#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 5.25 -0.14 1.61 1.04 -1.26 -5.12 113.70 115.07 2crb s SER 2 Ca 0.00 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2crb s SER 2 Cb 0.00 -1.18 -0.01 0.00 0.10 0.00 0.00 66.02 64.93 2crb s SER 2 CO 0.00 -0.10 -0.15 -0.94 0.98 0.00 0.00 173.24 173.02 2crb s SER 3 N -3.84 3.73 -1.12 7.02 1.04 -1.26 -4.70 113.70 114.57 2crb s SER 3 Ca 0.34 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 2crb s SER 3 Cb -0.07 -1.57 -0.00 0.00 0.10 0.00 0.00 66.02 64.48 2crb s SER 3 CO 0.24 0.11 0.94 0.61 0.98 0.00 0.00 173.24 176.13 2crb n GLY 4 N 3.86 -0.37 4.46 7.32 0.00 -1.26 -2.49 105.19 116.72 2crb n GLY 4 Ca -0.19 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2crb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2crb n SER 5 N -3.02 -1.57 -4.69 1.61 3.41 -1.26 -4.89 113.62 103.21 2crb n SER 5 Ca -0.26 -1.22 -0.36 0.00 -0.26 0.00 0.00 58.87 56.77 2crb n SER 5 Cb 0.66 -1.78 -0.09 0.00 -0.26 0.00 0.00 64.21 62.74 2crb n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crb s SER 6 N -3.45 6.18 0.00 4.04 0.01 -1.04 -4.87 113.70 114.58 2crb s SER 6 Ca 0.69 0.20 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2crb s SER 6 Cb -0.40 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2crb s SER 6 CO 1.01 0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.36 2crb n GLY 7 N 3.99 -0.59 2.57 3.44 0.00 -1.26 -4.41 105.19 108.92 2crb n GLY 7 Ca -0.15 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2crb n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2crb n MET 8 N 0.00 2.96 0.21 1.61 2.00 -1.26 -4.76 117.12 117.88 2crb n MET 8 Ca 0.00 -3.71 0.12 0.00 0.00 0.00 0.00 57.70 54.11 2crb n MET 8 Cb 0.00 -2.27 0.40 0.00 0.00 0.00 0.00 33.22 31.34 2crb n MET 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2crb h GLU 9 N 2.54 0.00 0.00 0.03 4.81 -1.93 -1.41 114.58 118.62 2crb h GLU 9 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2crb h GLU 9 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2crb h GLU 9 CO 1.30 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.99 2crb n GLY 10 N -1.45 -2.64 0.14 1.92 0.00 -1.26 -1.87 105.19 100.03 2crb n GLY 10 Ca 0.04 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.17 1.61 0.13 -1.95 -3.25 132.00 128.71 2crb h PRO 11 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.00 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.62 2crb h LEU 12 N 0.00 -0.19 -0.52 1.56 3.38 -1.32 -2.97 115.31 115.24 2crb h LEU 12 Ca 0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2crb h LEU 12 Cb 0.37 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 2crb h LEU 12 CO 0.00 -0.02 -0.49 -1.13 0.09 0.00 0.00 178.44 176.89 2crb h ASN 13 N -0.46 -1.66 -0.86 -0.43 -0.73 -1.44 0.88 115.58 110.89 2crb h ASN 13 Ca -0.02 0.25 0.22 0.00 1.87 0.00 0.00 56.30 58.61 2crb h ASN 13 Cb 0.18 0.72 -0.15 0.00 0.27 0.00 0.00 38.32 39.34 2crb h ASN 13 CO 0.04 -0.36 0.12 -0.07 -0.37 0.00 0.00 177.43 176.79 2crb h LEU 14 N -0.29 -0.21 -1.07 0.34 3.38 -1.70 0.64 115.31 116.41 2crb h LEU 14 Ca 0.14 0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2crb h LEU 14 Cb 0.57 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2crb h LEU 14 CO -0.66 -0.20 0.30 0.00 0.09 0.00 0.00 178.44 177.97 2crb h ALA 15 N 1.80 1.27 -0.33 1.53 0.00 -0.70 -2.80 119.26 120.03 2crb h ALA 15 Ca 0.51 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2crb h ALA 15 Cb 1.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2crb h ALA 15 CO -0.71 0.55 -0.01 0.45 0.00 0.00 0.00 179.25 179.53 2crb h HIS 16 N 0.95 0.65 -0.79 0.00 3.86 0.14 -1.49 115.15 118.47 2crb h HIS 16 Ca 0.23 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 2crb h HIS 16 Cb 0.13 -0.17 -0.10 0.00 1.06 0.00 0.00 27.41 28.33 2crb h HIS 16 CO 0.01 0.72 -0.57 1.96 0.86 0.00 0.00 177.93 180.91 2crb h GLN 17 N 0.39 -0.12 -0.33 2.45 4.20 -0.74 -0.79 115.11 120.17 2crb h GLN 17 Ca 0.09 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 2crb h GLN 17 Cb 0.47 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2crb h GLN 17 CO 0.02 -0.08 -0.17 -0.56 -0.67 0.00 0.00 178.83 177.37 2crb h GLN 18 N -0.13 0.69 -0.74 1.46 3.07 -1.58 -2.94 115.11 114.95 2crb h GLN 18 Ca 0.13 -0.31 0.21 0.00 0.09 0.00 0.00 58.65 58.77 2crb h GLN 18 Cb 0.46 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.97 2crb h GLN 18 CO -0.81 0.91 1.07 1.03 0.09 0.00 0.00 178.83 181.11 2crb h SER 19 N 0.46 0.00 0.15 0.06 0.87 -0.05 1.45 113.55 116.48 2crb h SER 19 Ca 0.07 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.36 2crb h SER 19 Cb 0.70 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.69 2crb h SER 19 CO 0.05 0.00 -1.14 0.03 -0.53 0.00 0.00 176.83 175.24 2crb h ARG 20 N 0.00 0.51 -0.43 2.24 2.47 -1.22 -3.33 114.38 114.62 2crb h ARG 20 Ca 0.35 -0.75 0.08 0.00 -1.26 0.00 0.00 59.98 58.40 2crb h ARG 20 Cb 2.48 0.26 -0.06 0.00 -1.65 0.00 0.00 29.97 30.99 2crb h ARG 20 CO -0.00 1.34 0.04 -0.09 0.56 0.00 0.00 179.97 181.82 2crb h ARG 21 N 0.06 0.16 -1.01 0.04 2.43 0.19 0.01 114.38 116.26 2crb h ARG 21 Ca -0.18 -0.01 0.28 0.00 -0.81 0.00 0.00 59.98 59.25 2crb h ARG 21 Cb 1.85 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 31.31 2crb h ARG 21 CO 0.22 0.10 0.70 0.00 -1.51 0.00 0.00 179.97 179.48 2crb h ALA 22 N 1.35 2.68 0.10 2.80 0.00 -1.63 -0.59 119.26 123.99 2crb h ALA 22 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2crb h ALA 22 Cb 0.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2crb h ALA 22 CO -0.32 -1.00 -0.05 0.22 0.00 0.00 0.00 179.25 178.10 2crb h ASP 23 N 0.15 -0.12 -0.97 0.00 1.82 -1.13 -2.66 116.42 113.52 2crb h ASP 23 Ca 0.51 -0.45 0.16 0.00 -0.39 0.00 0.00 57.03 56.86 2crb h ASP 23 Cb 1.73 0.03 -0.10 0.00 0.68 0.00 0.00 39.33 41.67 2crb h ASP 23 CO -0.10 0.51 0.57 0.03 -1.61 0.00 0.00 179.24 178.64 2crb h ARG 24 N -0.86 0.77 -0.26 0.28 2.47 -0.73 -1.19 114.38 114.86 2crb h ARG 24 Ca -0.01 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 2crb h ARG 24 Cb 0.56 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2crb h ARG 24 CO 0.02 0.51 0.03 -0.07 0.56 0.00 0.00 179.97 181.02 2crb h LEU 25 N 0.79 0.43 -0.58 3.04 3.38 -1.23 -3.08 115.31 118.05 2crb h LEU 25 Ca 0.53 -0.27 0.12 0.00 0.09 0.00 0.00 57.88 58.35 2crb h LEU 25 Cb 0.74 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2crb h LEU 25 CO -0.35 0.59 -0.06 0.25 0.09 0.00 0.00 178.44 178.97 2crb h LEU 26 N 0.24 -0.37 -1.01 1.67 5.85 -0.85 0.11 115.31 120.96 2crb h LEU 26 Ca 0.08 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.07 2crb h LEU 26 Cb 0.36 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 2crb h LEU 26 CO 0.01 -0.14 0.64 0.00 -0.34 0.00 0.00 178.44 178.60 2crb h ALA 27 N 1.55 1.52 0.00 1.25 0.00 -1.38 0.41 119.26 122.60 2crb h ALA 27 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2crb h ALA 27 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2crb h ALA 27 CO -0.54 0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.95 2crb n ALA 28 N -2.35 2.27 -0.71 0.00 0.00 0.26 -4.84 120.51 115.14 2crb n ALA 28 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2crb n ALA 28 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.55 0.63 2.52 0.00 0.00 0.14 -4.95 105.19 104.09 2crb n GLY 29 Ca 0.14 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.71 2.43 -0.26 1.61 4.76 -0.45 -4.77 118.16 118.76 2crb n LYS 30 Ca 0.00 -2.48 -0.07 0.00 -2.87 0.00 0.00 58.31 52.89 2crb n LYS 30 Cb 0.00 -2.14 -0.06 0.00 -1.84 0.00 0.00 35.03 30.98 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 2.94 -1.17 -0.50 2.13 -1.99 -1.82 -0.74 116.97 115.82 2crb h TYR 31 Ca 0.41 0.08 0.06 0.00 2.00 0.00 0.00 58.73 61.29 2crb h TYR 31 Cb 0.64 0.59 -0.09 0.00 2.00 0.00 0.00 36.73 39.87 2crb h TYR 31 CO 1.41 -0.23 -0.52 1.05 -0.00 0.00 0.00 178.16 179.87 2crb h GLU 32 N -0.00 -0.31 -1.31 4.88 4.11 -1.88 0.38 114.58 120.45 2crb h GLU 32 Ca 0.10 0.02 0.45 0.00 0.07 0.00 0.00 59.36 60.00 2crb h GLU 32 Cb 0.25 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.43 2crb h GLU 32 CO -0.58 -0.20 0.83 0.93 0.07 0.00 0.00 179.01 180.06 2crb h GLU 33 N -0.32 0.04 0.19 1.06 4.39 -1.55 0.66 114.58 119.05 2crb h GLU 33 Ca 0.11 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.53 2crb h GLU 33 Cb 0.57 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2crb h GLU 33 CO -0.65 0.03 -1.29 0.00 -1.16 0.00 0.00 179.01 175.94 2crb h ALA 34 N 1.65 -0.04 -0.29 3.43 0.00 0.25 -3.25 119.26 121.01 2crb h ALA 34 Ca 0.85 -0.88 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2crb h ALA 34 Cb 2.65 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 20.64 2crb h ALA 34 CO -0.48 0.65 -0.20 0.82 0.00 0.00 0.00 179.25 180.04 2crb h ILE 35 N -0.10 0.00 0.38 0.00 2.04 0.30 0.41 117.51 120.54 2crb h ILE 35 Ca -0.24 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2crb h ILE 35 Cb 1.92 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2crb h ILE 35 CO 0.19 0.00 -0.43 0.77 0.00 0.00 0.00 178.15 178.67 2crb h SER 36 N -0.05 -1.21 -1.37 1.72 4.64 -1.67 -1.40 113.55 114.21 2crb h SER 36 Ca 0.05 0.10 0.43 0.00 -0.47 0.00 0.00 61.79 61.90 2crb h SER 36 Cb 0.17 0.41 -0.11 0.00 -0.31 0.00 0.00 62.40 62.55 2crb h SER 36 CO -0.29 -0.56 0.91 0.00 -0.87 0.00 0.00 176.83 176.02 2crb h HIS 38 N 0.09 0.73 0.00 0.00 6.17 0.84 -2.99 115.15 120.00 2crb h HIS 38 Ca 0.80 -0.27 -0.05 0.00 0.71 0.00 0.00 60.37 61.56 2crb h HIS 38 Cb 2.62 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 32.41 2crb h HIS 38 CO -0.00 1.02 -0.24 0.00 0.71 0.00 0.00 177.93 179.42 2crb h ARG 39 N 0.43 0.00 -0.68 5.26 3.08 0.27 -3.01 114.38 119.74 2crb h ARG 39 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2crb h ARG 39 Cb 1.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2crb h ARG 39 CO 0.11 0.24 0.45 0.87 -1.07 0.00 0.00 179.97 180.57 2crb h LYS 40 N 0.00 0.88 0.27 0.04 1.79 -1.04 -2.55 116.57 115.96 2crb h LYS 40 Ca -0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2crb h LYS 40 Cb 0.77 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2crb h LYS 40 CO 0.03 0.58 -0.13 0.00 -1.08 0.00 0.00 179.45 178.86 2crb h ALA 41 N 1.58 -0.36 -0.94 3.86 0.00 -1.62 -3.09 119.26 118.69 2crb h ALA 41 Ca 0.25 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.22 2crb h ALA 41 Cb -0.09 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 17.66 2crb h ALA 41 CO -0.06 -0.37 -0.09 1.79 0.00 0.00 0.00 179.25 180.51 2crb h THR 42 N -1.01 0.08 -0.18 0.00 1.35 -1.55 0.36 112.91 111.96 2crb h THR 42 Ca -0.04 -0.01 0.03 0.00 -0.55 0.00 0.00 66.41 65.84 2crb h THR 42 Cb 0.44 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.89 2crb h THR 42 CO 0.06 0.00 0.03 0.74 -0.25 0.00 0.00 175.52 176.10 2crb h THR 43 N 0.02 0.91 -0.43 6.82 2.02 -1.54 -0.05 112.91 120.65 2crb h THR 43 Ca 0.51 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.66 2crb h THR 43 Cb 0.92 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2crb h THR 43 CO -0.91 0.02 0.27 0.22 0.37 0.00 0.00 175.52 175.49 2crb h TYR 44 N 0.10 0.52 -0.73 3.16 3.20 -0.32 -2.41 116.97 120.48 2crb h TYR 44 Ca 0.08 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2crb h TYR 44 Cb 0.08 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2crb h TYR 44 CO -0.14 0.32 0.48 -0.07 -1.64 0.00 0.00 178.16 177.10 2crb h LEU 45 N 0.56 0.84 -1.67 2.82 3.38 -0.53 -0.76 115.31 119.95 2crb h LEU 45 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2crb h LEU 45 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2crb h LEU 45 CO -0.05 0.62 0.00 -1.28 0.09 0.00 0.00 178.44 177.82 2crb h SER 46 N 0.99 0.00 1.06 -0.43 0.87 -0.61 -1.16 113.55 114.27 2crb h SER 46 Ca 0.27 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 2crb h SER 46 Cb -0.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2crb h SER 46 CO -0.06 0.00 -0.99 -0.33 -0.53 0.00 0.00 176.83 174.92 2crb h GLU 47 N 0.00 0.00 0.26 2.24 5.08 -0.67 -3.27 114.58 118.21 2crb h GLU 47 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2crb h GLU 47 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2crb h GLU 47 CO 0.00 0.26 -0.12 0.00 -1.00 0.00 0.00 179.01 178.15 2crb h ALA 48 N 1.61 -0.35 -0.97 3.43 0.00 -0.86 -3.08 119.26 119.04 2crb h ALA 48 Ca -0.08 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.86 2crb h ALA 48 Cb 1.37 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 2crb h ALA 48 CO 0.04 -0.35 0.61 0.00 0.00 0.00 0.00 179.25 179.55 2crb h MET 49 N -1.04 0.74 0.00 0.00 -0.00 -1.71 0.47 114.93 113.39 2crb h MET 49 Ca -0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 2crb h MET 49 Cb 0.39 -0.17 -0.00 0.00 -0.00 0.00 0.00 31.60 31.82 2crb h MET 49 CO 0.06 0.49 -0.09 0.87 -0.00 0.00 0.00 176.91 178.24 2crb h LYS 50 N 0.76 0.00 0.00 -0.10 1.57 -1.64 -3.23 116.57 113.94 2crb h LYS 50 Ca 0.52 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.20 2crb h LYS 50 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2crb h LYS 50 CO -0.29 0.09 -0.95 -0.11 -0.57 0.00 0.00 179.45 177.62 2crb n LEU 51 N -3.71 1.86 -4.66 2.94 7.94 0.13 -4.92 117.00 116.57 2crb n LEU 51 Ca -0.02 0.51 -0.48 0.00 -1.11 0.00 0.00 56.01 54.91 2crb n LEU 51 Cb 0.20 -0.87 -0.05 0.00 0.53 0.00 0.00 43.42 43.23 2crb n LEU 51 CO 0.29 -0.17 1.23 1.07 -1.11 0.00 0.00 177.39 178.70 2crb n THR 52 N -4.51 0.14 -1.11 1.96 5.66 0.87 -4.87 114.28 112.42 2crb n THR 52 Ca -0.18 -0.03 -0.10 0.00 -3.05 0.00 0.00 64.05 60.69 2crb n THR 52 Cb 0.46 -1.52 0.27 0.00 -1.55 0.00 0.00 70.33 67.99 2crb n THR 52 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2crb n GLU 53 N 4.09 3.32 -4.20 1.09 1.02 -1.26 -4.83 120.64 119.87 2crb n GLU 53 Ca 0.19 -3.08 -0.23 0.00 -0.02 0.00 0.00 57.16 54.02 2crb n GLU 53 Cb 0.27 -2.20 -0.06 0.00 -0.02 0.00 0.00 31.44 29.44 2crb n GLU 53 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2crb s SER 54 N -1.16 5.02 -0.11 1.62 0.01 -1.26 -5.07 113.70 112.75 2crb s SER 54 Ca 0.55 -0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 2crb s SER 54 Cb 0.45 -1.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 2crb s SER 54 CO 0.12 -0.01 0.08 -0.08 0.41 0.00 0.00 173.24 173.77 2crb h GLU 55 N 1.81 0.00 -0.28 12.44 4.81 -2.00 -3.14 114.58 128.22 2crb h GLU 55 Ca -0.46 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.83 2crb h GLU 55 Cb 1.24 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 2crb h GLU 55 CO 0.60 0.12 -0.29 1.96 -0.73 0.00 0.00 179.01 180.67 2crb h GLN 56 N -1.00 -0.27 0.01 1.92 1.08 -1.99 -0.70 115.11 114.15 2crb h GLN 56 Ca -0.00 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2crb h GLN 56 Cb 0.15 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 2crb h GLN 56 CO -0.00 -0.18 -0.48 0.00 -0.95 0.00 0.00 178.83 177.21 2crb h ALA 57 N 0.70 -0.91 -0.56 3.87 0.00 -1.96 -0.34 119.26 120.06 2crb h ALA 57 Ca 0.14 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2crb h ALA 57 Cb 0.51 0.91 -0.11 0.00 0.00 0.00 0.00 17.79 19.10 2crb h ALA 57 CO -0.44 -1.05 -0.21 1.25 0.00 0.00 0.00 179.25 178.80 2crb h HIS 58 N -0.61 -0.52 -0.02 0.00 -0.00 -1.42 -1.70 115.15 110.89 2crb h HIS 58 Ca 0.01 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2crb h HIS 58 Cb 0.65 0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 28.32 2crb h HIS 58 CO -0.50 -0.30 -0.36 -0.07 -0.00 0.00 0.00 177.93 176.70 2crb h LEU 59 N -0.08 -1.08 -1.43 0.26 4.07 -0.53 0.22 115.31 116.74 2crb h LEU 59 Ca 0.26 0.14 0.28 0.00 0.08 0.00 0.00 57.88 58.64 2crb h LEU 59 Cb 0.48 0.43 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 2crb h LEU 59 CO -0.61 -0.41 1.03 0.28 -1.08 0.00 0.00 178.44 177.65 2crb h SER 60 N -0.50 0.00 0.00 -0.43 0.02 -0.13 -0.79 113.55 111.72 2crb h SER 60 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2crb h SER 60 Cb 0.60 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 2crb h SER 60 CO -0.30 0.00 -0.68 0.18 -1.14 0.00 0.00 176.83 174.89 2crb n LEU 61 N -3.48 1.85 -0.58 5.07 4.77 0.18 -3.03 117.00 121.78 2crb n LEU 61 Ca 0.21 0.54 0.47 0.00 -0.03 0.00 0.00 56.01 57.21 2crb n LEU 61 Cb 1.34 -0.83 0.75 0.00 -2.33 0.00 0.00 43.42 42.34 2crb n LEU 61 CO 0.27 -0.40 1.44 1.05 -1.33 0.00 0.00 177.39 178.42 2crb h GLU 62 N -1.00 0.00 0.00 3.23 4.11 0.41 0.34 114.58 121.67 2crb h GLU 62 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 2crb h GLU 62 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2crb h GLU 62 CO -0.00 0.00 -0.65 -0.07 0.07 0.00 0.00 179.01 178.36 2crb h LEU 63 N 0.00 0.00 -2.13 3.06 3.38 -1.37 -3.31 115.31 114.94 2crb h LEU 63 Ca 0.82 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 58.50 2crb h LEU 63 Cb 3.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 44.24 2crb h LEU 63 CO -0.01 1.03 0.31 -0.61 0.09 0.00 0.00 178.44 179.25 2crb h GLN 64 N -1.00 0.00 -0.07 1.13 5.75 -0.64 -0.81 115.11 119.48 2crb h GLN 64 Ca -0.13 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.31 2crb h GLN 64 Cb 0.81 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.36 2crb h GLN 64 CO -0.08 0.00 -0.19 -0.09 -2.65 0.00 0.00 178.83 175.82 2crb h ARG 65 N 0.00 0.25 -0.14 1.69 2.43 -0.63 -2.95 114.38 115.04 2crb h ARG 65 Ca 0.07 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2crb h ARG 65 Cb 0.68 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2crb h ARG 65 CO -0.00 0.80 -0.08 -3.47 -1.51 0.00 0.00 179.97 175.70 2crb n ASP 66 N -4.55 -0.15 0.03 -3.80 2.03 -0.31 -1.12 116.55 108.69 2crb n ASP 66 Ca -0.08 0.99 -0.10 0.00 0.52 0.00 0.00 54.79 56.12 2crb n ASP 66 Cb 0.42 -0.40 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.41 -1.34 1.67 4.64 -1.69 0.16 113.55 116.57 2crb h SER 67 Ca 0.02 0.07 0.39 0.00 -0.47 0.00 0.00 61.79 61.80 2crb h SER 67 Cb 0.06 0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 2crb h SER 67 CO -0.13 -0.19 1.17 0.45 -0.87 0.00 0.00 176.83 177.27 2crb h HIS 68 N -0.20 0.00 0.02 4.77 3.86 -0.95 0.20 115.15 122.85 2crb h HIS 68 Ca 0.07 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.88 2crb h HIS 68 Cb 0.29 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 2crb h HIS 68 CO -0.22 0.00 -2.28 -1.33 0.86 0.00 0.00 177.93 174.96 2crb n MET 69 N -3.67 0.63 -0.37 2.45 2.00 -0.27 -4.04 117.12 113.85 2crb n MET 69 Ca 0.30 0.26 0.29 0.00 0.00 0.00 0.00 57.70 58.55 2crb n MET 69 Cb 1.59 -1.57 0.55 0.00 0.00 0.00 0.00 33.22 33.79 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 -0.50 0.24 -0.17 0.03 2.10 0.21 0.49 116.57 118.97 2crb h LYS 70 Ca -0.58 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 57.90 2crb h LYS 70 Cb 1.73 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.02 2crb h LYS 70 CO -0.21 0.16 -0.51 1.96 -2.00 0.00 0.00 179.45 178.85 2crb h GLN 71 N 0.24 0.65 0.42 0.07 1.08 -1.51 -3.14 115.11 112.92 2crb h GLN 71 Ca 0.74 -0.47 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2crb h GLN 71 Cb 1.99 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.48 2crb h GLN 71 CO -0.46 1.09 -0.39 1.25 -0.95 0.00 0.00 178.83 179.36 2crb h LEU 72 N 0.32 -1.07 -1.84 1.46 5.85 -0.19 -0.05 115.31 119.79 2crb h LEU 72 Ca -0.02 0.08 0.35 0.00 0.84 0.00 0.00 57.88 59.14 2crb h LEU 72 Cb 1.13 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 2crb h LEU 72 CO 0.11 -0.53 0.86 -0.07 -0.34 0.00 0.00 178.44 178.47 2crb h LEU 73 N -0.80 0.10 0.10 2.25 3.38 -1.46 -1.88 115.31 117.00 2crb h LEU 73 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2crb h LEU 73 Cb 0.69 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2crb h LEU 73 CO -0.04 0.00 -0.05 -0.07 0.09 0.00 0.00 178.44 178.38 2crb h LEU 74 N 0.08 -0.12 -1.61 1.67 3.38 -1.26 -3.15 115.31 114.31 2crb h LEU 74 Ca 0.61 0.00 0.43 0.00 0.09 0.00 0.00 57.88 59.02 2crb h LEU 74 Cb 2.25 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.97 2crb h LEU 74 CO -0.09 -0.00 1.26 0.40 0.09 0.00 0.00 178.44 180.10 2crb h ILE 75 N -0.30 0.05 0.22 1.22 2.04 -0.43 0.11 117.51 120.42 2crb h ILE 75 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2crb h ILE 75 Cb 0.11 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2crb h ILE 75 CO 0.02 0.00 -0.11 1.56 0.00 0.00 0.00 178.15 179.63 2crb h GLN 76 N 0.00 -0.28 -0.39 2.37 4.20 -1.38 -1.78 115.11 117.84 2crb h GLN 76 Ca 0.70 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.53 2crb h GLN 76 Cb 3.22 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 31.05 2crb h GLN 76 CO -0.01 -0.19 0.28 1.05 -0.67 0.00 0.00 178.83 179.29 2crb h GLU 77 N -0.39 0.06 0.00 1.46 4.11 -1.00 0.14 114.58 118.95 2crb h GLU 77 Ca -0.03 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.32 2crb h GLU 77 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2crb h GLU 77 CO 0.05 0.04 -0.34 0.00 0.07 0.00 0.00 179.01 178.82 2crb h ARG 78 N 0.06 0.00 0.05 1.06 2.47 -1.14 -3.18 114.38 113.70 2crb h ARG 78 Ca 0.18 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.82 2crb h ARG 78 Cb 0.66 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.99 2crb h ARG 78 CO -0.01 0.34 -0.35 2.35 0.56 0.00 0.00 179.97 182.86 2crb h TRP 79 N 0.00 0.26 -0.88 3.04 7.01 0.19 -3.11 115.95 122.46 2crb h TRP 79 Ca -0.00 -0.18 0.21 0.00 2.11 0.00 0.00 58.89 61.03 2crb h TRP 79 Cb 0.77 -0.01 -0.16 0.00 -2.10 0.00 0.00 29.16 27.65 2crb h TRP 79 CO 0.00 1.10 -0.05 0.87 -2.79 0.00 0.00 178.44 177.57 2crb h LYS 80 N -0.66 0.04 -0.41 2.65 1.57 -1.40 0.35 116.57 118.71 2crb h LYS 80 Ca -0.06 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2crb h LYS 80 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2crb h LYS 80 CO 0.07 0.03 -0.06 0.00 -0.57 0.00 0.00 179.45 178.91 2crb h ARG 81 N 0.04 0.76 -0.34 3.15 3.08 -1.67 -2.75 114.38 116.66 2crb h ARG 81 Ca 0.48 -0.28 0.10 0.00 0.07 0.00 0.00 59.98 60.36 2crb h ARG 81 Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2crb h ARG 81 CO -0.83 0.88 0.28 0.00 -1.07 0.00 0.00 179.97 179.23 2crb h ALA 82 N 0.86 2.20 -0.50 0.04 0.00 -0.31 -1.10 119.26 120.45 2crb h ALA 82 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2crb h ALA 82 Cb 0.57 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2crb h ALA 82 CO 0.03 -0.46 0.32 0.87 0.00 0.00 0.00 179.25 180.02 2crb h LYS 83 N 0.00 0.64 0.06 0.00 1.79 -0.84 0.84 116.57 119.06 2crb h LYS 83 Ca 0.16 -0.04 -0.23 0.00 -2.18 0.00 0.00 60.65 58.36 2crb h LYS 83 Cb 0.72 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2crb h LYS 83 CO -0.00 0.42 -1.06 0.07 -1.08 0.00 0.00 179.45 177.80 2crb h ARG 84 N 0.66 0.22 0.28 3.15 0.11 -1.34 -3.18 114.38 114.28 2crb h ARG 84 Ca 0.19 -0.31 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 2crb h ARG 84 Cb -0.05 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.14 2crb h ARG 84 CO -0.06 1.09 -0.14 0.93 0.10 0.00 0.00 179.97 181.90 2crb h GLU 85 N 0.09 -0.37 -0.80 0.08 4.39 -0.99 -1.58 114.58 115.40 2crb h GLU 85 Ca -0.08 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.80 2crb h GLU 85 Cb 1.76 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 30.34 2crb h GLU 85 CO 0.17 -0.24 -0.27 1.49 -1.16 0.00 0.00 179.01 179.00 2crb h GLU 86 N -0.49 -0.04 -0.53 2.33 4.81 -1.00 0.29 114.58 119.95 2crb h GLU 86 Ca -0.04 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2crb h GLU 86 Cb 0.29 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 2crb h GLU 86 CO 0.06 -0.02 0.23 0.00 -0.73 0.00 0.00 179.01 178.55 2crb h ARG 87 N -0.04 0.44 0.54 1.92 2.47 -1.60 0.23 114.38 118.34 2crb h ARG 87 Ca 0.35 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 2crb h ARG 87 Cb 0.59 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2crb h ARG 87 CO -0.84 0.29 -0.39 -0.07 0.56 0.00 0.00 179.97 179.52 2crb h LEU 88 N 0.45 -1.02 -2.48 3.04 3.38 0.55 -1.76 115.31 117.46 2crb h LEU 88 Ca 0.25 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2crb h LEU 88 Cb 0.22 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2crb h LEU 88 CO -0.21 -0.58 0.06 0.07 0.09 0.00 0.00 178.44 177.87 2crb h LYS 89 N -0.91 0.00 -7.60 1.13 2.10 -0.89 -3.42 116.57 106.98 2crb h LYS 89 Ca -0.06 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.13 2crb h LYS 89 Cb 0.76 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.20 2crb h LYS 89 CO 0.02 0.00 0.38 0.00 -2.00 0.00 0.00 179.45 177.85 2crb s ALA 90 N -4.54 2.67 -0.36 0.07 0.00 0.05 -5.06 121.76 114.60 2crb s ALA 90 Ca -0.05 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2crb s ALA 90 Cb 0.15 -2.85 0.10 0.00 0.00 0.00 0.00 23.12 20.51 2crb s ALA 90 CO 0.51 -1.75 0.10 -1.58 0.00 0.00 0.00 175.76 173.04 2crb s HIS 91 N -3.58 3.63 0.27 0.00 2.46 -1.26 -4.94 115.29 111.86 2crb s HIS 91 Ca 0.64 -2.63 -0.18 0.00 0.47 0.00 0.00 55.06 53.35 2crb s HIS 91 Cb -0.10 -2.93 -0.12 0.00 -0.13 0.00 0.00 32.58 29.30 2crb s HIS 91 CO 0.49 -0.94 0.17 0.43 -2.47 0.00 0.00 174.74 172.41 2crb n SER 92 N 4.43 -1.87 -4.77 9.88 7.64 -1.26 -4.84 113.62 122.83 2crb n SER 92 Ca -0.01 0.70 -0.38 0.00 1.01 0.00 0.00 58.87 60.20 2crb n SER 92 Cb 0.42 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.78 2.82 0.55 0.23 0.00 -1.26 -4.93 107.32 103.95 2crb s GLY 93 Ca 0.47 0.89 0.33 0.00 0.00 0.00 0.00 44.72 46.42 2crb s GLY 93 CO 0.47 1.38 1.99 -0.56 0.00 0.00 0.00 173.10 176.38 2crb h PRO 94 N 2.51 0.00 -6.88 2.90 0.13 -2.02 -3.44 132.00 125.19 2crb h PRO 94 Ca -0.49 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 2crb h PRO 94 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2crb h PRO 94 CO 0.62 0.02 0.40 0.45 -0.23 0.00 0.00 178.00 179.26 2crb s SER 95 N -5.72 7.15 0.13 1.44 0.15 -1.26 -4.95 113.70 110.63 2crb s SER 95 Ca 0.01 2.02 0.26 0.00 0.70 0.00 0.00 55.95 58.93 2crb s SER 95 Cb 0.09 -2.60 0.69 0.00 -1.71 0.00 0.00 66.02 62.50 2crb s SER 95 CO 0.55 -0.21 1.61 -1.54 1.20 0.00 0.00 173.24 174.85 2crb n SER 96 N 0.57 0.62 -0.16 5.45 3.41 -1.26 -5.20 113.62 117.05 2crb n SER 96 Ca 0.02 0.33 0.02 0.00 -0.26 0.00 0.00 58.87 58.98 2crb n SER 96 Cb 0.48 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2crb n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49