#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 3.30 -3.66 1.61 3.41 -1.26 -4.96 113.62 112.07 2crb n SER 2 Ca 0.00 1.01 -0.06 0.00 -0.26 0.00 0.00 58.87 59.56 2crb n SER 2 Cb 0.00 -1.38 -0.08 0.00 -0.26 0.00 0.00 64.21 62.49 2crb n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2crb s SER 3 N 3.00 -0.70 0.00 4.04 1.04 -1.26 -5.04 113.70 114.77 2crb s SER 3 Ca 0.88 1.25 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2crb s SER 3 Cb -0.69 1.54 0.00 0.00 0.10 0.00 0.00 66.02 66.96 2crb s SER 3 CO 0.47 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2crb n GLY 4 N 5.00 -0.44 0.31 7.32 0.00 -1.26 -4.94 105.19 111.18 2crb n GLY 4 Ca -0.14 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.11 -4.23 1.61 7.64 -1.26 -1.90 113.62 115.37 2crb n SER 5 Ca 0.00 1.53 -0.43 0.00 1.01 0.00 0.00 58.87 60.98 2crb n SER 5 Cb 0.00 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 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 -5.33 5.46 -3.64 6.43 2.88 -1.26 -4.96 113.62 113.20 2crb n SER 6 Ca 0.21 -3.13 -0.05 0.00 -1.33 0.00 0.00 58.87 54.57 2crb n SER 6 Cb 0.69 -1.30 -0.07 0.00 -0.75 0.00 0.00 64.21 62.78 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 0.46 0.05 -0.42 0.46 0.00 -0.80 -4.88 107.32 102.19 2crb s GLY 7 Ca 0.31 3.07 -0.45 0.00 0.00 0.00 0.00 44.72 47.64 2crb s GLY 7 CO -0.05 2.19 1.57 1.03 0.00 0.00 0.00 173.10 177.84 2crb n MET 8 N 2.70 0.17 -3.49 2.90 2.00 -1.26 -4.89 117.12 115.24 2crb n MET 8 Ca -0.15 0.06 -0.27 0.00 0.00 0.00 0.00 57.70 57.35 2crb n MET 8 Cb 0.57 -1.59 -0.09 0.00 0.00 0.00 0.00 33.22 32.11 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 3.96 1.88 0.02 0.03 1.02 -1.26 -4.71 120.64 121.58 2crb n GLU 9 Ca 0.29 -4.27 0.00 0.00 -0.02 0.00 0.00 57.16 53.16 2crb n GLU 9 Cb -0.02 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 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 1.35 -1.76 0.16 0.62 0.00 -1.26 -4.95 105.19 99.34 2crb n GLY 10 Ca 0.26 0.62 0.13 0.00 0.00 0.00 0.00 46.02 47.03 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 0.05 1.61 0.13 -2.00 -2.65 132.00 129.13 2crb h PRO 11 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2crb h PRO 11 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2crb h PRO 11 CO 0.00 0.00 -0.52 -0.07 -0.23 0.00 0.00 178.00 177.18 2crb h LEU 12 N 0.00 0.37 0.23 1.56 3.38 -1.93 -3.28 115.31 115.64 2crb h LEU 12 Ca 0.00 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 2crb h LEU 12 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2crb h LEU 12 CO 0.00 1.19 -0.11 -1.13 0.09 0.00 0.00 178.44 178.48 2crb h ASN 13 N -0.39 -0.26 -1.01 -0.43 -0.73 -1.91 -3.15 115.58 107.71 2crb h ASN 13 Ca -0.08 -0.27 0.41 0.00 1.87 0.00 0.00 56.30 58.23 2crb h ASN 13 Cb 1.31 0.07 -0.16 0.00 0.27 0.00 0.00 38.32 39.80 2crb h ASN 13 CO 0.10 0.21 0.57 0.18 -0.37 0.00 0.00 177.43 178.12 2crb n LEU 14 N -5.01 0.31 -0.15 0.34 4.77 -1.01 0.21 117.00 116.45 2crb n LEU 14 Ca -0.08 1.52 -0.12 0.00 -0.03 0.00 0.00 56.01 57.30 2crb n LEU 14 Cb 0.26 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2crb n LEU 14 CO 0.27 -1.69 0.66 0.00 -1.33 0.00 0.00 177.39 175.30 2crb h ALA 15 N 1.82 0.65 -0.36 -1.18 0.00 -1.61 -3.16 119.26 115.42 2crb h ALA 15 Ca 0.81 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2crb h ALA 15 Cb 2.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 2crb h ALA 15 CO -0.67 0.64 0.23 0.45 0.00 0.00 0.00 179.25 179.89 2crb h HIS 16 N 0.81 0.46 -1.37 0.00 3.86 0.26 -2.22 115.15 116.95 2crb h HIS 16 Ca 0.10 0.00 0.45 0.00 -1.16 0.00 0.00 60.37 59.76 2crb h HIS 16 Cb 0.79 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 29.00 2crb h HIS 16 CO 0.05 0.32 0.91 1.04 0.86 0.00 0.00 177.93 181.11 2crb n GLN 17 N -4.82 -0.02 -0.08 2.45 6.02 -0.67 0.26 117.38 120.52 2crb n GLN 17 Ca -0.00 1.07 -0.22 0.00 -0.01 0.00 0.00 57.00 57.83 2crb n GLN 17 Cb 0.04 -2.20 -0.12 0.00 1.02 0.00 0.00 30.24 28.98 2crb n GLN 17 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2crb n GLN 18 N -4.27 0.63 -0.32 -1.09 1.13 -0.94 -4.29 117.38 108.23 2crb n GLN 18 Ca 0.37 0.44 0.04 0.00 -1.94 0.00 0.00 57.00 55.91 2crb n GLN 18 Cb 1.50 -1.70 0.11 0.00 0.11 0.00 0.00 30.24 30.26 2crb n GLN 18 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2crb n SER 19 N -4.09 -0.36 -0.30 1.08 3.41 0.14 0.17 113.62 113.68 2crb n SER 19 Ca -0.35 1.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.84 2crb n SER 19 Cb 0.82 -0.45 0.20 0.00 -0.26 0.00 0.00 64.21 64.53 2crb n SER 19 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2crb h ARG 20 N 0.00 0.70 -0.47 4.33 0.11 -1.60 -1.54 114.38 115.91 2crb h ARG 20 Ca 0.41 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.52 2crb h ARG 20 Cb 0.63 -0.16 -0.06 0.00 1.11 0.00 0.00 29.97 31.49 2crb h ARG 20 CO -0.91 0.46 0.13 -0.09 0.10 0.00 0.00 179.97 179.67 2crb h ARG 21 N 0.72 0.28 -1.02 0.08 2.43 0.16 -1.29 114.38 115.74 2crb h ARG 21 Ca 0.44 -0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.87 2crb h ARG 21 Cb 0.52 -0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.88 2crb h ARG 21 CO -0.30 0.18 0.61 0.00 -1.51 0.00 0.00 179.97 178.94 2crb h ALA 22 N 1.34 1.93 0.40 2.80 0.00 -0.94 -1.80 119.26 122.98 2crb h ALA 22 Ca 0.23 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2crb h ALA 22 Cb 0.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2crb h ALA 22 CO -0.27 -0.45 -0.19 0.22 0.00 0.00 0.00 179.25 178.56 2crb h ASP 23 N 0.46 -0.45 -0.49 0.00 1.82 -1.23 -0.91 116.42 115.61 2crb h ASP 23 Ca 0.68 0.02 0.14 0.00 -0.39 0.00 0.00 57.03 57.47 2crb h ASP 23 Cb 1.45 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.56 2crb h ASP 23 CO -0.49 -0.25 0.90 0.03 -1.61 0.00 0.00 179.24 177.82 2crb h ARG 24 N -0.69 0.00 0.16 0.28 2.47 -1.20 1.06 114.38 116.46 2crb h ARG 24 Ca -0.05 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.31 2crb h ARG 24 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2crb h ARG 24 CO 0.09 0.00 -1.81 -0.07 0.56 0.00 0.00 179.97 178.74 2crb h LEU 25 N 0.00 0.54 -1.28 3.04 3.38 -1.14 -3.33 115.31 116.53 2crb h LEU 25 Ca 0.23 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 57.36 2crb h LEU 25 Cb 2.04 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.56 2crb h LEU 25 CO -0.00 1.78 0.52 0.25 0.09 0.00 0.00 178.44 181.08 2crb h LEU 26 N 0.09 0.78 -1.26 1.67 5.85 0.26 0.74 115.31 123.44 2crb h LEU 26 Ca -0.36 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 2crb h LEU 26 Cb 2.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 2crb h LEU 26 CO 0.15 0.51 -0.22 0.00 -0.34 0.00 0.00 178.44 178.54 2crb h ALA 27 N 1.56 1.39 -0.12 1.25 0.00 -1.55 -1.83 119.26 119.96 2crb h ALA 27 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2crb h ALA 27 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2crb h ALA 27 CO -0.11 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2crb n ALA 28 N -2.48 2.54 -1.02 0.00 0.00 -0.33 -4.89 120.51 114.33 2crb n ALA 28 Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 53.44 52.96 2crb n ALA 28 Cb 0.33 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.10 0.44 1.74 0.00 0.00 -0.69 -4.90 105.19 102.89 2crb n GLY 29 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2crb n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2crb n LYS 30 N -2.32 1.45 -0.36 1.61 4.76 0.11 -4.67 118.16 118.74 2crb n LYS 30 Ca -0.01 -0.66 -0.09 0.00 -2.87 0.00 0.00 58.31 54.69 2crb n LYS 30 Cb 0.10 -1.40 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 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 1.46 -0.37 -0.30 2.13 4.01 -1.26 0.27 117.16 123.10 2crb n TYR 31 Ca 0.18 1.06 0.00 0.00 -0.16 0.00 0.00 57.90 58.98 2crb n TYR 31 Cb 0.61 -0.57 0.07 0.00 -0.31 0.00 0.00 39.34 39.14 2crb n TYR 31 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2crb h GLU 32 N 0.00 -0.04 -0.97 -0.72 4.22 -1.92 0.75 114.58 115.90 2crb h GLU 32 Ca 0.14 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.71 2crb h GLU 32 Cb 0.35 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 2crb h GLU 32 CO -0.80 -0.03 0.61 0.93 -2.18 0.00 0.00 179.01 177.55 2crb h GLU 33 N -0.04 0.88 -0.07 1.92 4.39 -0.56 -0.44 114.58 120.66 2crb h GLU 33 Ca 0.35 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.83 2crb h GLU 33 Cb 0.60 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2crb h GLU 33 CO -0.86 0.58 -0.68 0.00 -1.16 0.00 0.00 179.01 176.89 2crb h ALA 34 N 1.56 0.71 0.50 3.43 0.00 0.11 -2.84 119.26 122.74 2crb h ALA 34 Ca 0.48 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2crb h ALA 34 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2crb h ALA 34 CO -0.25 0.77 -0.35 0.82 0.00 0.00 0.00 179.25 180.24 2crb h ILE 35 N 0.21 0.00 -0.24 0.00 2.04 0.12 -2.63 117.51 117.01 2crb h ILE 35 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2crb h ILE 35 Cb 1.23 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2crb h ILE 35 CO 0.11 0.00 -0.04 0.77 0.00 0.00 0.00 178.15 178.99 2crb h SER 36 N -0.81 -0.17 -0.99 1.72 4.64 -1.57 -2.34 113.55 114.03 2crb h SER 36 Ca -0.07 0.06 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 2crb h SER 36 Cb 0.66 0.13 -0.19 0.00 -0.31 0.00 0.00 62.40 62.69 2crb h SER 36 CO 0.04 -0.05 -0.18 0.00 -0.87 0.00 0.00 176.83 175.77 2crb h HIS 38 N 0.00 0.65 -0.06 0.00 -0.00 -1.05 -3.02 115.15 111.68 2crb h HIS 38 Ca 0.50 -0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.87 2crb h HIS 38 Cb 0.84 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 27.99 2crb h HIS 38 CO -0.70 0.55 -0.37 0.00 -0.00 0.00 0.00 177.93 177.41 2crb h ARG 39 N 0.56 -0.48 -0.98 2.45 3.08 0.43 0.32 114.38 119.76 2crb h ARG 39 Ca 0.15 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.47 2crb h ARG 39 Cb 0.17 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.20 2crb h ARG 39 CO -0.01 -0.32 0.56 0.87 -1.07 0.00 0.00 179.97 179.99 2crb h LYS 40 N -0.49 0.53 0.44 0.04 1.57 -1.21 0.11 116.57 117.55 2crb h LYS 40 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2crb h LYS 40 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2crb h LYS 40 CO -0.33 0.35 -0.21 0.00 -0.57 0.00 0.00 179.45 178.68 2crb h ALA 41 N 1.73 -0.59 -0.59 3.86 0.00 -1.05 -3.04 119.26 119.58 2crb h ALA 41 Ca 0.63 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.48 2crb h ALA 41 Cb 1.20 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 2crb h ALA 41 CO -0.49 -0.65 -0.02 1.79 0.00 0.00 0.00 179.25 179.88 2crb h THR 42 N -0.96 0.50 -0.42 0.00 1.35 -0.09 -0.70 112.91 112.60 2crb h THR 42 Ca -0.06 -0.03 0.09 0.00 -0.55 0.00 0.00 66.41 65.85 2crb h THR 42 Cb 0.57 0.39 -0.09 0.00 -1.73 0.00 0.00 68.15 67.29 2crb h THR 42 CO 0.10 0.02 -0.25 0.74 -0.25 0.00 0.00 175.52 175.88 2crb h THR 43 N 0.10 0.33 -0.44 6.82 2.02 -1.05 0.64 112.91 121.34 2crb h THR 43 Ca 0.31 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 2crb h THR 43 Cb 0.49 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2crb h THR 43 CO -0.52 0.00 0.25 0.22 0.37 0.00 0.00 175.52 175.84 2crb h TYR 44 N -0.17 0.60 -0.93 3.16 3.20 -1.16 -2.26 116.97 119.41 2crb h TYR 44 Ca 0.20 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.15 2crb h TYR 44 Cb 0.48 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 2crb h TYR 44 CO -0.48 0.45 0.60 -0.07 -1.64 0.00 0.00 178.16 177.02 2crb h LEU 45 N 0.58 0.86 -0.57 2.82 3.38 -0.04 -1.20 115.31 121.15 2crb h LEU 45 Ca 0.16 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2crb h LEU 45 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2crb h LEU 45 CO -0.03 0.50 -0.10 -1.28 0.09 0.00 0.00 178.44 177.63 2crb h SER 46 N 0.95 1.04 0.63 -0.43 0.87 -0.46 -2.52 113.55 113.62 2crb h SER 46 Ca 0.44 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2crb h SER 46 Cb 0.40 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2crb h SER 46 CO -0.20 1.14 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.87 2crb h GLU 47 N 0.92 0.00 0.16 2.24 4.39 -0.69 -2.52 114.58 119.08 2crb h GLU 47 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2crb h GLU 47 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2crb h GLU 47 CO 0.05 0.05 -0.07 0.00 -1.16 0.00 0.00 179.01 177.87 2crb h ALA 48 N 1.95 -0.49 -0.39 3.43 0.00 -0.90 -3.19 119.26 119.67 2crb h ALA 48 Ca -0.00 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2crb h ALA 48 Cb 0.37 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2crb h ALA 48 CO 0.01 -0.48 0.35 0.00 0.00 0.00 0.00 179.25 179.13 2crb h MET 49 N -0.41 0.00 0.00 0.00 -0.00 -1.57 0.31 114.93 113.27 2crb h MET 49 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.67 2crb h MET 49 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.76 2crb h MET 49 CO 0.03 0.00 -0.06 0.87 -0.00 0.00 0.00 176.91 177.75 2crb h LYS 50 N 0.00 0.00 0.00 -0.10 1.57 -1.49 -3.28 116.57 113.27 2crb h LYS 50 Ca 0.18 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2crb h LYS 50 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 2crb h LYS 50 CO -0.00 0.06 -1.44 1.28 -0.57 0.00 0.00 179.45 178.78 2crb n LEU 51 N -3.40 1.95 -4.54 2.94 4.77 0.10 -4.97 117.00 113.85 2crb n LEU 51 Ca -0.02 0.33 -0.55 0.00 -0.03 0.00 0.00 56.01 55.75 2crb n LEU 51 Cb 0.21 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.47 2crb n LEU 51 CO 0.27 -0.03 0.69 1.07 -1.33 0.00 0.00 177.39 178.06 2crb n THR 52 N -4.40 0.15 -0.03 -5.08 5.66 -0.62 -4.87 114.28 105.09 2crb n THR 52 Ca -0.26 -0.04 -0.06 0.00 -3.05 0.00 0.00 64.05 60.65 2crb n THR 52 Cb 0.62 -0.40 -0.13 0.00 -1.55 0.00 0.00 70.33 68.87 2crb n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2crb n GLU 53 N 1.91 0.65 -2.25 1.09 0.28 -1.26 -4.89 120.64 116.17 2crb n GLU 53 Ca 0.19 0.16 -0.42 0.00 -0.16 0.00 0.00 57.16 56.93 2crb n GLU 53 Cb 0.14 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 31.28 2crb n GLU 53 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2crb s SER 54 N -5.74 6.92 0.03 -1.84 0.01 -1.26 -4.96 113.70 106.86 2crb s SER 54 Ca -0.06 2.29 -0.28 0.00 1.31 0.00 0.00 55.95 59.21 2crb s SER 54 Cb 0.08 -2.59 -0.16 0.00 0.21 0.00 0.00 66.02 63.55 2crb s SER 54 CO 0.83 -0.55 1.27 -0.08 0.41 0.00 0.00 173.24 175.12 2crb h GLU 55 N 6.18 -0.79 -1.47 12.44 4.57 -2.00 -2.71 114.58 130.81 2crb h GLU 55 Ca -0.43 0.05 0.48 0.00 -1.18 0.00 0.00 59.36 58.28 2crb h GLU 55 Cb 1.21 0.18 -0.12 0.00 -0.16 0.00 0.00 28.75 29.86 2crb h GLU 55 CO 0.81 -0.47 0.98 1.04 -1.18 0.00 0.00 179.01 180.19 2crb n GLN 56 N -5.36 -0.02 -0.04 1.92 1.13 -1.26 0.92 117.38 114.67 2crb n GLN 56 Ca -0.12 1.15 -0.13 0.00 -1.94 0.00 0.00 57.00 55.95 2crb n GLN 56 Cb 0.35 -2.35 -0.11 0.00 0.11 0.00 0.00 30.24 28.23 2crb n GLN 56 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2crb h ALA 57 N 1.36 -0.00 -0.81 -1.58 0.00 -1.88 -2.93 119.26 113.42 2crb h ALA 57 Ca 0.85 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 55.57 2crb h ALA 57 Cb 2.94 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 20.68 2crb h ALA 57 CO -0.33 -0.14 0.54 1.25 0.00 0.00 0.00 179.25 180.58 2crb h HIS 58 N -0.73 0.51 0.16 0.00 -0.00 0.86 -1.84 115.15 114.10 2crb h HIS 58 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2crb h HIS 58 Cb 0.72 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 2crb h HIS 58 CO 0.18 0.17 -0.08 -0.07 -0.00 0.00 0.00 177.93 178.13 2crb h LEU 59 N 0.41 -0.18 -1.96 0.26 4.07 -1.26 0.11 115.31 116.77 2crb h LEU 59 Ca 0.41 -0.30 0.10 0.00 0.08 0.00 0.00 57.88 58.16 2crb h LEU 59 Cb 0.97 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2crb h LEU 59 CO -0.14 0.24 0.43 -1.28 -1.08 0.00 0.00 178.44 176.61 2crb h SER 60 N -0.63 0.00 0.00 -0.43 0.87 -1.15 -1.53 113.55 110.68 2crb h SER 60 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2crb h SER 60 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2crb h SER 60 CO 0.04 0.00 -0.46 -0.07 -0.53 0.00 0.00 176.83 175.80 2crb h LEU 61 N 0.00 0.00 -1.64 2.23 3.38 -1.25 -3.29 115.31 114.74 2crb h LEU 61 Ca 0.16 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.58 2crb h LEU 61 Cb 1.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 2crb h LEU 61 CO -0.00 0.72 1.00 1.05 0.09 0.00 0.00 178.44 181.30 2crb h GLU 62 N -0.97 0.06 0.21 1.13 4.11 -0.44 0.35 114.58 119.04 2crb h GLU 62 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2crb h GLU 62 Cb 0.46 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2crb h GLU 62 CO 0.00 0.04 -0.10 -0.07 0.07 0.00 0.00 179.01 178.95 2crb h LEU 63 N 0.06 -0.24 -1.15 3.06 3.38 -1.46 -2.90 115.31 116.08 2crb h LEU 63 Ca 0.81 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 2crb h LEU 63 Cb 2.82 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 43.60 2crb h LEU 63 CO -0.25 0.20 0.42 -0.61 0.09 0.00 0.00 178.44 178.29 2crb h GLN 64 N -0.74 1.01 -0.42 1.13 5.75 -0.52 -1.92 115.11 119.40 2crb h GLN 64 Ca -0.03 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.41 2crb h GLN 64 Cb 0.50 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2crb h GLN 64 CO 0.05 0.73 0.28 -0.09 -2.65 0.00 0.00 178.83 177.14 2crb h ARG 65 N 1.02 0.41 0.00 1.69 2.43 -0.76 -2.57 114.38 116.61 2crb h ARG 65 Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2crb h ARG 65 Cb -0.01 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2crb h ARG 65 CO -0.05 0.27 0.00 -3.47 -1.51 0.00 0.00 179.97 175.22 2crb n ASP 66 N -4.48 0.00 0.02 -3.80 -0.08 -0.72 -1.96 116.55 105.53 2crb n ASP 66 Ca 0.05 0.99 0.22 0.00 -1.51 0.00 0.00 54.79 54.53 2crb n ASP 66 Cb 0.17 -0.49 0.68 0.00 2.34 0.00 0.00 41.12 43.83 2crb n ASP 66 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2crb h SER 67 N 0.00 0.00 0.25 1.67 4.64 -1.60 0.76 113.55 119.27 2crb h SER 67 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2crb h SER 67 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2crb h SER 67 CO 0.00 0.00 -0.42 0.45 -0.87 0.00 0.00 176.83 175.99 2crb h HIS 68 N 0.00 0.27 0.00 4.77 3.86 -1.01 -3.05 115.15 119.98 2crb h HIS 68 Ca 0.26 -0.07 -0.31 0.00 -1.16 0.00 0.00 60.37 59.09 2crb h HIS 68 Cb 1.50 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 29.85 2crb h HIS 68 CO 0.00 0.62 -2.14 -1.33 0.86 0.00 0.00 177.93 175.94 2crb n MET 69 N -4.02 0.67 0.04 2.45 2.81 0.23 -4.10 117.12 115.20 2crb n MET 69 Ca -0.02 0.06 0.10 0.00 -1.81 0.00 0.00 57.70 56.04 2crb n MET 69 Cb 0.48 -1.60 0.55 0.00 -0.71 0.00 0.00 33.22 31.94 2crb n MET 69 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2crb h LYS 70 N 0.00 0.26 0.01 0.03 2.10 -0.44 -0.74 116.57 117.79 2crb h LYS 70 Ca -0.42 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.01 2crb h LYS 70 Cb 2.06 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 33.31 2crb h LYS 70 CO 0.04 0.17 -0.96 1.96 -2.00 0.00 0.00 179.45 178.67 2crb h GLN 71 N 0.27 0.03 0.17 0.07 1.08 -1.71 -3.19 115.11 111.84 2crb h GLN 71 Ca 0.17 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2crb h GLN 71 Cb 0.32 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2crb h GLN 71 CO -0.03 0.96 -0.08 1.25 -0.95 0.00 0.00 178.83 179.97 2crb h LEU 72 N 0.01 -0.20 -2.00 1.46 5.85 -1.30 0.55 115.31 119.68 2crb h LEU 72 Ca -0.02 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.57 2crb h LEU 72 Cb 1.67 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 2crb h LEU 72 CO 0.13 0.08 0.13 -0.07 -0.34 0.00 0.00 178.44 178.36 2crb h LEU 73 N -0.48 0.00 0.12 2.25 3.38 -1.52 -1.33 115.31 117.73 2crb h LEU 73 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2crb h LEU 73 Cb 0.37 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2crb h LEU 73 CO 0.04 0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 178.45 2crb h LEU 74 N 0.00 -0.13 -1.65 1.67 3.38 -1.48 -3.17 115.31 113.93 2crb h LEU 74 Ca 0.09 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.39 2crb h LEU 74 Cb 0.34 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2crb h LEU 74 CO -0.00 0.22 0.80 0.40 0.09 0.00 0.00 178.44 179.95 2crb h ILE 75 N -0.79 0.40 0.62 1.22 2.04 -0.78 -0.30 117.51 119.92 2crb h ILE 75 Ca -0.02 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2crb h ILE 75 Cb 0.12 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2crb h ILE 75 CO 0.03 0.03 -0.30 1.56 0.00 0.00 0.00 178.15 179.47 2crb h GLN 76 N 0.18 -0.80 -0.80 2.37 4.20 -1.33 -0.30 115.11 118.63 2crb h GLN 76 Ca 0.63 0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.48 2crb h GLN 76 Cb 2.04 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 29.95 2crb h GLN 76 CO -0.19 -0.53 0.52 1.05 -0.67 0.00 0.00 178.83 179.01 2crb h GLU 77 N -0.87 0.75 -0.73 1.46 4.11 -1.27 -1.26 114.58 116.77 2crb h GLU 77 Ca -0.08 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 2crb h GLU 77 Cb 0.64 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2crb h GLU 77 CO 0.14 0.49 0.31 0.00 0.07 0.00 0.00 179.01 180.02 2crb h ARG 78 N 0.77 1.07 0.08 1.06 2.47 -0.99 -2.88 114.38 115.96 2crb h ARG 78 Ca 0.36 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2crb h ARG 78 Cb 0.40 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2crb h ARG 78 CO -0.14 0.87 -0.04 2.35 0.56 0.00 0.00 179.97 183.57 2crb h TRP 79 N 1.03 -0.09 -0.71 3.04 7.01 0.11 -2.85 115.95 123.50 2crb h TRP 79 Ca 0.24 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.39 2crb h TRP 79 Cb 0.18 0.03 -0.13 0.00 -2.10 0.00 0.00 29.16 27.14 2crb h TRP 79 CO 0.01 0.12 -0.15 0.87 -2.79 0.00 0.00 178.44 176.51 2crb h LYS 80 N -0.30 0.01 -0.33 2.65 1.57 -1.30 0.66 116.57 119.54 2crb h LYS 80 Ca -0.01 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2crb h LYS 80 Cb 0.26 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2crb h LYS 80 CO 0.02 0.01 0.07 0.00 -0.57 0.00 0.00 179.45 178.97 2crb h ARG 81 N 0.02 0.18 -0.18 3.15 3.08 -1.43 -2.62 114.38 116.57 2crb h ARG 81 Ca 0.35 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.43 2crb h ARG 81 Cb 0.55 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 2crb h ARG 81 CO -0.71 0.12 -0.09 0.00 -1.07 0.00 0.00 179.97 178.22 2crb h ALA 82 N 1.24 0.07 -1.15 0.04 0.00 -0.69 -1.69 119.26 117.08 2crb h ALA 82 Ca 0.15 0.07 0.38 0.00 0.00 0.00 0.00 54.91 55.52 2crb h ALA 82 Cb 0.17 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2crb h ALA 82 CO -0.20 -0.52 0.76 1.63 0.00 0.00 0.00 179.25 180.93 2crb n LYS 83 N -5.24 -0.02 -0.05 0.00 4.76 -0.41 -0.59 118.16 116.62 2crb n LYS 83 Ca -0.02 0.93 -0.03 0.00 -2.87 0.00 0.00 58.31 56.32 2crb n LYS 83 Cb 0.16 -1.90 -0.01 0.00 -1.84 0.00 0.00 35.03 31.44 2crb n LYS 83 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2crb h ARG 84 N 0.00 0.00 -1.83 1.97 2.43 -1.40 -2.73 114.38 112.82 2crb h ARG 84 Ca 0.68 0.00 0.53 0.00 -0.81 0.00 0.00 59.98 60.39 2crb h ARG 84 Cb 2.33 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.80 2crb h ARG 84 CO -0.29 0.00 1.32 0.39 -1.51 0.00 0.00 179.97 179.88 2crb n GLU 85 N -4.03 -0.00 -0.08 0.20 1.02 -0.19 0.65 120.64 118.22 2crb n GLU 85 Ca -0.05 1.01 -0.22 0.00 -0.02 0.00 0.00 57.16 57.88 2crb n GLU 85 Cb 0.19 -2.33 -0.12 0.00 -0.02 0.00 0.00 31.44 29.16 2crb n GLU 85 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crb n GLU 86 N -3.81 0.62 0.25 3.49 2.13 0.24 -3.47 120.64 120.09 2crb n GLU 86 Ca 0.42 0.49 0.09 0.00 0.66 0.00 0.00 57.16 58.82 2crb n GLU 86 Cb 1.87 -1.73 0.50 0.00 0.27 0.00 0.00 31.44 32.36 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 -0.72 0.00 0.00 5.31 2.47 0.55 0.23 114.38 122.22 2crb h ARG 87 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 2crb h ARG 87 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2crb h ARG 87 CO -0.14 0.00 -0.26 1.28 0.56 0.00 0.00 179.97 181.41 2crb n LEU 88 N -2.42 0.87 -0.19 3.04 4.32 -0.53 -4.50 117.00 117.59 2crb n LEU 88 Ca -0.01 0.41 -0.01 0.00 -0.02 0.00 0.00 56.01 56.39 2crb n LEU 88 Cb 0.42 -0.67 0.10 0.00 -1.62 0.00 0.00 43.42 41.64 2crb n LEU 88 CO 0.08 -0.48 0.97 0.07 -1.22 0.00 0.00 177.39 176.82 2crb h LYS 89 N -0.48 0.37 -5.59 3.23 2.10 -1.48 -3.37 116.57 111.36 2crb h LYS 89 Ca 0.00 -0.02 -0.28 0.00 -2.00 0.00 0.00 60.65 58.34 2crb h LYS 89 Cb 0.26 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2crb h LYS 89 CO 0.00 0.24 0.91 0.00 -2.00 0.00 0.00 179.45 178.60 2crb s ALA 90 N -6.10 1.37 -0.55 0.07 0.00 0.77 -4.90 121.76 112.42 2crb s ALA 90 Ca -0.13 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 2crb s ALA 90 Cb 0.17 -4.45 0.04 0.00 0.00 0.00 0.00 23.12 18.87 2crb s ALA 90 CO 0.74 -4.95 1.03 -1.58 0.00 0.00 0.00 175.76 170.99 2crb s HIS 91 N 12.42 2.75 -0.24 0.00 2.46 -1.26 -4.84 115.29 126.58 2crb s HIS 91 Ca 0.88 0.19 -0.19 0.00 0.47 0.00 0.00 55.06 56.42 2crb s HIS 91 Cb -0.14 -4.22 0.07 0.00 -0.13 0.00 0.00 32.58 28.17 2crb s HIS 91 CO 0.15 -1.40 0.62 0.45 -2.47 0.00 0.00 174.74 172.10 2crb s SER 92 N 2.80 -0.73 0.00 9.88 0.15 -1.26 -5.14 113.70 119.39 2crb s SER 92 Ca 0.36 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.31 2crb s SER 92 Cb -0.10 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 2crb s SER 92 CO 0.22 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2crb n GLY 93 N 3.39 2.61 0.00 9.45 0.00 -1.26 -4.80 105.19 114.58 2crb n GLY 93 Ca -0.17 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.25 2crb n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crb n PRO 94 N 1.09 0.05 -3.17 1.61 -0.04 -1.26 -4.66 135.00 128.63 2crb n PRO 94 Ca 0.00 0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 63.29 2crb n PRO 94 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2crb n PRO 94 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2crb s SER 95 N -2.89 6.63 -0.01 3.54 0.01 -1.26 -4.96 113.70 114.75 2crb s SER 95 Ca 0.09 0.76 -0.20 0.00 1.31 0.00 0.00 55.95 57.90 2crb s SER 95 Cb 0.09 -2.33 -0.26 0.00 0.21 0.00 0.00 66.02 63.73 2crb s SER 95 CO 0.25 -0.24 1.03 0.28 0.41 0.00 0.00 173.24 174.97 2crb h SER 96 N 7.50 0.52 0.00 2.44 0.02 -1.97 -3.48 113.55 118.58 2crb h SER 96 Ca -0.32 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 59.80 2crb h SER 96 Cb 1.15 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2crb h SER 96 CO 0.76 1.29 0.00 0.61 -1.14 0.00 0.00 176.83 178.35