#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 3.06 -1.12 1.61 0.15 -1.26 -5.07 113.70 111.08 2crb s SER 2 Ca 0.00 -0.73 -0.20 0.00 0.70 0.00 0.00 55.95 55.72 2crb s SER 2 Cb 0.00 -0.19 0.08 0.00 -1.71 0.00 0.00 66.02 64.20 2crb s SER 2 CO 0.00 0.14 1.50 -0.44 1.20 0.00 0.00 173.24 175.64 2crb s SER 3 N -2.02 6.69 0.00 5.45 0.01 -1.26 -4.83 113.70 117.75 2crb s SER 3 Ca 0.12 -2.01 0.00 0.00 1.31 0.00 0.00 55.95 55.36 2crb s SER 3 Cb -0.10 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2crb s SER 3 CO 0.05 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.05 2crb n GLY 4 N 5.94 2.19 3.91 3.44 0.00 -1.26 -5.14 105.19 114.28 2crb n GLY 4 Ca 0.38 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 2crb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crb s SER 5 N 1.00 4.21 -0.04 1.61 1.04 -1.26 -4.99 113.70 115.27 2crb s SER 5 Ca 0.00 0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.76 2crb s SER 5 Cb 0.00 -1.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.04 2crb s SER 5 CO 0.00 -2.07 1.42 -0.94 0.98 0.00 0.00 173.24 172.62 2crb s SER 6 N -4.65 6.84 0.58 7.02 1.04 -1.26 -5.02 113.70 118.26 2crb s SER 6 Ca 0.65 2.06 0.10 0.00 0.48 0.00 0.00 55.95 59.23 2crb s SER 6 Cb -0.09 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.56 2crb s SER 6 CO 0.50 -0.76 0.79 -0.83 0.98 0.00 0.00 173.24 173.92 2crb s GLY 7 N 2.14 1.73 -1.10 7.32 0.00 -1.26 -4.94 107.32 111.20 2crb s GLY 7 Ca 0.64 -2.15 -0.25 0.00 0.00 0.00 0.00 44.72 42.96 2crb s GLY 7 CO 0.25 -1.69 2.00 1.03 0.00 0.00 0.00 173.10 174.69 2crb n MET 8 N -2.25 0.95 -1.03 2.90 2.00 -1.26 -4.80 117.12 113.63 2crb n MET 8 Ca 0.16 -2.11 -0.32 0.00 0.00 0.00 0.00 57.70 55.43 2crb n MET 8 Cb 0.62 -3.76 -0.03 0.00 0.00 0.00 0.00 33.22 30.05 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 8.17 2.39 0.00 0.03 1.02 -1.26 -3.40 120.64 127.59 2crb n GLU 9 Ca 0.44 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 2crb n GLU 9 Cb 0.46 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 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 3.90 -1.99 0.03 0.62 0.00 -1.26 -4.94 105.19 101.55 2crb n GLY 10 Ca 0.53 0.59 0.08 0.00 0.00 0.00 0.00 46.02 47.23 2crb n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crb n PRO 11 N -1.33 0.05 0.06 1.61 -0.04 -1.25 -2.60 135.00 131.48 2crb n PRO 11 Ca 0.00 0.30 -0.19 0.00 -0.04 0.00 0.00 63.50 63.57 2crb n PRO 11 Cb 0.00 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 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 0.83 0.13 1.53 3.38 -1.92 -3.22 115.31 116.04 2crb h LEU 12 Ca 0.00 -0.68 -0.29 0.00 0.09 0.00 0.00 57.88 57.00 2crb h LEU 12 Cb 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2crb h LEU 12 CO 0.00 1.49 -1.34 -1.13 0.09 0.00 0.00 178.44 177.55 2crb h ASN 13 N 0.34 0.42 -0.82 -0.43 -1.24 -1.78 -3.26 115.58 108.80 2crb h ASN 13 Ca -0.13 -0.49 0.13 0.00 0.71 0.00 0.00 56.30 56.52 2crb h ASN 13 Cb 1.72 -0.14 -0.09 0.00 0.73 0.00 0.00 38.32 40.55 2crb h ASN 13 CO 0.20 1.39 0.43 -0.07 -1.29 0.00 0.00 177.43 178.09 2crb h LEU 14 N 0.07 0.54 -1.08 0.34 3.38 -1.59 0.18 115.31 117.16 2crb h LEU 14 Ca -0.17 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2crb h LEU 14 Cb 1.99 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 2crb h LEU 14 CO 0.19 0.26 -0.23 0.00 0.09 0.00 0.00 178.44 178.75 2crb h ALA 15 N 1.52 1.01 -0.47 1.53 0.00 -1.65 -3.06 119.26 118.13 2crb h ALA 15 Ca 0.43 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2crb h ALA 15 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2crb h ALA 15 CO -0.32 0.29 -0.23 0.45 0.00 0.00 0.00 179.25 179.43 2crb h HIS 16 N 0.00 1.13 -0.16 0.00 3.86 -0.71 -2.11 115.15 117.17 2crb h HIS 16 Ca -0.00 -0.28 0.02 0.00 -1.16 0.00 0.00 60.37 58.95 2crb h HIS 16 Cb 0.77 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 2crb h HIS 16 CO 0.00 1.11 -0.22 1.96 0.86 0.00 0.00 177.93 181.64 2crb h GLN 17 N 0.85 -0.15 -0.50 2.45 4.20 -1.31 -0.37 115.11 120.27 2crb h GLN 17 Ca 0.11 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2crb h GLN 17 Cb 0.81 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2crb h GLN 17 CO 0.07 -0.10 0.23 1.96 -0.67 0.00 0.00 178.83 180.32 2crb h GLN 18 N -0.16 0.72 -0.85 1.46 1.08 -1.71 -2.91 115.11 112.75 2crb h GLN 18 Ca 0.03 -0.11 0.20 0.00 -1.45 0.00 0.00 58.65 57.32 2crb h GLN 18 Cb 0.23 -0.13 -0.15 0.00 -0.05 0.00 0.00 27.48 27.38 2crb h GLN 18 CO -0.23 0.61 -0.02 1.03 -0.95 0.00 0.00 178.83 179.27 2crb h SER 19 N 0.66 -0.46 -0.39 1.46 0.87 -0.77 0.28 113.55 115.21 2crb h SER 19 Ca 0.17 0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.99 2crb h SER 19 Cb 0.13 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2crb h SER 19 CO -0.02 -0.25 0.22 0.03 -0.53 0.00 0.00 176.83 176.28 2crb h ARG 20 N 0.06 0.43 -0.51 2.24 3.08 -0.88 -2.93 114.38 115.88 2crb h ARG 20 Ca 0.48 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.58 2crb h ARG 20 Cb 0.87 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.73 2crb h ARG 20 CO -0.79 0.28 -0.41 -0.09 -1.07 0.00 0.00 179.97 177.90 2crb h ARG 21 N 0.44 -0.24 -1.01 0.04 2.43 -0.44 0.44 114.38 116.03 2crb h ARG 21 Ca 0.16 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.64 2crb h ARG 21 Cb 0.03 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2crb h ARG 21 CO -0.09 -0.16 1.20 0.00 -1.51 0.00 0.00 179.97 179.41 2crb n ALA 22 N -3.11 0.97 0.08 2.80 0.00 -1.04 -0.30 120.51 119.90 2crb n ALA 22 Ca 0.01 0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 2crb n ALA 22 Cb 0.35 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2crb n ALA 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2crb h ASP 23 N 0.00 -0.23 -0.62 0.00 3.58 -0.23 -1.35 116.42 117.58 2crb h ASP 23 Ca 0.48 0.01 0.18 0.00 0.42 0.00 0.00 57.03 58.12 2crb h ASP 23 Cb 2.88 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 43.96 2crb h ASP 23 CO -0.01 0.11 0.56 0.03 -2.88 0.00 0.00 179.24 177.06 2crb h ARG 24 N -0.81 0.00 0.22 0.28 2.47 -0.66 0.10 114.38 115.99 2crb h ARG 24 Ca -0.03 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.39 2crb h ARG 24 Cb 0.20 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.55 2crb h ARG 24 CO 0.04 0.00 -1.37 -0.07 0.56 0.00 0.00 179.97 179.13 2crb h LEU 25 N 0.00 0.71 -1.43 3.04 3.38 -1.38 -3.25 115.31 116.39 2crb h LEU 25 Ca 0.30 -0.93 0.01 0.00 0.09 0.00 0.00 57.88 57.35 2crb h LEU 25 Cb 1.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2crb h LEU 25 CO -0.00 1.65 0.39 0.25 0.09 0.00 0.00 178.44 180.82 2crb h LEU 26 N 0.00 0.67 -1.33 1.67 5.85 0.37 0.63 115.31 123.16 2crb h LEU 26 Ca -0.25 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2crb h LEU 26 Cb 2.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2crb h LEU 26 CO 0.22 0.48 -0.26 0.00 -0.34 0.00 0.00 178.44 178.55 2crb h ALA 27 N 1.63 1.14 -0.49 1.25 0.00 -1.42 -2.31 119.26 119.06 2crb h ALA 27 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2crb h ALA 27 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2crb h ALA 27 CO -0.05 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2crb n ALA 28 N -2.30 2.86 -1.20 0.00 0.00 -0.32 -4.89 120.51 114.66 2crb n ALA 28 Ca -0.01 -1.12 -0.07 0.00 0.00 0.00 0.00 53.44 52.24 2crb n ALA 28 Cb 0.39 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 0.99 0.83 2.13 0.00 0.00 -0.87 -4.87 105.19 103.39 2crb n GLY 29 Ca 0.19 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.64 2.02 -0.16 1.61 4.76 0.06 -4.75 118.16 120.06 2crb n LYS 30 Ca -0.07 -1.64 -0.04 0.00 -2.87 0.00 0.00 58.31 53.68 2crb n LYS 30 Cb 0.38 -1.85 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 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 1.08 -0.17 -0.21 2.13 4.01 -1.26 -0.52 117.16 122.22 2crb n TYR 31 Ca 0.38 0.49 -0.12 0.00 -0.16 0.00 0.00 57.90 58.48 2crb n TYR 31 Cb 0.62 -0.47 -0.08 0.00 -0.31 0.00 0.00 39.34 39.10 2crb n TYR 31 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2crb h GLU 32 N 0.00 -0.27 -1.09 -0.72 4.11 -1.92 0.41 114.58 115.10 2crb h GLU 32 Ca 0.06 0.02 0.36 0.00 0.07 0.00 0.00 59.36 59.87 2crb h GLU 32 Cb 0.16 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.33 2crb h GLU 32 CO -0.37 -0.18 0.65 0.93 0.07 0.00 0.00 179.01 180.11 2crb h GLU 33 N -0.28 0.22 0.03 1.06 4.39 -1.19 0.93 114.58 119.74 2crb h GLU 33 Ca 0.12 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.58 2crb h GLU 33 Cb 0.55 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2crb h GLU 33 CO -0.69 0.14 -0.98 0.00 -1.16 0.00 0.00 179.01 176.32 2crb h ALA 34 N 1.79 0.37 -0.23 3.43 0.00 0.74 -2.96 119.26 122.41 2crb h ALA 34 Ca 0.76 -0.76 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2crb h ALA 34 Cb 1.98 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 2crb h ALA 34 CO -0.55 0.91 -0.05 0.82 0.00 0.00 0.00 179.25 180.38 2crb h ILE 35 N 0.13 0.78 -0.33 0.00 2.04 0.37 -2.59 117.51 117.91 2crb h ILE 35 Ca -0.07 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2crb h ILE 35 Cb 1.64 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2crb h ILE 35 CO 0.16 0.00 -0.08 0.77 0.00 0.00 0.00 178.15 179.00 2crb h SER 36 N 0.00 0.65 -1.04 1.72 4.64 -1.49 -2.40 113.55 115.63 2crb h SER 36 Ca 0.11 -0.37 0.30 0.00 -0.47 0.00 0.00 61.79 61.36 2crb h SER 36 Cb 0.16 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 2crb h SER 36 CO -0.23 0.86 0.81 0.00 -0.87 0.00 0.00 176.83 177.40 2crb h HIS 38 N 0.00 0.49 -0.99 0.00 -0.00 -1.20 -3.30 115.15 110.15 2crb h HIS 38 Ca 0.49 -0.35 0.20 0.00 -0.00 0.00 0.00 60.37 60.71 2crb h HIS 38 Cb 2.11 -0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 29.41 2crb h HIS 38 CO 0.00 1.68 0.62 0.00 -0.00 0.00 0.00 177.93 180.23 2crb h ARG 39 N -0.11 0.64 0.52 2.45 3.08 -0.30 0.38 114.38 121.03 2crb h ARG 39 Ca -0.37 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 2crb h ARG 39 Cb 1.92 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.83 2crb h ARG 39 CO 0.07 0.42 -0.25 0.87 -1.07 0.00 0.00 179.97 180.02 2crb h LYS 40 N 0.65 -0.67 -0.31 0.04 6.56 -1.50 -2.57 116.57 118.77 2crb h LYS 40 Ca 0.55 0.05 0.07 0.00 -1.06 0.00 0.00 60.65 60.26 2crb h LYS 40 Cb 1.01 0.15 -0.08 0.00 -0.57 0.00 0.00 32.23 32.74 2crb h LYS 40 CO -0.32 -0.38 -0.22 0.00 -2.06 0.00 0.00 179.45 176.47 2crb h ALA 41 N -0.89 -0.03 -0.37 3.86 0.00 -1.49 -2.02 119.26 118.32 2crb h ALA 41 Ca -0.07 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2crb h ALA 41 Cb 0.60 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 2crb h ALA 41 CO 0.12 -0.62 -0.22 1.79 0.00 0.00 0.00 179.25 180.31 2crb h THR 42 N -0.19 0.39 -0.45 0.00 1.35 -1.01 -1.49 112.91 111.51 2crb h THR 42 Ca 0.16 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.11 2crb h THR 42 Cb 0.44 0.39 -0.09 0.00 -1.73 0.00 0.00 68.15 67.16 2crb h THR 42 CO -0.42 0.00 -0.14 0.74 -0.25 0.00 0.00 175.52 175.45 2crb h THR 43 N -0.17 0.50 -0.34 6.82 2.02 -0.95 -0.56 112.91 120.23 2crb h THR 43 Ca 0.18 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.42 2crb h THR 43 Cb 0.45 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2crb h THR 43 CO -0.47 0.00 0.03 0.22 0.37 0.00 0.00 175.52 175.67 2crb h TYR 44 N -0.03 0.04 -0.50 3.16 3.20 -0.73 -1.25 116.97 120.86 2crb h TYR 44 Ca 0.22 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.16 2crb h TYR 44 Cb 0.36 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 2crb h TYR 44 CO -0.41 -0.03 0.24 -0.07 -1.64 0.00 0.00 178.16 176.25 2crb h LEU 45 N 0.13 0.32 -1.97 2.82 3.38 -0.32 -0.41 115.31 119.27 2crb h LEU 45 Ca 0.17 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2crb h LEU 45 Cb 0.21 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2crb h LEU 45 CO -0.25 0.22 -0.08 -1.28 0.09 0.00 0.00 178.44 177.14 2crb h SER 46 N 0.46 0.00 1.42 -0.43 0.87 -0.48 -0.54 113.55 114.85 2crb h SER 46 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2crb h SER 46 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2crb h SER 46 CO -0.18 0.08 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.61 2crb h GLU 47 N 0.00 0.00 0.13 2.24 4.39 0.03 -3.24 114.58 118.14 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 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2crb h GLU 47 CO 0.01 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.80 2crb h ALA 48 N 2.31 -0.18 -0.01 3.43 0.00 0.28 -3.27 119.26 121.82 2crb h ALA 48 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2crb h ALA 48 Cb 0.84 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2crb h ALA 48 CO 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 179.25 179.07 2crb h MET 49 N -0.99 0.00 0.00 0.00 -0.00 -1.64 0.14 114.93 112.44 2crb h MET 49 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2crb h MET 49 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 2crb h MET 49 CO 0.03 0.00 0.00 1.63 -0.00 0.00 0.00 176.91 178.57 2crb n LYS 50 N -3.39 0.90 0.04 -0.10 5.02 -1.22 -4.03 118.16 115.38 2crb n LYS 50 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2crb n LYS 50 Cb 0.09 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2crb n LYS 50 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2crb n LEU 51 N -0.92 0.65 -4.50 -0.35 4.77 0.43 -5.06 117.00 112.02 2crb n LEU 51 Ca 0.18 0.13 -0.53 0.00 -0.03 0.00 0.00 56.01 55.77 2crb n LEU 51 Cb 0.08 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2crb n LEU 51 CO 0.14 -0.55 0.47 1.07 -1.33 0.00 0.00 177.39 177.19 2crb n THR 52 N -3.32 0.83 0.01 -5.08 5.66 -0.71 -4.88 114.28 106.77 2crb n THR 52 Ca 0.00 -0.21 -0.15 0.00 -3.05 0.00 0.00 64.05 60.64 2crb n THR 52 Cb 0.13 -0.30 -0.14 0.00 -1.55 0.00 0.00 70.33 68.47 2crb n THR 52 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2crb h GLU 53 N 2.63 0.16 -7.22 1.09 5.08 -1.93 -3.48 114.58 110.92 2crb h GLU 53 Ca -0.42 -0.27 -0.53 0.00 -1.00 0.00 0.00 59.36 57.14 2crb h GLU 53 Cb 1.40 0.10 0.18 0.00 0.50 0.00 0.00 28.75 30.93 2crb h GLU 53 CO 0.65 0.91 0.33 -1.12 -1.00 0.00 0.00 179.01 178.78 2crb s SER 54 N -6.65 3.66 -0.08 1.42 0.01 -1.26 -5.00 113.70 105.80 2crb s SER 54 Ca -0.12 2.31 -0.03 0.00 1.31 0.00 0.00 55.95 59.41 2crb s SER 54 Cb 0.07 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2crb s SER 54 CO 0.81 -2.62 -0.07 -0.08 0.41 0.00 0.00 173.24 171.70 2crb h GLU 55 N -0.94 0.00 -0.86 12.44 4.81 -2.01 -3.32 114.58 124.70 2crb h GLU 55 Ca -0.46 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 58.99 2crb h GLU 55 Cb 1.29 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.51 2crb h GLU 55 CO 0.46 0.00 -0.06 1.04 -0.73 0.00 0.00 179.01 179.72 2crb n GLN 56 N -3.76 -0.07 0.10 1.92 1.13 -1.26 0.25 117.38 115.69 2crb n GLN 56 Ca -0.03 1.31 -0.13 0.00 -1.94 0.00 0.00 57.00 56.21 2crb n GLN 56 Cb 0.10 -2.04 -0.06 0.00 0.11 0.00 0.00 30.24 28.35 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 1.73 -0.62 -1.06 -1.58 0.00 -1.92 -1.02 119.26 114.78 2crb h ALA 57 Ca 0.49 -0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.62 2crb h ALA 57 Cb 0.93 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 2crb h ALA 57 CO -0.84 -0.92 0.68 1.25 0.00 0.00 0.00 179.25 179.43 2crb h HIS 58 N -0.58 0.65 0.75 0.00 -0.00 -0.30 -1.40 115.15 114.27 2crb h HIS 58 Ca 0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 2crb h HIS 58 Cb 0.63 -0.19 0.01 0.00 -0.00 0.00 0.00 27.41 27.86 2crb h HIS 58 CO -0.35 0.04 -0.36 -0.07 -0.00 0.00 0.00 177.93 177.19 2crb h LEU 59 N 0.37 -0.85 -1.51 0.26 3.38 -0.72 0.21 115.31 116.45 2crb h LEU 59 Ca 0.61 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.79 2crb h LEU 59 Cb 1.59 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 2crb h LEU 59 CO -0.31 -0.53 0.82 0.28 0.09 0.00 0.00 178.44 178.79 2crb h SER 60 N -1.15 0.00 0.00 -0.43 0.02 -0.74 0.13 113.55 111.39 2crb h SER 60 Ca -0.10 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.64 2crb h SER 60 Cb 0.79 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 2crb h SER 60 CO 0.17 0.00 -1.17 -0.07 -1.14 0.00 0.00 176.83 174.62 2crb h LEU 61 N 0.00 0.00 -2.22 5.07 3.38 -1.17 -2.75 115.31 117.62 2crb h LEU 61 Ca 0.32 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2crb h LEU 61 Cb 1.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2crb h LEU 61 CO -0.00 1.44 0.21 1.05 0.09 0.00 0.00 178.44 181.23 2crb h GLU 62 N -1.00 0.00 0.01 1.13 4.11 0.16 0.12 114.58 119.11 2crb h GLU 62 Ca -0.32 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.91 2crb h GLU 62 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2crb h GLU 62 CO -0.19 0.00 -1.10 -0.07 0.07 0.00 0.00 179.01 177.72 2crb h LEU 63 N 0.00 0.02 -2.20 3.06 3.38 -1.00 -3.32 115.31 115.25 2crb h LEU 63 Ca 0.09 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 2crb h LEU 63 Cb 0.51 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2crb h LEU 63 CO -0.00 1.43 -0.00 -0.61 0.09 0.00 0.00 178.44 179.35 2crb h GLN 64 N -0.95 0.00 -0.35 1.13 5.75 -1.13 -2.10 115.11 117.47 2crb h GLN 64 Ca -0.30 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 2crb h GLN 64 Cb 1.30 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 2crb h GLN 64 CO -0.16 0.00 -0.06 -0.09 -2.65 0.00 0.00 178.83 175.87 2crb h ARG 65 N 0.00 0.65 -0.94 1.69 2.43 -0.92 -2.84 114.38 114.45 2crb h ARG 65 Ca -0.00 -0.24 0.17 0.00 -0.81 0.00 0.00 59.98 59.10 2crb h ARG 65 Cb 0.00 -0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 29.34 2crb h ARG 65 CO 0.00 0.80 -0.32 0.22 -1.51 0.00 0.00 179.97 179.17 2crb h ASP 66 N 0.45 -1.17 0.20 -3.80 3.58 -1.47 -0.29 116.42 113.92 2crb h ASP 66 Ca 0.09 0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 2crb h ASP 66 Cb 0.55 0.67 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2crb h ASP 66 CO 0.03 -0.30 -0.10 0.77 -2.88 0.00 0.00 179.24 176.76 2crb h SER 67 N -0.01 -0.23 -1.06 2.28 4.64 -1.66 0.14 113.55 117.65 2crb h SER 67 Ca 0.39 -0.23 0.31 0.00 -0.47 0.00 0.00 61.79 61.78 2crb h SER 67 Cb 0.64 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.75 2crb h SER 67 CO -0.96 0.13 1.10 0.45 -0.87 0.00 0.00 176.83 176.68 2crb h HIS 68 N -0.63 0.00 0.03 4.77 3.86 -0.85 0.39 115.15 122.72 2crb h HIS 68 Ca -0.03 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.79 2crb h HIS 68 Cb 0.45 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.87 2crb h HIS 68 CO 0.03 0.00 -2.31 -1.33 0.86 0.00 0.00 177.93 175.18 2crb n MET 69 N -3.45 0.66 -0.34 2.45 2.00 -0.53 -4.05 117.12 113.86 2crb n MET 69 Ca 0.23 0.22 0.19 0.00 0.00 0.00 0.00 57.70 58.35 2crb n MET 69 Cb 1.43 -1.57 0.41 0.00 0.00 0.00 0.00 33.22 33.48 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 -0.22 0.45 -0.37 0.03 2.10 0.18 0.28 116.57 119.03 2crb h LYS 70 Ca -0.55 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 57.92 2crb h LYS 70 Cb 1.84 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 33.06 2crb h LYS 70 CO -0.12 0.30 -0.37 1.96 -2.00 0.00 0.00 179.45 179.22 2crb h GLN 71 N 0.46 0.90 -0.63 0.07 1.08 -1.54 -1.65 115.11 113.80 2crb h GLN 71 Ca 0.67 -0.47 0.08 0.00 -1.45 0.00 0.00 58.65 57.47 2crb h GLN 71 Cb 1.37 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.75 2crb h GLN 71 CO -0.53 1.12 0.29 1.25 -0.95 0.00 0.00 178.83 180.01 2crb h LEU 72 N 0.70 0.36 -0.20 1.46 5.85 -0.61 0.46 115.31 123.33 2crb h LEU 72 Ca 0.06 0.06 -0.21 0.00 0.84 0.00 0.00 57.88 58.62 2crb h LEU 72 Cb 0.96 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.00 2crb h LEU 72 CO 0.09 0.22 -0.71 -0.07 -0.34 0.00 0.00 178.44 177.63 2crb h LEU 73 N 0.52 0.95 -1.75 2.25 3.38 -1.33 -1.42 115.31 117.92 2crb h LEU 73 Ca 0.30 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2crb h LEU 73 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2crb h LEU 73 CO -0.25 1.39 0.07 -0.07 0.09 0.00 0.00 178.44 179.67 2crb h LEU 74 N 0.58 0.20 0.15 1.67 3.38 -0.65 -1.89 115.31 118.76 2crb h LEU 74 Ca -0.03 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 2crb h LEU 74 Cb 1.34 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2crb h LEU 74 CO 0.15 0.19 -1.24 0.40 0.09 0.00 0.00 178.44 178.03 2crb h ILE 75 N 0.24 1.24 -0.92 1.22 2.04 -0.86 -2.98 117.51 117.47 2crb h ILE 75 Ca 0.06 -2.51 0.11 0.00 1.00 0.00 0.00 64.86 63.52 2crb h ILE 75 Cb 0.05 2.95 -0.07 0.00 -0.74 0.00 0.00 36.82 39.01 2crb h ILE 75 CO -0.01 0.74 0.59 1.56 0.00 0.00 0.00 178.15 181.04 2crb h GLN 76 N -0.22 0.88 -0.01 2.37 4.20 -0.96 -0.37 115.11 121.00 2crb h GLN 76 Ca -0.24 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.21 2crb h GLN 76 Cb 1.81 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.39 2crb h GLN 76 CO 0.14 0.58 -0.88 1.05 -0.67 0.00 0.00 178.83 179.05 2crb h GLU 77 N 0.91 0.33 0.00 1.46 4.11 -1.47 -2.57 114.58 117.35 2crb h GLU 77 Ca 0.44 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2crb h GLU 77 Cb 0.45 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2crb h GLU 77 CO -0.20 1.03 0.00 0.54 0.07 0.00 0.00 179.01 180.45 2crb n ARG 78 N -3.73 0.17 -0.06 1.06 5.12 -0.46 -2.91 116.66 115.85 2crb n ARG 78 Ca -0.05 0.33 -0.05 0.00 -1.93 0.00 0.00 57.85 56.15 2crb n ARG 78 Cb 0.80 -1.78 -0.02 0.00 -1.16 0.00 0.00 32.46 30.31 2crb n ARG 78 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 2crb n TRP 79 N -2.09 0.64 -0.38 -1.55 -0.00 -0.27 -3.65 117.44 110.13 2crb n TRP 79 Ca 0.03 0.28 0.38 0.00 -0.00 0.00 0.00 57.50 58.19 2crb n TRP 79 Cb 0.27 -0.64 0.76 0.00 -0.00 0.00 0.00 31.31 31.70 2crb n TRP 79 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2crb h LYS 80 N -0.85 0.01 -0.14 5.87 2.10 -1.55 0.60 116.57 122.61 2crb h LYS 80 Ca 0.00 -0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 2crb h LYS 80 Cb 0.51 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2crb h LYS 80 CO 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 179.45 176.85 2crb h ARG 81 N 0.01 0.66 -0.14 0.07 3.08 -1.71 -3.27 114.38 113.08 2crb h ARG 81 Ca 0.63 -0.52 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 2crb h ARG 81 Cb 2.49 0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.65 2crb h ARG 81 CO -0.01 1.14 -0.71 0.00 -1.07 0.00 0.00 179.97 179.32 2crb h ALA 82 N 0.53 0.49 -0.94 0.04 0.00 -0.04 -1.90 119.26 117.43 2crb h ALA 82 Ca -0.04 -0.58 0.28 0.00 0.00 0.00 0.00 54.91 54.57 2crb h ALA 82 Cb 1.24 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 2crb h ALA 82 CO 0.13 0.72 0.20 0.87 0.00 0.00 0.00 179.25 181.16 2crb h LYS 83 N 0.43 0.09 0.00 0.00 1.79 -0.70 0.27 116.57 118.46 2crb h LYS 83 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2crb h LYS 83 Cb 1.30 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2crb h LYS 83 CO 0.14 0.06 -0.52 -2.13 -1.08 0.00 0.00 179.45 175.92 2crb n ARG 84 N -5.34 0.41 -0.45 3.15 0.63 -1.22 -3.10 116.66 110.74 2crb n ARG 84 Ca 0.25 0.45 0.38 0.00 -0.92 0.00 0.00 57.85 58.00 2crb n ARG 84 Cb 0.81 -1.54 0.63 0.00 0.45 0.00 0.00 32.46 32.81 2crb n ARG 84 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2crb n GLU 85 N -4.32 -0.03 0.08 -0.14 -0.58 -0.72 0.23 120.64 115.16 2crb n GLU 85 Ca -0.07 1.14 -0.18 0.00 -0.42 0.00 0.00 57.16 57.63 2crb n GLU 85 Cb 0.27 -2.27 -0.14 0.00 -0.57 0.00 0.00 31.44 28.73 2crb n GLU 85 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2crb h GLU 86 N 0.00 0.31 -0.58 3.49 4.57 -0.64 -3.22 114.58 118.50 2crb h GLU 86 Ca 0.81 -0.53 -0.04 0.00 -1.18 0.00 0.00 59.36 58.43 2crb h GLU 86 Cb 2.66 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 31.41 2crb h GLU 86 CO -0.41 1.20 0.20 0.00 -1.18 0.00 0.00 179.01 178.83 2crb h ARG 87 N 0.08 0.86 0.64 1.92 2.47 0.30 0.11 114.38 120.76 2crb h ARG 87 Ca -0.23 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.31 2crb h ARG 87 Cb 2.04 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 30.22 2crb h ARG 87 CO 0.19 0.72 -0.31 -0.07 0.56 0.00 0.00 179.97 181.06 2crb h LEU 88 N 0.84 -0.73 -1.46 3.04 3.38 -0.97 -3.16 115.31 116.25 2crb h LEU 88 Ca 0.19 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2crb h LEU 88 Cb 0.21 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2crb h LEU 88 CO -0.01 -0.37 0.36 0.07 0.09 0.00 0.00 178.44 178.58 2crb h LYS 89 N -1.14 0.72 -6.73 1.13 2.10 -1.55 -3.44 116.57 107.66 2crb h LYS 89 Ca -0.09 -0.04 -0.47 0.00 -2.00 0.00 0.00 60.65 58.05 2crb h LYS 89 Cb 0.70 -0.16 0.23 0.00 -0.90 0.00 0.00 32.23 32.10 2crb h LYS 89 CO 0.15 0.48 -0.91 0.00 -2.00 0.00 0.00 179.45 177.17 2crb n ALA 90 N -2.45 -3.77 -3.96 0.07 0.00 0.37 -4.98 120.51 105.80 2crb n ALA 90 Ca 0.05 -1.16 -0.32 0.00 0.00 0.00 0.00 53.44 52.02 2crb n ALA 90 Cb 0.05 -1.61 -0.14 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 0.00 177.50 175.92 2crb s HIS 91 N -2.28 3.63 0.23 0.00 2.46 -1.26 -4.98 115.29 113.09 2crb s HIS 91 Ca 0.57 -2.94 0.06 0.00 0.47 0.00 0.00 55.06 53.22 2crb s HIS 91 Cb -0.15 -2.97 -0.03 0.00 -0.13 0.00 0.00 32.58 29.30 2crb s HIS 91 CO 0.66 -0.91 0.23 -1.12 -2.47 0.00 0.00 174.74 171.12 2crb s SER 92 N 0.83 5.74 0.60 9.88 0.01 -1.26 -5.11 113.70 124.39 2crb s SER 92 Ca 0.12 -0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 2crb s SER 92 Cb -0.21 -1.54 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 2crb s SER 92 CO -0.06 -0.02 1.02 -0.83 0.41 0.00 0.00 173.24 173.76 2crb s GLY 93 N -3.71 1.78 0.12 3.44 0.00 -1.26 -4.99 107.32 102.70 2crb s GLY 93 Ca 0.33 0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.93 2crb s GLY 93 CO 0.26 0.28 1.45 -0.56 0.00 0.00 0.00 173.10 174.54 2crb h PRO 94 N -0.02 0.85 -5.02 2.90 0.13 -2.05 -3.44 132.00 125.35 2crb h PRO 94 Ca -0.45 -0.44 -0.47 0.00 -0.87 0.00 0.00 66.00 63.77 2crb h PRO 94 Cb 1.19 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 2crb h PRO 94 CO 0.61 1.08 -0.80 -1.54 -0.23 0.00 0.00 178.00 177.12 2crb s SER 95 N -6.71 1.51 -0.41 1.44 1.04 -1.26 -5.10 113.70 104.19 2crb s SER 95 Ca -0.12 -0.23 -0.29 0.00 0.48 0.00 0.00 55.95 55.79 2crb s SER 95 Cb 0.10 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.98 2crb s SER 95 CO 0.86 0.13 1.25 -0.44 0.98 0.00 0.00 173.24 176.02 2crb s SER 96 N -0.12 6.57 0.00 7.02 0.01 -1.26 -5.24 113.70 120.68 2crb s SER 96 Ca 0.02 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2crb s SER 96 Cb -0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2crb s SER 96 CO 0.00 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.01