#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 5.61 -1.48 1.61 0.01 -1.26 -4.56 113.70 113.63 2crb s SER 2 Ca 0.00 -1.07 -0.10 0.00 1.31 0.00 0.00 55.95 56.09 2crb s SER 2 Cb 0.00 -1.98 0.06 0.00 0.21 0.00 0.00 66.02 64.32 2crb s SER 2 CO 0.00 -0.38 0.91 -1.20 0.41 0.00 0.00 173.24 172.98 2crb n SER 3 N 4.94 -3.84 0.00 2.44 7.64 -1.26 -4.92 113.62 118.62 2crb n SER 3 Ca -0.12 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 58.97 2crb n SER 3 Cb 0.45 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 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 -1.68 2.64 2.34 0.23 0.00 -1.26 -5.02 105.19 102.44 2crb n GLY 4 Ca -0.05 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 7.30 -3.39 1.61 7.64 -1.26 -1.11 113.62 124.41 2crb n SER 5 Ca 0.00 -3.79 -0.11 0.00 1.01 0.00 0.00 58.87 55.98 2crb n SER 5 Cb 0.00 -0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 62.28 2crb n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crb s SER 6 N -2.03 0.32 0.00 6.43 1.04 -1.26 -4.91 113.70 113.30 2crb s SER 6 Ca 0.62 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2crb s SER 6 Cb 0.49 0.70 0.00 0.00 0.10 0.00 0.00 66.02 67.31 2crb s SER 6 CO -0.04 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.42 2crb n GLY 7 N -0.50 4.72 2.42 7.32 0.00 -1.26 -4.78 105.19 113.11 2crb n GLY 7 Ca -0.03 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 2crb n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2crb n MET 8 N -1.89 3.51 -2.26 1.61 0.00 -1.26 -4.89 117.12 111.94 2crb n MET 8 Ca 0.00 -2.72 -0.33 0.00 0.00 0.00 0.00 57.70 54.64 2crb n MET 8 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 33.22 30.76 2crb n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2crb s GLU 9 N -0.83 3.03 0.00 2.12 2.02 -1.26 -4.01 118.70 119.77 2crb s GLU 9 Ca 0.59 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.46 2crb s GLU 9 Cb 0.27 -5.28 0.00 0.00 0.10 0.00 0.00 34.13 29.22 2crb s GLU 9 CO -0.13 -3.14 0.00 0.41 0.02 0.00 0.00 175.26 172.42 2crb n GLY 10 N 6.18 -2.30 0.01 -1.39 0.00 -1.26 -4.95 105.19 101.48 2crb n GLY 10 Ca 0.42 0.75 0.07 0.00 0.00 0.00 0.00 46.02 47.26 2crb n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crb n PRO 11 N -0.94 0.01 -0.07 1.61 -0.04 -1.26 -3.04 135.00 131.29 2crb n PRO 11 Ca 0.00 0.27 -0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2crb n PRO 11 Cb 0.00 -1.53 -0.09 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.00 -0.52 1.53 3.38 -1.93 -3.21 115.31 114.56 2crb h LEU 12 Ca 0.00 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.31 2crb h LEU 12 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2crb h LEU 12 CO 0.00 0.90 0.31 -1.13 0.09 0.00 0.00 178.44 178.62 2crb h ASN 13 N -1.00 0.51 -0.32 -0.43 -0.73 -1.86 -1.95 115.58 109.80 2crb h ASN 13 Ca -0.03 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.22 2crb h ASN 13 Cb 0.76 -0.10 -0.07 0.00 0.27 0.00 0.00 38.32 39.17 2crb h ASN 13 CO -0.02 0.36 -0.13 -0.07 -0.37 0.00 0.00 177.43 177.20 2crb h LEU 14 N 0.62 -0.46 -1.54 0.34 3.38 -1.69 -0.19 115.31 115.77 2crb h LEU 14 Ca 0.21 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2crb h LEU 14 Cb 0.02 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2crb h LEU 14 CO -0.09 -0.17 0.16 0.00 0.09 0.00 0.00 178.44 178.43 2crb h ALA 15 N 1.19 1.65 -0.69 1.53 0.00 -1.48 -2.30 119.26 119.15 2crb h ALA 15 Ca 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2crb h ALA 15 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2crb h ALA 15 CO -0.37 0.29 0.19 0.45 0.00 0.00 0.00 179.25 179.81 2crb h HIS 16 N 0.47 1.14 -0.98 0.00 3.86 -0.30 -2.61 115.15 116.73 2crb h HIS 16 Ca 0.12 -0.13 0.20 0.00 -1.16 0.00 0.00 60.37 59.40 2crb h HIS 16 Cb 0.06 -0.33 -0.09 0.00 1.06 0.00 0.00 27.41 28.11 2crb h HIS 16 CO 0.00 0.93 0.62 1.96 0.86 0.00 0.00 177.93 182.29 2crb h GLN 17 N 1.03 0.61 0.01 2.45 4.20 -0.66 -1.84 115.11 120.91 2crb h GLN 17 Ca 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2crb h GLN 17 Cb 0.34 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2crb h GLN 17 CO -0.00 0.40 -0.00 1.96 -0.67 0.00 0.00 178.83 180.52 2crb h GLN 18 N 0.63 -0.01 -0.80 1.46 4.20 -1.52 -3.33 115.11 115.74 2crb h GLN 18 Ca 0.55 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.37 2crb h GLN 18 Cb 1.04 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.70 2crb h GLN 18 CO -0.31 0.67 -0.37 0.45 -0.67 0.00 0.00 178.83 178.60 2crb n SER 19 N -4.77 -0.63 -0.25 1.46 2.88 -0.71 0.11 113.62 111.72 2crb n SER 19 Ca -0.09 1.40 -0.09 0.00 -1.33 0.00 0.00 58.87 58.77 2crb n SER 19 Cb 0.34 -0.27 -0.05 0.00 -0.75 0.00 0.00 64.21 63.48 2crb n SER 19 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2crb h ARG 20 N 0.00 -0.19 -0.49 -1.46 2.47 -1.62 -0.73 114.38 112.35 2crb h ARG 20 Ca 0.23 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.04 2crb h ARG 20 Cb 0.43 0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 28.69 2crb h ARG 20 CO -0.78 -0.12 -0.41 -0.09 0.56 0.00 0.00 179.97 179.13 2crb h ARG 21 N -0.19 -0.25 -0.85 0.04 2.43 -0.46 0.14 114.38 115.24 2crb h ARG 21 Ca 0.18 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.55 2crb h ARG 21 Cb 0.55 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.04 2crb h ARG 21 CO -0.74 -0.17 0.36 0.00 -1.51 0.00 0.00 179.97 177.91 2crb h ALA 22 N 0.61 1.29 0.17 2.80 0.00 -0.81 0.67 119.26 123.98 2crb h ALA 22 Ca 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2crb h ALA 22 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2crb h ALA 22 CO -0.63 -0.27 -0.08 -0.44 0.00 0.00 0.00 179.25 177.83 2crb h ASP 23 N 0.44 -0.19 -0.28 0.00 5.19 0.12 -0.60 116.42 121.09 2crb h ASP 23 Ca 0.50 -0.18 0.08 0.00 -0.62 0.00 0.00 57.03 56.81 2crb h ASP 23 Cb 0.87 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 2crb h ASP 23 CO -0.47 0.07 0.22 0.03 -3.12 0.00 0.00 179.24 175.96 2crb h ARG 24 N -0.46 0.00 0.13 3.56 2.47 0.14 -1.42 114.38 118.79 2crb h ARG 24 Ca -0.02 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.43 2crb h ARG 24 Cb 0.36 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2crb h ARG 24 CO 0.04 0.00 -1.13 -0.07 0.56 0.00 0.00 179.97 179.36 2crb h LEU 25 N 0.00 0.78 -0.78 3.04 3.38 -0.62 -3.23 115.31 117.87 2crb h LEU 25 Ca 0.13 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.35 2crb h LEU 25 Cb 0.56 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 2crb h LEU 25 CO -0.00 1.55 0.43 0.25 0.09 0.00 0.00 178.44 180.76 2crb h LEU 26 N 0.12 0.60 -1.43 1.67 5.85 -0.02 0.21 115.31 122.32 2crb h LEU 26 Ca -0.18 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2crb h LEU 26 Cb 1.84 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 2crb h LEU 26 CO 0.22 0.35 0.08 0.00 -0.34 0.00 0.00 178.44 178.74 2crb h ALA 27 N 1.44 1.55 -0.25 1.25 0.00 -1.55 -0.83 119.26 120.87 2crb h ALA 27 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2crb h ALA 27 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2crb h ALA 27 CO -0.25 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2crb n ALA 28 N -2.48 2.47 -0.98 0.00 0.00 -0.21 -4.87 120.51 114.44 2crb n ALA 28 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2crb n ALA 28 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.94 0.32 1.71 0.00 0.00 -0.32 -4.87 105.19 102.97 2crb n GLY 29 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.37 1.40 -0.15 1.61 4.76 0.57 -4.68 118.16 120.31 2crb n LYS 30 Ca 0.00 -0.51 -0.04 0.00 -2.87 0.00 0.00 58.31 54.89 2crb n LYS 30 Cb 0.19 -1.37 -0.04 0.00 -1.84 0.00 0.00 35.03 31.97 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 1.63 -0.16 -0.32 2.13 4.01 -1.26 -0.83 117.16 122.36 2crb n TYR 31 Ca 0.16 0.44 -0.07 0.00 -0.16 0.00 0.00 57.90 58.28 2crb n TYR 31 Cb 0.62 -0.50 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 2crb n TYR 31 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2crb n GLU 32 N -3.78 -0.31 -0.29 -0.72 0.00 -1.26 0.16 120.64 114.44 2crb n GLU 32 Ca 0.01 1.18 0.10 0.00 0.00 0.00 0.00 57.16 58.45 2crb n GLU 32 Cb 0.09 -1.74 0.25 0.00 0.00 0.00 0.00 31.44 30.05 2crb n GLU 32 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2crb h GLU 33 N 0.00 0.37 -0.08 5.31 5.08 -1.37 -1.06 114.58 122.83 2crb h GLU 33 Ca 0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2crb h GLU 33 Cb 0.35 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2crb h GLU 33 CO -0.74 0.25 -0.01 0.00 -1.00 0.00 0.00 179.01 177.50 2crb h ALA 34 N 1.66 0.11 -0.92 3.43 0.00 0.23 -3.01 119.26 120.76 2crb h ALA 34 Ca 0.50 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.32 2crb h ALA 34 Cb 0.89 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 2crb h ALA 34 CO -0.50 -0.18 -0.45 -0.89 0.00 0.00 0.00 179.25 177.23 2crb n ILE 35 N -4.81 -0.56 0.14 0.00 5.41 0.68 -0.49 119.36 119.74 2crb n ILE 35 Ca -0.07 2.20 -0.13 0.00 1.00 0.00 0.00 62.75 65.75 2crb n ILE 35 Cb 0.22 -2.81 -0.07 0.00 -0.71 0.00 0.00 39.64 36.27 2crb n ILE 35 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2crb h SER 36 N 0.00 -0.39 -0.79 4.38 0.87 -1.55 -2.62 113.55 113.47 2crb h SER 36 Ca 0.23 0.03 0.23 0.00 -1.23 0.00 0.00 61.79 61.06 2crb h SER 36 Cb 0.47 0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 62.41 2crb h SER 36 CO -0.89 -0.23 0.07 0.00 -0.53 0.00 0.00 176.83 175.24 2crb h HIS 38 N 0.00 1.09 -0.97 0.00 3.86 -1.09 -2.87 115.15 115.18 2crb h HIS 38 Ca 0.50 -0.37 0.11 0.00 -1.16 0.00 0.00 60.37 59.45 2crb h HIS 38 Cb 1.08 -0.21 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 2crb h HIS 38 CO -0.35 1.20 0.60 0.00 0.86 0.00 0.00 177.93 180.23 2crb h ARG 39 N 0.69 0.94 0.48 2.45 3.08 0.32 -0.75 114.38 121.59 2crb h ARG 39 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2crb h ARG 39 Cb 1.11 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2crb h ARG 39 CO 0.11 0.62 -0.23 0.87 -1.07 0.00 0.00 179.97 180.27 2crb h LYS 40 N 0.97 -0.62 -0.75 0.04 6.56 -1.17 -2.26 116.57 119.34 2crb h LYS 40 Ca 0.47 0.04 0.14 0.00 -1.06 0.00 0.00 60.65 60.25 2crb h LYS 40 Cb 0.44 0.14 -0.14 0.00 -0.57 0.00 0.00 32.23 32.10 2crb h LYS 40 CO -0.26 -0.41 -0.24 0.00 -2.06 0.00 0.00 179.45 176.48 2crb h ALA 41 N -1.38 0.36 0.15 3.86 0.00 -1.34 -0.50 119.26 120.40 2crb h ALA 41 Ca -0.07 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2crb h ALA 41 Cb 0.49 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2crb h ALA 41 CO 0.11 -0.49 -0.26 1.79 0.00 0.00 0.00 179.25 180.41 2crb h THR 42 N -0.04 0.44 -0.85 0.00 1.35 -1.20 0.05 112.91 112.66 2crb h THR 42 Ca 0.34 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.37 2crb h THR 42 Cb 0.57 0.44 -0.11 0.00 -1.73 0.00 0.00 68.15 67.32 2crb h THR 42 CO -0.79 0.00 0.40 0.74 -0.25 0.00 0.00 175.52 175.62 2crb h THR 43 N -0.48 0.62 -0.42 6.82 2.02 -0.53 0.11 112.91 121.05 2crb h THR 43 Ca 0.02 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 2crb h THR 43 Cb 0.49 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2crb h THR 43 CO -0.13 0.09 -0.21 0.22 0.37 0.00 0.00 175.52 175.87 2crb h TYR 44 N 0.51 0.94 0.22 3.16 3.20 -0.59 -2.74 116.97 121.66 2crb h TYR 44 Ca 0.49 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2crb h TYR 44 Cb 0.81 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2crb h TYR 44 CO -0.12 0.96 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.18 2crb h LEU 45 N 0.72 -0.25 -1.56 2.82 3.38 0.11 -1.11 115.31 119.43 2crb h LEU 45 Ca 0.10 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.08 2crb h LEU 45 Cb 0.73 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2crb h LEU 45 CO 0.06 0.01 0.52 0.28 0.09 0.00 0.00 178.44 179.41 2crb h SER 46 N -0.51 0.40 -0.15 -0.43 0.02 -0.96 -0.49 113.55 111.43 2crb h SER 46 Ca -0.03 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2crb h SER 46 Cb 0.38 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.88 2crb h SER 46 CO 0.05 0.20 -0.78 -0.33 -1.14 0.00 0.00 176.83 174.82 2crb h GLU 47 N 0.42 0.80 -0.06 3.45 4.39 -1.25 -3.13 114.58 119.20 2crb h GLU 47 Ca 0.39 -0.65 0.03 0.00 0.34 0.00 0.00 59.36 59.47 2crb h GLU 47 Cb 0.91 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.63 2crb h GLU 47 CO -0.13 1.26 -0.46 0.00 -1.16 0.00 0.00 179.01 178.51 2crb h ALA 48 N 0.55 -0.74 -0.51 3.43 0.00 0.23 -0.10 119.26 122.12 2crb h ALA 48 Ca -0.05 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2crb h ALA 48 Cb 1.41 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 2crb h ALA 48 CO 0.16 -1.00 0.35 0.00 0.00 0.00 0.00 179.25 178.76 2crb h MET 49 N -0.58 0.29 0.00 0.00 -0.00 -1.60 0.32 114.93 113.36 2crb h MET 49 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 2crb h MET 49 Cb 0.67 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 2crb h MET 49 CO -0.37 0.19 0.00 1.63 -0.00 0.00 0.00 176.91 178.36 2crb n LYS 50 N -4.46 0.72 -0.02 -0.10 5.02 -0.09 -3.40 118.16 115.83 2crb n LYS 50 Ca 0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.34 2crb n LYS 50 Cb 0.36 -1.32 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 2crb n LYS 50 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2crb n LEU 51 N -0.82 1.40 -4.74 -0.35 7.94 0.10 -5.03 117.00 115.51 2crb n LEU 51 Ca 0.11 0.02 -0.41 0.00 -1.11 0.00 0.00 56.01 54.61 2crb n LEU 51 Cb 0.05 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 43.87 2crb n LEU 51 CO 0.08 0.27 1.08 0.28 -1.11 0.00 0.00 177.39 178.00 2crb s THR 52 N -2.06 2.86 -1.46 1.96 -1.32 -0.58 -4.91 115.64 110.14 2crb s THR 52 Ca -0.04 0.70 0.17 0.00 -1.21 0.00 0.00 61.69 61.30 2crb s THR 52 Cb 0.01 -3.45 0.61 0.00 -1.51 0.00 0.00 72.50 68.17 2crb s THR 52 CO 0.06 0.10 1.51 -0.62 -2.21 0.00 0.00 174.62 173.46 2crb n GLU 53 N 2.70 3.11 -4.01 7.08 1.02 -1.26 -4.91 120.64 124.37 2crb n GLU 53 Ca 0.08 -2.44 -0.21 0.00 -0.02 0.00 0.00 57.16 54.56 2crb n GLU 53 Cb 0.41 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 2crb n GLU 53 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2crb s SER 54 N -0.89 5.96 -0.03 1.62 1.04 -1.26 -5.07 113.70 115.07 2crb s SER 54 Ca 0.44 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.78 2crb s SER 54 Cb 0.27 -1.63 -0.00 0.00 0.10 0.00 0.00 66.02 64.75 2crb s SER 54 CO 0.24 -0.08 -0.01 -0.08 0.98 0.00 0.00 173.24 174.29 2crb h GLU 55 N 1.29 0.00 -0.86 4.02 4.81 -2.00 -3.30 114.58 118.54 2crb h GLU 55 Ca -0.50 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.83 2crb h GLU 55 Cb 1.23 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.49 2crb h GLU 55 CO 0.61 0.00 -0.50 0.37 -0.73 0.00 0.00 179.01 178.76 2crb h GLN 56 N -0.22 -0.08 -0.87 1.92 4.15 -2.00 0.15 115.11 118.17 2crb h GLN 56 Ca 0.00 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.59 2crb h GLN 56 Cb 0.03 0.02 -0.16 0.00 0.21 0.00 0.00 27.48 27.58 2crb h GLN 56 CO 0.00 -0.05 -0.27 0.00 -1.93 0.00 0.00 178.83 176.58 2crb h ALA 57 N 0.74 0.42 -0.89 3.38 0.00 -1.97 0.74 119.26 121.69 2crb h ALA 57 Ca 0.21 0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.50 2crb h ALA 57 Cb 0.51 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2crb h ALA 57 CO -0.87 -0.47 0.58 1.25 0.00 0.00 0.00 179.25 179.73 2crb h HIS 58 N -0.02 1.01 0.52 0.00 -0.00 -0.80 -2.68 115.15 113.17 2crb h HIS 58 Ca 0.38 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.76 2crb h HIS 58 Cb 0.62 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2crb h HIS 58 CO -0.72 0.52 -0.28 -0.07 -0.00 0.00 0.00 177.93 177.39 2crb h LEU 59 N 0.99 -0.67 -1.54 0.26 3.38 0.12 0.09 115.31 117.94 2crb h LEU 59 Ca 0.39 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.44 2crb h LEU 59 Cb 0.23 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2crb h LEU 59 CO -0.15 -0.45 0.55 0.28 0.09 0.00 0.00 178.44 178.76 2crb h SER 60 N -0.74 0.00 0.00 -0.43 0.02 -1.01 -0.59 113.55 110.81 2crb h SER 60 Ca -0.07 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 2crb h SER 60 Cb 0.58 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 2crb h SER 60 CO 0.09 0.00 -0.93 -0.07 -1.14 0.00 0.00 176.83 174.79 2crb h LEU 61 N 0.00 0.00 -2.10 5.07 3.38 -1.19 -3.01 115.31 117.46 2crb h LEU 61 Ca 0.08 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.72 2crb h LEU 61 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2crb h LEU 61 CO -0.00 1.22 0.33 1.05 0.09 0.00 0.00 178.44 181.13 2crb h GLU 62 N -1.00 0.00 0.02 1.13 4.11 0.42 0.12 114.58 119.38 2crb h GLU 62 Ca -0.22 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.06 2crb h GLU 62 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2crb h GLU 62 CO -0.13 0.00 -0.79 -0.07 0.07 0.00 0.00 179.01 178.08 2crb h LEU 63 N 0.00 0.05 -1.51 3.06 3.38 -1.32 -3.28 115.31 115.69 2crb h LEU 63 Ca 0.10 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 2crb h LEU 63 Cb 0.76 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2crb h LEU 63 CO -0.00 1.32 0.17 -0.61 0.09 0.00 0.00 178.44 179.40 2crb h GLN 64 N -0.91 0.49 -0.15 1.13 5.75 -1.17 -2.67 115.11 117.58 2crb h GLN 64 Ca -0.21 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.24 2crb h GLN 64 Cb 1.25 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 2crb h GLN 64 CO -0.09 0.39 0.08 -0.09 -2.65 0.00 0.00 178.83 176.47 2crb h ARG 65 N 0.50 0.22 -0.30 1.69 2.43 -0.95 -2.94 114.38 115.02 2crb h ARG 65 Ca 0.13 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2crb h ARG 65 Cb 0.07 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2crb h ARG 65 CO -0.02 0.24 -0.18 -3.47 -1.51 0.00 0.00 179.97 175.04 2crb n ASP 66 N -4.92 -0.32 0.23 -3.80 2.03 -1.01 -0.87 116.55 107.90 2crb n ASP 66 Ca -0.04 0.96 -0.16 0.00 0.52 0.00 0.00 54.79 56.06 2crb n ASP 66 Cb 0.08 -0.28 -0.08 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.07 -1.40 1.67 4.64 -1.68 0.12 113.55 115.82 2crb h SER 67 Ca 0.05 0.09 0.41 0.00 -0.47 0.00 0.00 61.79 61.87 2crb h SER 67 Cb 0.12 0.36 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 2crb h SER 67 CO -0.28 -0.53 1.19 1.41 -0.87 0.00 0.00 176.83 177.74 2crb n HIS 68 N -5.49 0.00 -0.09 4.77 8.25 -0.05 0.13 115.22 122.75 2crb n HIS 68 Ca -0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.16 2crb n HIS 68 Cb 0.39 -0.35 -0.12 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.40 0.67 -0.29 -0.41 2.00 -0.51 -3.80 117.12 111.37 2crb n MET 69 Ca 0.32 0.21 0.16 0.00 0.00 0.00 0.00 57.70 58.38 2crb n MET 69 Cb 1.61 -1.58 0.42 0.00 0.00 0.00 0.00 33.22 33.67 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 -0.11 0.56 0.03 0.03 2.10 0.37 0.65 116.57 120.20 2crb h LYS 70 Ca -0.54 -0.03 -0.23 0.00 -2.00 0.00 0.00 60.65 57.84 2crb h LYS 70 Cb 1.89 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 33.09 2crb h LYS 70 CO -0.08 0.37 -1.00 1.96 -2.00 0.00 0.00 179.45 178.71 2crb h GLN 71 N 0.58 0.37 -0.11 0.07 1.08 -1.34 -2.86 115.11 112.90 2crb h GLN 71 Ca 0.51 -0.43 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2crb h GLN 71 Cb 1.02 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2crb h GLN 71 CO -0.25 1.12 0.03 1.25 -0.95 0.00 0.00 178.83 180.03 2crb h LEU 72 N 0.19 0.03 -0.91 1.46 5.85 -1.01 0.22 115.31 121.15 2crb h LEU 72 Ca -0.09 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2crb h LEU 72 Cb 1.65 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 2crb h LEU 72 CO 0.17 0.04 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.16 2crb h LEU 73 N 0.08 0.70 -0.20 2.25 3.38 -1.40 -1.06 115.31 119.07 2crb h LEU 73 Ca 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2crb h LEU 73 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2crb h LEU 73 CO -0.05 0.82 -0.03 -0.07 0.09 0.00 0.00 178.44 179.20 2crb h LEU 74 N 0.67 0.37 -0.00 1.67 3.38 -1.21 -2.67 115.31 117.51 2crb h LEU 74 Ca 0.12 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2crb h LEU 74 Cb 0.52 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2crb h LEU 74 CO 0.03 0.63 0.00 0.40 0.09 0.00 0.00 178.44 179.59 2crb h ILE 75 N 0.10 1.16 -0.10 1.22 2.04 -0.46 -1.46 117.51 120.00 2crb h ILE 75 Ca 0.05 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2crb h ILE 75 Cb 0.46 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2crb h ILE 75 CO 0.02 0.12 -0.54 1.56 0.00 0.00 0.00 178.15 179.31 2crb h GLN 76 N -0.19 -0.58 -0.98 2.37 4.20 -1.22 -0.59 115.11 118.13 2crb h GLN 76 Ca 0.00 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2crb h GLN 76 Cb 0.19 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 2crb h GLN 76 CO -0.00 -0.39 0.62 1.05 -0.67 0.00 0.00 178.83 179.45 2crb h GLU 77 N -0.60 1.05 0.00 1.46 4.11 -1.49 0.21 114.58 119.32 2crb h GLU 77 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2crb h GLU 77 Cb 0.69 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2crb h GLU 77 CO -0.42 0.70 0.00 0.54 0.07 0.00 0.00 179.01 179.90 2crb n ARG 78 N -4.56 0.06 -0.04 1.06 5.12 -0.46 -2.69 116.66 115.15 2crb n ARG 78 Ca 0.16 0.44 -0.03 0.00 -1.93 0.00 0.00 57.85 56.48 2crb n ARG 78 Cb 0.24 -1.65 -0.01 0.00 -1.16 0.00 0.00 32.46 29.87 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 -1.78 0.53 -0.49 -1.55 -0.00 0.70 -3.56 117.44 111.29 2crb n TRP 79 Ca 0.01 0.23 0.43 0.00 -0.00 0.00 0.00 57.50 58.17 2crb n TRP 79 Cb 0.10 -0.55 0.77 0.00 -0.00 0.00 0.00 31.31 31.64 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 -0.61 0.01 -0.04 5.87 2.10 -1.44 0.46 116.57 122.93 2crb h LYS 80 Ca 0.00 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2crb h LYS 80 Cb 0.33 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2crb h LYS 80 CO 0.00 0.01 -0.12 0.00 -2.00 0.00 0.00 179.45 177.34 2crb h ARG 81 N 0.01 0.14 -0.44 0.07 3.08 -1.69 -3.25 114.38 112.31 2crb h ARG 81 Ca 0.73 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.61 2crb h ARG 81 Cb 2.89 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 32.94 2crb h ARG 81 CO -0.03 0.73 0.02 0.00 -1.07 0.00 0.00 179.97 179.63 2crb h ALA 82 N 0.41 1.23 -1.00 0.04 0.00 -0.25 0.58 119.26 120.27 2crb h ALA 82 Ca -0.00 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.89 2crb h ALA 82 Cb 0.75 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2crb h ALA 82 CO 0.03 0.52 0.62 0.87 0.00 0.00 0.00 179.25 181.28 2crb h LYS 83 N 0.66 0.60 0.04 0.00 1.79 -0.98 0.61 116.57 119.28 2crb h LYS 83 Ca 0.14 -0.04 -0.33 0.00 -2.18 0.00 0.00 60.65 58.24 2crb h LYS 83 Cb 0.38 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 2crb h LYS 83 CO 0.01 0.39 -1.86 -2.13 -1.08 0.00 0.00 179.45 174.79 2crb n ARG 84 N -4.71 0.64 0.26 3.15 3.00 -1.03 -3.83 116.66 114.14 2crb n ARG 84 Ca 0.24 0.37 -0.10 0.00 -0.00 0.00 0.00 57.85 58.36 2crb n ARG 84 Cb 0.67 -1.66 -0.05 0.00 0.00 0.00 0.00 32.46 31.42 2crb n ARG 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2crb h GLU 85 N -0.55 -0.64 -0.77 -0.14 4.39 -0.55 -2.52 114.58 113.79 2crb h GLU 85 Ca -0.46 0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.44 2crb h GLU 85 Cb 1.66 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 30.31 2crb h GLU 85 CO -0.14 -0.43 -0.15 1.49 -1.16 0.00 0.00 179.01 178.62 2crb h GLU 86 N -0.73 0.02 -0.43 2.33 4.81 0.00 1.06 114.58 121.64 2crb h GLU 86 Ca -0.07 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.29 2crb h GLU 86 Cb 0.51 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2crb h GLU 86 CO 0.11 0.01 0.33 0.00 -0.73 0.00 0.00 179.01 178.74 2crb h ARG 87 N 0.02 0.00 0.00 1.92 2.47 -1.59 0.90 114.38 118.10 2crb h ARG 87 Ca 0.38 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 59.06 2crb h ARG 87 Cb 0.61 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2crb h ARG 87 CO -0.77 0.00 -0.33 -0.07 0.56 0.00 0.00 179.97 179.36 2crb h LEU 88 N 0.00 0.00 -2.16 3.04 3.38 0.15 -3.34 115.31 116.38 2crb h LEU 88 Ca 0.21 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2crb h LEU 88 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2crb h LEU 88 CO -0.00 0.93 -0.00 0.07 0.09 0.00 0.00 178.44 179.52 2crb h LYS 89 N -1.00 0.00 -6.46 1.13 2.10 -0.38 -3.43 116.57 108.53 2crb h LYS 89 Ca -0.07 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.05 2crb h LYS 89 Cb 0.72 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.02 2crb h LYS 89 CO -0.04 0.00 0.22 0.00 -2.00 0.00 0.00 179.45 177.64 2crb s ALA 90 N -3.90 3.36 -0.59 0.07 0.00 0.31 -4.97 121.76 116.03 2crb s ALA 90 Ca -0.02 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 2crb s ALA 90 Cb 0.11 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 2crb s ALA 90 CO 0.49 0.13 1.95 -1.58 0.00 0.00 0.00 175.76 176.74 2crb s HIS 91 N -0.46 1.57 0.22 0.00 2.46 -1.26 -4.87 115.29 112.94 2crb s HIS 91 Ca 0.40 0.91 -0.23 0.00 0.47 0.00 0.00 55.06 56.61 2crb s HIS 91 Cb -0.22 -4.01 0.04 0.00 -0.13 0.00 0.00 32.58 28.26 2crb s HIS 91 CO 0.26 -2.34 0.83 -1.12 -2.47 0.00 0.00 174.74 169.90 2crb s SER 92 N 8.75 -0.23 0.00 9.88 0.01 -1.26 -5.15 113.70 125.70 2crb s SER 92 Ca 0.72 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2crb s SER 92 Cb -0.13 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2crb s SER 92 CO 0.21 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2crb n GLY 93 N -0.46 -1.46 3.77 3.44 0.00 -1.26 -4.94 105.19 104.28 2crb n GLY 93 Ca -0.05 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 2crb n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crb s PRO 94 N 0.00 3.33 0.43 1.61 0.04 -1.26 -5.06 135.00 134.08 2crb s PRO 94 Ca 0.00 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2crb s PRO 94 Cb 0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2crb s PRO 94 CO 0.00 -0.87 0.10 -1.54 0.04 0.00 0.00 177.00 174.73 2crb s SER 95 N -1.81 4.16 -0.02 6.66 1.04 -1.26 -5.08 113.70 117.39 2crb s SER 95 Ca 0.72 -1.27 -0.18 0.00 0.48 0.00 0.00 55.95 55.70 2crb s SER 95 Cb -0.24 -0.30 -0.10 0.00 0.10 0.00 0.00 66.02 65.48 2crb s SER 95 CO 0.28 -0.56 0.76 -1.28 0.98 0.00 0.00 173.24 173.42 2crb h SER 96 N 1.54 -0.52 0.00 7.02 0.87 -2.03 -3.56 113.55 116.87 2crb h SER 96 Ca -0.43 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2crb h SER 96 Cb 1.26 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2crb h SER 96 CO 0.75 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.56