24 Cb 0.51 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.84 2crb h ARG 24 CO 0.06 0.00 -0.62 -0.07 0.56 0.00 0.00 179.97 179.91 2crb h LEU 25 N 0.00 0.34 -0.92 3.04 3.38 -1.18 -3.29 115.31 116.69 2crb h LEU 25 Ca 0.21 -0.96 0.20 0.00 0.09 0.00 0.00 57.88 57.42 2crb h LEU 25 Cb 1.17 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 2crb h LEU 25 CO -0.00 1.30 0.48 0.25 0.09 0.00 0.00 178.44 180.55 2crb h LEU 26 N -0.54 0.52 -1.42 1.67 5.85 -0.30 0.36 115.31 121.45 2crb h LEU 26 Ca -0.11 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2crb h LEU 26 Cb 1.48 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 2crb h LEU 26 CO 0.11 0.13 0.10 0.00 -0.34 0.00 0.00 178.44 178.44 2crb h ALA 27 N 1.66 1.54 -0.30 1.25 0.00 -1.59 -1.09 119.26 120.74 2crb h ALA 27 Ca 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2crb h ALA 27 Cb 0.93 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2crb h ALA 27 CO -0.44 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2crb n ALA 28 N -2.48 2.90 -1.39 0.00 0.00 0.11 -4.86 120.51 114.79 2crb n ALA 28 Ca 0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 2crb n ALA 28 Cb 0.17 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 0.56 1.34 1.97 0.00 0.00 -0.41 -4.85 105.19 103.80 2crb n GLY 29 Ca 0.12 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.74 1.86 -0.35 1.61 4.76 -0.31 -4.69 118.16 119.30 2crb n LYS 30 Ca -0.13 -1.59 -0.08 0.00 -2.87 0.00 0.00 58.31 53.63 2crb n LYS 30 Cb 0.55 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 2crb n LYS 30 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2crb h TYR 31 N 1.74 -1.58 -0.86 2.13 -1.99 -1.85 0.31 116.97 114.86 2crb h TYR 31 Ca 0.29 0.11 0.20 0.00 2.00 0.00 0.00 58.73 61.33 2crb h TYR 31 Cb 0.90 0.81 -0.16 0.00 2.00 0.00 0.00 36.73 40.28 2crb h TYR 31 CO 0.91 -0.40 -0.04 1.49 -0.00 0.00 0.00 178.16 180.12 2crb h GLU 32 N -0.07 0.05 -0.62 4.88 4.81 -1.93 0.48 114.58 122.18 2crb h GLU 32 Ca 0.20 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2crb h GLU 32 Cb 0.50 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2crb h GLU 32 CO -0.88 0.03 0.41 0.93 -0.73 0.00 0.00 179.01 178.77 2crb h GLU 33 N 0.05 0.81 -0.51 1.92 4.39 -0.81 -2.37 114.58 118.06 2crb h GLU 33 Ca 0.48 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 60.05 2crb h GLU 33 Cb 0.86 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2crb h GLU 33 CO -0.81 0.53 -0.00 0.00 -1.16 0.00 0.00 179.01 177.58 2crb h ALA 34 N 1.23 1.04 0.31 3.43 0.00 0.72 -2.78 119.26 123.20 2crb h ALA 34 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2crb h ALA 34 Cb -0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2crb h ALA 34 CO -0.05 0.60 -0.22 0.82 0.00 0.00 0.00 179.25 180.40 2crb h ILE 35 N 0.79 0.00 -1.04 0.00 2.04 -0.05 -1.66 117.51 117.60 2crb h ILE 35 Ca 0.15 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.29 2crb h ILE 35 Cb 0.48 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 2crb h ILE 35 CO 0.02 0.00 0.71 0.77 0.00 0.00 0.00 178.15 179.65 2crb h SER 36 N -0.50 0.23 -0.24 1.72 4.64 -1.52 0.51 113.55 118.40 2crb h SER 36 Ca -0.04 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2crb h SER 36 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2crb h SER 36 CO 0.02 0.05 -0.09 0.00 -0.87 0.00 0.00 176.83 175.95 2crb h HIS 38 N 0.57 0.00 -0.05 0.00 -0.00 0.93 -2.95 115.15 113.65 2crb h HIS 38 Ca 0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.25 2crb h HIS 38 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.90 2crb h HIS 38 CO 0.02 0.59 -0.88 0.00 -0.00 0.00 0.00 177.93 177.66 2crb h ARG 39 N 0.00 0.54 -0.47 2.45 3.08 -0.93 -2.55 114.38 116.50 2crb h ARG 39 Ca -0.01 -0.51 -0.11 0.00 0.07 0.00 0.00 59.98 59.42 2crb h ARG 39 Cb 1.24 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2crb h ARG 39 CO 0.08 1.14 -0.13 0.87 -1.07 0.00 0.00 179.97 180.86 2crb h LYS 40 N 0.33 0.92 0.22 0.04 1.57 -1.33 -2.82 116.57 115.50 2crb h LYS 40 Ca -0.07 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2crb h LYS 40 Cb 1.50 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.77 2crb h LYS 40 CO 0.16 1.01 -0.11 0.00 -0.57 0.00 0.00 179.45 179.95 2crb h ALA 41 N 0.88 -0.30 -0.49 3.86 0.00 -1.56 -2.96 119.26 118.68 2crb h ALA 41 Ca 0.12 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2crb h ALA 41 Cb 0.69 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 2crb h ALA 41 CO 0.05 -0.53 -0.28 1.79 0.00 0.00 0.00 179.25 180.28 2crb h THR 42 N -0.57 0.26 -1.00 0.00 1.35 -1.48 0.14 112.91 111.61 2crb h THR 42 Ca -0.03 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.01 2crb h THR 42 Cb 0.42 0.26 -0.10 0.00 -1.73 0.00 0.00 68.15 67.00 2crb h THR 42 CO 0.05 0.00 0.62 0.74 -0.25 0.00 0.00 175.52 176.68 2crb h THR 43 N -0.17 0.74 0.11 6.82 2.02 -1.51 0.76 112.91 121.68 2crb h THR 43 Ca 0.22 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2crb h THR 43 Cb 0.51 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2crb h THR 43 CO -0.59 0.14 -0.05 0.22 0.37 0.00 0.00 175.52 175.61 2crb h TYR 44 N 0.77 -0.14 -0.64 3.16 3.20 -0.62 -2.18 116.97 120.53 2crb h TYR 44 Ca 0.56 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.47 2crb h TYR 44 Cb 0.86 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.13 2crb h TYR 44 CO -0.00 0.17 0.37 -0.07 -1.64 0.00 0.00 178.16 176.99 2crb h LEU 45 N -0.46 0.58 -1.89 2.82 3.38 -0.29 -0.92 115.31 118.53 2crb h LEU 45 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2crb h LEU 45 Cb 0.37 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2crb h LEU 45 CO 0.03 0.39 -0.09 -1.28 0.09 0.00 0.00 178.44 177.57 2crb h SER 46 N 0.71 0.00 1.24 -0.43 0.87 -0.85 -1.04 113.55 114.05 2crb h SER 46 Ca 0.27 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 2crb h SER 46 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2crb h SER 46 CO -0.14 0.09 -0.32 -0.33 -0.53 0.00 0.00 176.83 175.61 2crb h GLU 47 N 0.00 0.00 0.15 2.24 4.39 -0.51 -3.17 114.58 117.68 2crb h GLU 47 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2crb h GLU 47 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2crb h GLU 47 CO 0.01 0.32 -0.07 0.00 -1.16 0.00 0.00 179.01 178.10 2crb h ALA 48 N 1.68 -0.53 -0.46 3.43 0.00 -0.64 -3.04 119.26 119.70 2crb h ALA 48 Ca -0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2crb h ALA 48 Cb 1.02 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2crb h ALA 48 CO 0.04 -0.51 0.66 0.00 0.00 0.00 0.00 179.25 179.43 2crb h MET 49 N -0.37 0.00 -0.17 0.00 -0.00 -1.66 0.72 114.93 113.45 2crb h MET 49 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.53 2crb h MET 49 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 2crb h MET 49 CO 0.03 0.00 -0.52 0.87 -0.00 0.00 0.00 176.91 177.30 2crb h LYS 50 N 0.00 0.47 0.00 -0.10 1.57 -1.54 -3.36 116.57 113.61 2crb h LYS 50 Ca 0.22 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2crb h LYS 50 Cb 1.53 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.87 2crb h LYS 50 CO -0.00 0.88 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.40 2crb h LEU 51 N 0.37 0.00 -9.50 2.94 4.07 0.52 -3.46 115.31 110.24 2crb h LEU 51 Ca 0.01 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.37 2crb h LEU 51 Cb 1.03 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.85 2crb h LEU 51 CO 0.09 0.59 0.59 1.07 -1.08 0.00 0.00 178.44 179.71 2crb n THR 52 N -4.43 0.63 -0.04 0.22 5.66 -0.49 -4.90 114.28 110.93 2crb n THR 52 Ca -0.04 -0.16 -0.02 0.00 -3.05 0.00 0.00 64.05 60.78 2crb n THR 52 Cb 0.15 -1.34 -0.14 0.00 -1.55 0.00 0.00 70.33 67.44 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 2.36 0.66 -1.17 1.09 2.13 -1.26 -4.79 120.64 119.66 2crb n GLU 53 Ca 0.14 0.01 -0.34 0.00 0.66 0.00 0.00 57.16 57.63 2crb n GLU 53 Cb 0.29 -1.60 0.11 0.00 0.27 0.00 0.00 31.44 30.51 2crb n GLU 53 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2crb n SER 54 N -2.67 0.67 -0.05 4.31 2.88 -1.26 -4.97 113.62 112.53 2crb n SER 54 Ca -0.19 0.60 -0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2crb n SER 54 Cb 0.93 -1.46 -0.00 0.00 -0.75 0.00 0.00 64.21 62.93 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 -0.73 0.00 -0.78 -1.46 4.81 -1.99 -3.17 114.58 111.27 2crb h GLU 55 Ca -0.46 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2crb h GLU 55 Cb 1.31 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.58 2crb h GLU 55 CO 0.46 0.00 -0.54 1.96 -0.73 0.00 0.00 179.01 180.15 2crb h GLN 56 N -0.94 -0.14 -0.43 1.92 1.08 -1.99 0.13 115.11 114.74 2crb h GLN 56 Ca 0.00 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.30 2crb h GLN 56 Cb 0.00 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.37 2crb h GLN 56 CO 0.00 -0.09 -0.25 0.00 -0.95 0.00 0.00 178.83 177.54 2crb h ALA 57 N 0.44 0.02 -0.05 3.87 0.00 -1.94 -0.64 119.26 120.96 2crb h ALA 57 Ca 0.15 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2crb h ALA 57 Cb 0.50 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2crb h ALA 57 CO -0.81 -0.61 -0.22 1.25 0.00 0.00 0.00 179.25 178.85 2crb h HIS 58 N -0.17 -0.60 -0.20 0.00 -0.00 -0.97 -2.67 115.15 110.54 2crb h HIS 58 Ca 0.20 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.65 2crb h HIS 58 Cb 0.48 0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 28.09 2crb h HIS 58 CO -0.49 -0.31 -0.31 -0.07 -0.00 0.00 0.00 177.93 176.75 2crb h LEU 59 N -0.33 -0.99 -1.52 0.26 4.07 -0.01 0.30 115.31 117.09 2crb h LEU 59 Ca 0.07 0.16 0.13 0.00 0.08 0.00 0.00 57.88 58.32 2crb h LEU 59 Cb 0.43 0.44 -0.02 0.00 1.08 0.00 0.00 40.66 42.59 2crb h LEU 59 CO -0.24 -0.34 0.68 0.28 -1.08 0.00 0.00 178.44 177.75 2crb h SER 60 N -0.35 0.00 0.00 -0.43 0.02 -0.81 -1.28 113.55 110.70 2crb h SER 60 Ca 0.12 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2crb h SER 60 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2crb h SER 60 CO -0.40 0.00 -0.76 0.18 -1.14 0.00 0.00 176.83 174.71 2crb n LEU 61 N -3.28 1.82 -0.31 5.07 4.77 0.82 -3.45 117.00 122.44 2crb n LEU 61 Ca 0.09 0.57 0.16 0.00 -0.03 0.00 0.00 56.01 56.80 2crb n LEU 61 Cb 0.85 -0.90 0.34 0.00 -2.33 0.00 0.00 43.42 41.37 2crb n LEU 61 CO 0.20 -0.23 0.94 1.05 -1.33 0.00 0.00 177.39 178.02 2crb h GLU 62 N -1.00 0.14 -0.46 3.23 4.11 0.17 0.56 114.58 121.32 2crb h GLU 62 Ca -0.12 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.21 2crb h GLU 62 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2crb h GLU 62 CO -0.07 0.09 -0.09 -0.07 0.07 0.00 0.00 179.01 178.94 2crb h LEU 63 N 0.15 0.88 -0.27 3.06 3.38 -1.47 -2.86 115.31 118.18 2crb h LEU 63 Ca 0.61 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2crb h LEU 63 Cb 1.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2crb h LEU 63 CO -0.73 1.03 0.16 -0.61 0.09 0.00 0.00 178.44 178.38 2crb h GLN 64 N 0.72 0.38 -0.44 1.13 4.15 -0.04 -2.91 115.11 118.10 2crb h GLN 64 Ca 0.12 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.58 2crb h GLN 64 Cb 0.63 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 2crb h GLN 64 CO 0.04 0.31 0.06 -0.09 -1.93 0.00 0.00 178.83 177.22 2crb h ARG 65 N 0.33 0.18 0.00 1.69 2.43 -0.79 -2.95 114.38 115.27 2crb h ARG 65 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2crb h ARG 65 Cb 0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2crb h ARG 65 CO -0.02 0.12 0.00 -3.47 -1.51 0.00 0.00 179.97 175.09 2crb n ASP 66 N -5.14 0.00 0.01 -3.80 2.03 -1.08 -1.27 116.55 107.30 2crb n ASP 66 Ca 0.04 0.75 -0.15 0.00 0.52 0.00 0.00 54.79 55.94 2crb n ASP 66 Cb 0.21 -0.37 -0.10 0.00 -0.72 0.00 0.00 41.12 40.15 2crb n ASP 66 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2crb h SER 67 N 0.00 -1.71 -1.52 1.67 4.64 -1.62 0.24 113.55 115.24 2crb h SER 67 Ca 0.00 0.20 0.44 0.00 -0.47 0.00 0.00 61.79 61.96 2crb h SER 67 Cb 0.00 0.66 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 2crb h SER 67 CO 0.00 -0.50 1.17 1.41 -0.87 0.00 0.00 176.83 178.05 2crb n HIS 68 N -5.44 0.00 -0.08 4.77 8.25 -0.40 0.12 115.22 122.45 2crb n HIS 68 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.17 2crb n HIS 68 Cb 0.38 -0.38 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 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 -3.49 0.66 -0.34 -0.41 2.00 0.42 -3.79 117.12 112.17 2crb n MET 69 Ca 0.34 0.28 0.18 0.00 0.00 0.00 0.00 57.70 58.50 2crb n MET 69 Cb 1.63 -1.61 0.39 0.00 0.00 0.00 0.00 33.22 33.63 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 -0.34 0.52 0.19 0.03 2.10 0.40 -1.45 116.57 118.03 2crb h LYS 70 Ca -0.52 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.09 2crb h LYS 70 Cb 1.79 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 33.00 2crb h LYS 70 CO -0.12 0.34 -0.09 1.96 -2.00 0.00 0.00 179.45 179.54 2crb h GLN 71 N 0.53 -0.25 -0.99 0.07 1.08 -1.43 -2.91 115.11 111.22 2crb h GLN 71 Ca 0.65 0.02 0.17 0.00 -1.45 0.00 0.00 58.65 58.04 2crb h GLN 71 Cb 1.28 0.06 -0.17 0.00 -0.05 0.00 0.00 27.48 28.60 2crb h GLN 71 CO -0.50 0.15 -0.35 1.25 -0.95 0.00 0.00 178.83 178.43 2crb h LEU 72 N -0.83 -1.28 -1.59 1.46 5.85 -1.38 1.72 115.31 119.25 2crb h LEU 72 Ca -0.03 0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2crb h LEU 72 Cb 0.52 0.71 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2crb h LEU 72 CO 0.04 -0.30 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.71 2crb h LEU 73 N -0.00 0.16 0.00 2.25 3.38 -1.48 0.11 115.31 119.73 2crb h LEU 73 Ca 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2crb h LEU 73 Cb 0.63 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2crb h LEU 73 CO -0.99 0.26 -0.16 -0.07 0.09 0.00 0.00 178.44 177.56 2crb h LEU 74 N 0.17 0.00 0.15 1.67 3.38 0.23 -3.23 115.31 117.68 2crb h LEU 74 Ca 0.04 -0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 2crb h LEU 74 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2crb h LEU 74 CO 0.01 0.00 -1.80 0.40 0.09 0.00 0.00 178.44 177.14 2crb h ILE 75 N 0.00 0.82 -0.07 1.22 2.04 0.21 -3.22 117.51 118.50 2crb h ILE 75 Ca 0.00 -2.42 0.02 0.00 1.00 0.00 0.00 64.86 63.46 2crb h ILE 75 Cb 0.99 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 2crb h ILE 75 CO 0.00 0.85 -0.06 1.56 0.00 0.00 0.00 178.15 180.50 2crb h GLN 76 N 0.02 -0.06 -0.51 2.37 4.20 -0.93 -1.02 115.11 119.18 2crb h GLN 76 Ca -0.37 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 2crb h GLN 76 Cb 2.02 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.79 2crb h GLN 76 CO 0.12 -0.04 0.20 1.05 -0.67 0.00 0.00 178.83 179.49 2crb h GLU 77 N -0.07 0.72 0.00 1.46 4.11 -1.73 -0.69 114.58 118.38 2crb h GLU 77 Ca 0.05 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2crb h GLU 77 Cb 0.14 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2crb h GLU 77 CO -0.11 0.59 0.00 0.54 0.07 0.00 0.00 179.01 180.10 2crb n ARG 78 N -4.35 0.04 -0.10 1.06 5.12 -0.85 -3.37 116.66 114.22 2crb n ARG 78 Ca 0.04 0.19 -0.21 0.00 -1.93 0.00 0.00 57.85 55.94 2crb n ARG 78 Cb 0.15 -1.56 -0.12 0.00 -1.16 0.00 0.00 32.46 29.77 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 0.03 -0.67 -1.55 7.01 0.17 -3.29 115.95 117.65 2crb h TRP 79 Ca 0.00 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.11 2crb h TRP 79 Cb 0.37 -0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.30 2crb h TRP 79 CO 0.00 1.46 -0.21 0.87 -2.79 0.00 0.00 178.44 177.77 2crb h LYS 80 N -0.95 -0.04 -0.75 2.65 1.57 -1.45 0.15 116.57 117.75 2crb h LYS 80 Ca -0.32 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2crb h LYS 80 Cb 1.31 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 2crb h LYS 80 CO -0.18 -0.03 0.49 0.00 -0.57 0.00 0.00 179.45 179.17 2crb h ARG 81 N -0.04 0.96 -0.04 3.15 -0.00 -1.75 -1.30 114.38 115.37 2crb h ARG 81 Ca 0.31 -0.06 0.01 0.00 -0.50 0.00 0.00 59.98 59.74 2crb h ARG 81 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 29.97 30.27 2crb h ARG 81 CO -0.70 0.64 0.04 0.00 0.00 0.00 0.00 179.97 179.94 2crb h ALA 82 N 1.29 1.69 -0.74 0.04 0.00 -0.81 -1.06 119.26 119.66 2crb h ALA 82 Ca 0.28 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2crb h ALA 82 Cb -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2crb h ALA 82 CO -0.07 -0.06 0.27 0.87 0.00 0.00 0.00 179.25 180.26 2crb h LYS 83 N 0.00 1.12 0.18 0.00 1.79 -0.06 -0.21 116.57 119.39 2crb h LYS 83 Ca 0.02 -0.22 -0.27 0.00 -2.18 0.00 0.00 60.65 58.01 2crb h LYS 83 Cb 0.09 -0.17 0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2crb h LYS 83 CO -0.00 0.93 -1.22 0.07 -1.08 0.00 0.00 179.45 178.15 2crb h ARG 84 N 1.07 0.38 -0.32 3.15 0.11 -1.33 -2.57 114.38 114.88 2crb h ARG 84 Ca 0.24 -0.65 0.02 0.00 0.10 0.00 0.00 59.98 59.69 2crb h ARG 84 Cb 0.25 0.24 -0.03 0.00 1.11 0.00 0.00 29.97 31.54 2crb h ARG 84 CO -0.02 1.31 0.16 0.93 0.10 0.00 0.00 179.97 182.45 2crb h GLU 85 N -0.15 0.32 -0.06 0.08 4.39 -1.19 -2.37 114.58 115.60 2crb h GLU 85 Ca -0.23 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 2crb h GLU 85 Cb 1.88 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.46 2crb h GLU 85 CO 0.18 0.21 -0.03 1.49 -1.16 0.00 0.00 179.01 179.70 2crb h GLU 86 N 0.33 0.13 -0.88 2.33 4.57 -1.16 -3.15 114.58 116.74 2crb h GLU 86 Ca 0.13 -0.06 0.24 0.00 -1.18 0.00 0.00 59.36 58.50 2crb h GLU 86 Cb 0.05 -0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.49 2crb h GLU 86 CO -0.10 0.51 0.21 0.00 -1.18 0.00 0.00 179.01 178.45 2crb h ARG 87 N -0.26 0.17 0.05 1.92 2.47 -1.30 0.28 114.38 117.71 2crb h ARG 87 Ca 0.01 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2crb h ARG 87 Cb 0.47 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 2crb h ARG 87 CO 0.01 0.11 -0.12 -0.07 0.56 0.00 0.00 179.97 180.46 2crb h LEU 88 N 0.18 -0.34 -0.30 3.04 4.07 -1.39 -0.86 115.31 119.71 2crb h LEU 88 Ca 0.55 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.56 2crb h LEU 88 Cb 1.13 0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.00 2crb h LEU 88 CO -0.68 -0.18 0.00 2.29 -1.08 0.00 0.00 178.44 178.79 2crb n LYS 89 N -5.25 1.14 -3.54 1.13 2.85 0.21 -4.72 118.16 109.98 2crb n LYS 89 Ca -0.06 -0.20 -0.41 0.00 -1.05 0.00 0.00 58.31 56.60 2crb n LYS 89 Cb 0.17 -1.09 -0.11 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.85 3.45 -0.04 0.58 0.00 0.73 -4.97 121.76 119.67 2crb s ALA 90 Ca 0.04 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 2crb s ALA 90 Cb 0.02 -2.66 -0.19 0.00 0.00 0.00 0.00 23.12 20.29 2crb s ALA 90 CO 0.02 -1.09 1.10 1.25 0.00 0.00 0.00 175.76 177.04 2crb h HIS 91 N 8.49 -0.11 -0.74 0.00 2.76 -1.84 -3.27 115.15 120.45 2crb h HIS 91 Ca -0.30 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.04 2crb h HIS 91 Cb 1.14 0.04 -0.14 0.00 1.55 0.00 0.00 27.41 30.00 2crb h HIS 91 CO 0.63 0.39 -0.09 0.43 -1.30 0.00 0.00 177.93 177.99 2crb n SER 92 N -4.89 -0.18 -4.85 3.26 7.64 -1.26 -4.39 113.62 108.95 2crb n SER 92 Ca -0.08 1.26 -0.22 0.00 1.01 0.00 0.00 58.87 60.83 2crb n SER 92 Cb 0.27 -0.42 0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2crb n SER 92 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crb s GLY 93 N -4.18 1.79 0.21 0.23 0.00 -1.23 -5.05 107.32 99.08 2crb s GLY 93 Ca -0.10 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 2crb s GLY 93 CO 0.57 -1.09 1.30 2.56 0.00 0.00 0.00 173.10 176.44 2crb s PRO 94 N -4.94 4.40 -0.20 2.90 0.04 -1.26 -4.92 135.00 131.02 2crb s PRO 94 Ca 0.61 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 2crb s PRO 94 Cb -0.08 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2crb s PRO 94 CO 0.41 -0.23 0.09 -1.54 0.04 0.00 0.00 177.00 175.77 2crb s SER 95 N 0.26 5.73 -0.12 6.66 1.04 -1.26 -4.84 113.70 121.18 2crb s SER 95 Ca 0.56 0.08 0.02 0.00 0.48 0.00 0.00 55.95 57.09 2crb s SER 95 Cb -0.36 -2.00 -0.00 0.00 0.10 0.00 0.00 66.02 63.75 2crb s SER 95 CO 0.39 0.14 -0.20 -0.55 0.98 0.00 0.00 173.24 174.00 2crb s SER 96 N 0.59 3.43 0.00 7.02 0.15 -1.26 -5.15 113.70 118.48 2crb s SER 96 Ca 0.05 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2crb s SER 96 Cb -0.13 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2crb s SER 96 CO 0.01 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.21