#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 -0.59 -4.15 1.61 3.41 -1.26 -4.81 113.62 107.83 2crb n SER 2 Ca 0.00 -1.23 -0.35 0.00 -0.26 0.00 0.00 58.87 57.03 2crb n SER 2 Cb 0.00 -1.55 0.07 0.00 -0.26 0.00 0.00 64.21 62.47 2crb n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2crb n SER 3 N -2.55 -4.41 0.00 4.04 7.64 -1.26 -4.99 113.62 112.09 2crb n SER 3 Ca -0.08 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2crb n SER 3 Cb 0.54 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 2.76 0.34 3.46 0.23 0.00 -1.26 -5.07 105.19 105.65 2crb n GLY 4 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.02 2crb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crb s SER 5 N -1.33 -0.95 -0.04 1.61 0.15 -1.26 -5.06 113.70 106.82 2crb s SER 5 Ca 0.00 1.13 -0.23 0.00 0.70 0.00 0.00 55.95 57.55 2crb s SER 5 Cb 0.00 2.01 -0.17 0.00 -1.71 0.00 0.00 66.02 66.14 2crb s SER 5 CO 0.00 -0.18 0.99 0.28 1.20 0.00 0.00 173.24 175.53 2crb h SER 6 N 7.83 -0.15 0.00 5.45 0.02 -2.00 -3.49 113.55 121.21 2crb h SER 6 Ca -0.18 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2crb h SER 6 Cb 1.12 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2crb h SER 6 CO 0.10 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 2crb n GLY 7 N 0.49 0.42 3.91 -3.77 0.00 -1.26 -4.81 105.19 100.17 2crb n GLY 7 Ca -0.08 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 7.43 -0.95 -1.05 1.61 2.00 -1.26 -4.70 117.12 120.20 2crb n MET 8 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 57.70 57.46 2crb n MET 8 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 33.22 30.40 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 -3.78 2.79 0.00 0.03 -0.58 -1.26 -3.73 120.64 114.12 2crb n GLU 9 Ca -0.25 -1.85 0.00 0.00 -0.42 0.00 0.00 57.16 54.64 2crb n GLU 9 Cb 0.54 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 2crb n GLU 9 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2crb n GLY 10 N 3.74 -1.21 0.28 0.62 0.00 -1.26 -4.94 105.19 102.41 2crb n GLY 10 Ca 0.60 0.30 0.17 0.00 0.00 0.00 0.00 46.02 47.10 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 -0.26 1.61 0.13 -1.98 -2.93 132.00 128.57 2crb h PRO 11 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 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 -0.45 -0.07 -0.23 0.00 0.00 178.00 177.25 2crb h LEU 12 N 0.00 0.84 -0.23 1.56 3.38 -1.92 -2.87 115.31 116.06 2crb h LEU 12 Ca 0.00 -0.53 -0.17 0.00 0.09 0.00 0.00 57.88 57.27 2crb h LEU 12 Cb 0.48 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2crb h LEU 12 CO 0.00 1.21 -0.52 -1.13 0.09 0.00 0.00 178.44 178.09 2crb h ASN 13 N 0.50 0.86 -0.42 -0.43 -0.00 -1.82 -3.13 115.58 111.15 2crb h ASN 13 Ca 0.02 -0.55 0.07 0.00 -0.00 0.00 0.00 56.30 55.83 2crb h ASN 13 Cb 1.05 -0.25 -0.06 0.00 -0.00 0.00 0.00 38.32 39.06 2crb h ASN 13 CO 0.10 1.26 0.07 -0.07 -0.00 0.00 0.00 177.43 178.79 2crb h LEU 14 N 0.51 -0.02 -2.17 0.34 3.38 -1.55 0.11 115.31 115.91 2crb h LEU 14 Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2crb h LEU 14 Cb 1.13 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2crb h LEU 14 CO 0.11 0.03 -0.00 0.00 0.09 0.00 0.00 178.44 178.67 2crb h ALA 15 N 1.32 1.82 0.08 1.53 0.00 -1.53 -2.62 119.26 119.87 2crb h ALA 15 Ca 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2crb h ALA 15 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2crb h ALA 15 CO -0.28 0.00 -0.04 0.45 0.00 0.00 0.00 179.25 179.39 2crb h HIS 16 N 0.00 -0.10 -0.93 0.00 3.86 -0.94 -2.48 115.15 114.56 2crb h HIS 16 Ca -0.00 -0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.50 2crb h HIS 16 Cb 0.01 0.03 -0.17 0.00 1.06 0.00 0.00 27.41 28.34 2crb h HIS 16 CO 0.00 0.30 0.17 1.04 0.86 0.00 0.00 177.93 180.30 2crb n GLN 17 N -4.94 -0.07 0.05 2.45 6.02 -0.89 0.14 117.38 120.13 2crb n GLN 17 Ca -0.08 1.35 -0.17 0.00 -0.01 0.00 0.00 57.00 58.09 2crb n GLN 17 Cb 0.23 -2.23 -0.08 0.00 1.02 0.00 0.00 30.24 29.18 2crb n GLN 17 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2crb h GLN 18 N 0.00 0.60 -0.54 -1.09 1.08 -1.61 -3.30 115.11 110.24 2crb h GLN 18 Ca 0.63 -0.63 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2crb h GLN 18 Cb 1.45 0.18 -0.11 0.00 -0.05 0.00 0.00 27.48 28.95 2crb h GLN 18 CO -0.82 1.24 -0.18 0.77 -0.95 0.00 0.00 178.83 178.88 2crb h SER 19 N 0.35 -0.65 -0.45 1.46 0.02 0.18 -1.23 113.55 113.23 2crb h SER 19 Ca -0.10 0.18 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 2crb h SER 19 Cb 1.63 0.39 -0.10 0.00 0.14 0.00 0.00 62.40 64.46 2crb h SER 19 CO 0.19 -0.22 -0.27 0.03 -1.14 0.00 0.00 176.83 175.42 2crb h ARG 20 N -0.05 -0.17 -0.38 3.45 2.47 -1.44 -1.44 114.38 116.80 2crb h ARG 20 Ca 0.26 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.07 2crb h ARG 20 Cb 0.45 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.72 2crb h ARG 20 CO -0.59 -0.12 -0.28 -0.09 0.56 0.00 0.00 179.97 179.46 2crb h ARG 21 N -0.18 -0.21 -0.97 0.04 2.43 -1.36 0.17 114.38 114.31 2crb h ARG 21 Ca 0.20 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.60 2crb h ARG 21 Cb 0.50 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 2crb h ARG 21 CO -0.55 -0.14 0.62 0.00 -1.51 0.00 0.00 179.97 178.39 2crb h ALA 22 N 0.88 2.06 -0.06 2.80 0.00 -0.91 0.93 119.26 124.96 2crb h ALA 22 Ca 0.18 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2crb h ALA 22 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2crb h ALA 22 CO -0.51 -0.40 -0.25 -0.44 0.00 0.00 0.00 179.25 177.65 2crb h ASP 23 N 0.51 0.32 0.16 0.00 3.32 -0.16 -2.19 116.42 118.38 2crb h ASP 23 Ca 0.53 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2crb h ASP 23 Cb 1.17 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 2crb h ASP 23 CO -0.26 0.91 -0.06 0.03 -1.72 0.00 0.00 179.24 178.14 2crb h ARG 24 N -0.24 0.00 0.20 3.56 2.47 0.47 -2.45 114.38 118.39 2crb h ARG 24 Ca -0.01 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.45 2crb h ARG 24 Cb 0.89 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.24 2crb h ARG 24 CO 0.05 0.06 -1.15 -0.07 0.56 0.00 0.00 179.97 179.42 2crb h LEU 25 N 0.00 0.65 -1.35 3.04 3.38 -0.83 -3.26 115.31 116.95 2crb h LEU 25 Ca -0.00 -0.94 0.10 0.00 0.09 0.00 0.00 57.88 57.13 2crb h LEU 25 Cb 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2crb h LEU 25 CO 0.01 1.55 0.52 0.25 0.09 0.00 0.00 178.44 180.86 2crb h LEU 26 N -0.12 0.65 -0.97 1.67 5.85 -0.92 0.24 115.31 121.70 2crb h LEU 26 Ca -0.20 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 2crb h LEU 26 Cb 1.90 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2crb h LEU 26 CO 0.21 0.38 -0.19 0.00 -0.34 0.00 0.00 178.44 178.50 2crb h ALA 27 N 1.60 1.14 -0.19 1.25 0.00 -1.58 -2.10 119.26 119.38 2crb h ALA 27 Ca 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2crb h ALA 27 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2crb h ALA 27 CO -0.14 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2crb n ALA 28 N -2.48 2.49 -1.05 0.00 0.00 -0.18 -4.87 120.51 114.42 2crb n ALA 28 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 2crb n ALA 28 Cb 0.37 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 0.92 0.52 3.21 0.00 0.00 -0.79 -4.95 105.19 104.10 2crb n GLY 29 Ca 0.10 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.45 3.63 0.22 1.61 4.76 0.66 -4.83 118.16 121.75 2crb n LYS 30 Ca -0.02 -3.99 -0.09 0.00 -2.87 0.00 0.00 58.31 51.35 2crb n LYS 30 Cb 0.12 -2.84 -0.04 0.00 -1.84 0.00 0.00 35.03 30.43 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 6.42 -0.53 -0.98 2.13 0.05 -1.89 -2.64 116.97 119.52 2crb h TYR 31 Ca 0.29 -0.01 0.33 0.00 0.05 0.00 0.00 58.73 59.39 2crb h TYR 31 Cb 0.77 0.18 -0.18 0.00 1.01 0.00 0.00 36.73 38.51 2crb h TYR 31 CO 1.06 -0.33 0.28 1.49 -1.05 0.00 0.00 178.16 179.60 2crb h GLU 32 N -0.78 0.04 -0.78 4.88 4.22 -1.93 1.32 114.58 121.54 2crb h GLU 32 Ca -0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 2crb h GLU 32 Cb 0.44 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2crb h GLU 32 CO 0.10 0.03 0.37 0.93 -2.18 0.00 0.00 179.01 178.25 2crb h GLU 33 N 0.05 1.12 -0.23 1.92 4.39 -1.95 -2.64 114.58 117.23 2crb h GLU 33 Ca 0.70 -0.16 -0.16 0.00 0.34 0.00 0.00 59.36 60.07 2crb h GLU 33 Cb 1.64 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2crb h GLU 33 CO -0.82 0.87 -0.52 0.00 -1.16 0.00 0.00 179.01 177.38 2crb h ALA 34 N 1.29 0.64 0.00 3.43 0.00 0.20 -3.30 119.26 121.52 2crb h ALA 34 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2crb h ALA 34 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2crb h ALA 34 CO -0.03 0.68 -0.06 0.82 0.00 0.00 0.00 179.25 180.66 2crb h ILE 35 N 0.52 0.00 -0.65 0.00 2.04 -0.52 -2.75 117.51 116.14 2crb h ILE 35 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2crb h ILE 35 Cb 1.08 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 2crb h ILE 35 CO 0.11 0.00 -0.38 -1.54 0.00 0.00 0.00 178.15 176.33 2crb n SER 36 N -2.82 -0.69 -0.29 1.72 3.41 -1.18 0.68 113.62 114.45 2crb n SER 36 Ca -0.01 1.39 0.15 0.00 -0.26 0.00 0.00 58.87 60.14 2crb n SER 36 Cb 0.04 -0.26 0.29 0.00 -0.26 0.00 0.00 64.21 64.02 2crb n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2crb h HIS 38 N 0.00 0.30 -0.95 0.00 -0.00 0.54 -2.30 115.15 112.74 2crb h HIS 38 Ca 0.55 -0.06 0.05 0.00 -0.00 0.00 0.00 60.37 60.91 2crb h HIS 38 Cb 1.19 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 28.47 2crb h HIS 38 CO -0.37 0.53 0.62 0.00 -0.00 0.00 0.00 177.93 178.72 2crb h ARG 39 N -0.02 1.11 -0.54 2.45 3.08 0.19 0.30 114.38 120.95 2crb h ARG 39 Ca 0.04 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2crb h ARG 39 Cb 0.43 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2crb h ARG 39 CO 0.01 0.73 -0.02 0.87 -1.07 0.00 0.00 179.97 180.50 2crb h LYS 40 N 1.14 0.94 0.24 0.04 1.57 -0.51 -2.50 116.57 117.49 2crb h LYS 40 Ca 0.39 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2crb h LYS 40 Cb 0.10 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2crb h LYS 40 CO -0.14 0.94 -0.12 0.00 -0.57 0.00 0.00 179.45 179.56 2crb h ALA 41 N 1.11 -0.33 -1.01 3.86 0.00 -0.73 -2.86 119.26 119.31 2crb h ALA 41 Ca 0.16 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.11 2crb h ALA 41 Cb 0.53 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2crb h ALA 41 CO 0.03 -0.44 0.64 1.79 0.00 0.00 0.00 179.25 181.28 2crb h THR 42 N -0.82 0.58 0.12 0.00 1.35 -0.99 0.20 112.91 113.34 2crb h THR 42 Ca -0.03 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 2crb h THR 42 Cb 0.51 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 2crb h THR 42 CO 0.05 0.08 -0.06 0.74 -0.25 0.00 0.00 175.52 176.09 2crb h THR 43 N 0.46 1.02 -0.15 6.82 2.02 -1.43 -0.29 112.91 121.36 2crb h THR 43 Ca 0.57 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2crb h THR 43 Cb 1.34 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 2crb h THR 43 CO -0.30 0.13 0.05 0.22 0.37 0.00 0.00 175.52 176.00 2crb h TYR 44 N -0.41 0.23 -0.76 3.16 3.20 -0.94 -2.45 116.97 119.01 2crb h TYR 44 Ca -0.02 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.88 2crb h TYR 44 Cb 0.33 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2crb h TYR 44 CO 0.01 0.32 0.47 -0.07 -1.64 0.00 0.00 178.16 177.25 2crb h LEU 45 N 0.08 0.75 -0.87 2.82 3.38 -0.69 0.76 115.31 121.53 2crb h LEU 45 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2crb h LEU 45 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2crb h LEU 45 CO -0.00 0.51 0.00 -1.54 0.09 0.00 0.00 178.44 177.49 2crb n SER 46 N -4.65 0.63 -0.03 -0.43 3.41 -0.12 -2.06 113.62 110.36 2crb n SER 46 Ca 0.09 0.69 -0.05 0.00 -0.26 0.00 0.00 58.87 59.34 2crb n SER 46 Cb 0.12 -0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 63.13 2crb n SER 46 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2crb n GLU 47 N -2.23 0.65 -0.04 4.33 1.02 0.11 -4.14 120.64 120.33 2crb n GLU 47 Ca 0.01 0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 2crb n GLU 47 Cb 0.18 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 29.89 2crb n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crb h ALA 48 N 1.19 0.20 0.35 0.62 0.00 -0.55 -2.40 119.26 118.67 2crb h ALA 48 Ca -0.32 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2crb h ALA 48 Cb 1.90 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 2crb h ALA 48 CO 0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 179.25 178.60 2crb h MET 49 N 0.10 -0.63 0.00 0.00 -0.00 -1.75 0.26 114.93 112.91 2crb h MET 49 Ca 0.10 0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 2crb h MET 49 Cb 0.10 0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 2crb h MET 49 CO -0.14 -0.42 0.22 1.63 -0.00 0.00 0.00 176.91 178.20 2crb n LYS 50 N -5.42 0.10 -0.06 -0.10 5.02 -1.13 -2.46 118.16 114.12 2crb n LYS 50 Ca -0.10 0.58 -0.05 0.00 -2.02 0.00 0.00 58.31 56.72 2crb n LYS 50 Cb 0.32 -2.05 -0.02 0.00 -0.02 0.00 0.00 35.03 33.26 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 -2.09 1.41 -4.52 -0.35 7.94 -0.25 -4.97 117.00 114.18 2crb n LEU 51 Ca -0.01 0.36 -0.47 0.00 -1.11 0.00 0.00 56.01 54.78 2crb n LEU 51 Cb 0.25 -0.72 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 2crb n LEU 51 CO 0.07 -0.39 0.38 1.07 -1.11 0.00 0.00 177.39 177.41 2crb n THR 52 N -3.98 1.81 -0.77 1.96 5.66 0.76 -4.86 114.28 114.85 2crb n THR 52 Ca -0.09 -0.45 0.08 0.00 -3.05 0.00 0.00 64.05 60.55 2crb n THR 52 Cb 0.32 -0.59 0.39 0.00 -1.55 0.00 0.00 70.33 68.90 2crb n THR 52 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2crb n GLU 53 N 0.97 4.37 -4.19 1.09 2.13 -1.26 -4.90 120.64 118.84 2crb n GLU 53 Ca 0.14 -3.05 -0.23 0.00 0.66 0.00 0.00 57.16 54.68 2crb n GLU 53 Cb 0.28 -2.10 -0.06 0.00 0.27 0.00 0.00 31.44 29.83 2crb n GLU 53 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2crb s SER 54 N -0.84 4.81 -0.12 4.31 0.15 -1.26 -5.08 113.70 115.68 2crb s SER 54 Ca 0.54 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 2crb s SER 54 Cb 0.38 -0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 63.73 2crb s SER 54 CO 0.21 -0.09 -0.09 -0.08 1.20 0.00 0.00 173.24 174.38 2crb h GLU 55 N 1.70 0.00 -0.63 5.44 4.81 -2.00 -3.29 114.58 120.61 2crb h GLU 55 Ca -0.45 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 58.91 2crb h GLU 55 Cb 1.25 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.51 2crb h GLU 55 CO 0.61 0.00 -0.16 1.96 -0.73 0.00 0.00 179.01 180.69 2crb h GLN 56 N -0.96 -0.00 -0.75 1.92 4.20 -1.98 0.94 115.11 118.47 2crb h GLN 56 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2crb h GLN 56 Cb 0.27 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.96 2crb h GLN 56 CO 0.00 -0.00 0.31 0.00 -0.67 0.00 0.00 178.83 178.46 2crb h ALA 57 N 1.62 1.05 0.00 3.87 0.00 -1.88 0.29 119.26 124.22 2crb h ALA 57 Ca 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2crb h ALA 57 Cb 0.47 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2crb h ALA 57 CO -0.66 -0.19 -0.02 1.25 0.00 0.00 0.00 179.25 179.63 2crb h HIS 58 N 0.46 0.00 0.06 0.00 -0.00 -0.89 -2.73 115.15 112.04 2crb h HIS 58 Ca 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.77 2crb h HIS 58 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 2crb h HIS 58 CO -0.16 0.02 -0.03 -0.07 -0.00 0.00 0.00 177.93 177.70 2crb h LEU 59 N 0.00 -0.06 -1.56 0.26 3.38 0.02 -2.20 115.31 115.15 2crb h LEU 59 Ca -0.00 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.40 2crb h LEU 59 Cb 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2crb h LEU 59 CO 0.00 0.60 0.49 -1.28 0.09 0.00 0.00 178.44 178.35 2crb h SER 60 N -0.80 0.00 0.00 -0.43 0.87 -1.07 -0.67 113.55 111.45 2crb h SER 60 Ca -0.01 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.33 2crb h SER 60 Cb 0.64 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 2crb h SER 60 CO 0.01 0.00 -1.29 0.18 -0.53 0.00 0.00 176.83 175.20 2crb n LEU 61 N -2.85 1.86 0.18 2.23 4.77 -1.16 -2.81 117.00 119.22 2crb n LEU 61 Ca -0.01 0.44 0.19 0.00 -0.03 0.00 0.00 56.01 56.60 2crb n LEU 61 Cb 0.54 -0.93 0.79 0.00 -2.33 0.00 0.00 43.42 41.49 2crb n LEU 61 CO 0.11 0.18 1.16 1.05 -1.33 0.00 0.00 177.39 178.57 2crb h GLU 62 N -1.00 0.00 0.00 3.23 4.11 -0.51 0.22 114.58 120.62 2crb h GLU 62 Ca -0.33 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.98 2crb h GLU 62 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2crb h GLU 62 CO -0.20 0.00 -0.82 -0.07 0.07 0.00 0.00 179.01 177.99 2crb h LEU 63 N 0.00 0.00 -0.88 3.06 3.38 -1.39 -3.32 115.31 116.16 2crb h LEU 63 Ca 0.12 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.82 2crb h LEU 63 Cb 0.84 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 2crb h LEU 63 CO -0.00 1.14 0.54 -0.61 0.09 0.00 0.00 178.44 179.60 2crb h GLN 64 N -1.00 0.92 -0.56 1.13 5.75 -1.25 -2.02 115.11 118.08 2crb h GLN 64 Ca -0.18 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.34 2crb h GLN 64 Cb 0.93 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 29.21 2crb h GLN 64 CO -0.11 0.61 0.22 -0.09 -2.65 0.00 0.00 178.83 176.81 2crb h ARG 65 N 0.95 0.40 -0.54 1.69 2.43 -0.77 -2.89 114.38 115.66 2crb h ARG 65 Ca 0.40 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 2crb h ARG 65 Cb 0.25 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2crb h ARG 65 CO -0.20 0.27 -0.32 -3.47 -1.51 0.00 0.00 179.97 174.74 2crb n ASP 66 N -4.97 -0.57 0.26 -3.80 2.03 -0.76 -1.02 116.55 107.72 2crb n ASP 66 Ca 0.07 1.22 -0.17 0.00 0.52 0.00 0.00 54.79 56.43 2crb n ASP 66 Cb 0.22 -0.26 -0.09 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.18 -1.38 1.67 4.64 -1.62 0.19 113.55 115.87 2crb h SER 67 Ca 0.09 0.10 0.40 0.00 -0.47 0.00 0.00 61.79 61.90 2crb h SER 67 Cb 0.22 0.39 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 2crb h SER 67 CO -0.50 -0.59 1.23 1.41 -0.87 0.00 0.00 176.83 177.51 2crb n HIS 68 N -5.52 0.00 -0.09 4.77 8.25 -0.19 0.17 115.22 122.62 2crb n HIS 68 Ca -0.11 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.18 2crb n HIS 68 Cb 0.42 -0.34 -0.13 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.42 0.68 -0.04 -0.41 2.00 -0.47 -3.98 117.12 111.48 2crb n MET 69 Ca 0.31 0.16 0.12 0.00 0.00 0.00 0.00 57.70 58.29 2crb n MET 69 Cb 1.64 -1.58 0.52 0.00 0.00 0.00 0.00 33.22 33.80 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 0.02 0.35 -0.00 0.03 2.10 0.47 -0.48 116.57 119.06 2crb h LYS 70 Ca -0.52 -0.02 -0.19 0.00 -2.00 0.00 0.00 60.65 57.92 2crb h LYS 70 Cb 1.99 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 33.23 2crb h LYS 70 CO -0.02 0.23 -0.86 1.96 -2.00 0.00 0.00 179.45 178.77 2crb h GLN 71 N 0.36 0.18 -0.21 0.07 1.08 -1.29 -2.72 115.11 112.59 2crb h GLN 71 Ca 0.24 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2crb h GLN 71 Cb 0.49 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2crb h GLN 71 CO -0.06 0.93 0.06 1.25 -0.95 0.00 0.00 178.83 180.06 2crb h LEU 72 N 0.10 0.30 -1.16 1.46 5.85 -1.23 0.30 115.31 120.93 2crb h LEU 72 Ca -0.04 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 2crb h LEU 72 Cb 1.48 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 2crb h LEU 72 CO 0.13 0.44 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.18 2crb h LEU 73 N 0.15 0.00 0.08 2.25 3.38 -1.48 -0.89 115.31 118.81 2crb h LEU 73 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 2crb h LEU 73 Cb 0.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.02 2crb h LEU 73 CO -0.00 0.41 -1.05 -0.07 0.09 0.00 0.00 178.44 177.83 2crb h LEU 74 N 0.00 0.78 -0.16 1.67 3.38 -1.22 -3.12 115.31 116.64 2crb h LEU 74 Ca -0.00 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 57.11 2crb h LEU 74 Cb 0.75 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2crb h LEU 74 CO 0.05 1.51 -0.10 0.40 0.09 0.00 0.00 178.44 180.40 2crb h ILE 75 N 0.16 1.32 -0.24 1.22 2.04 -0.30 -1.83 117.51 119.87 2crb h ILE 75 Ca -0.15 -1.17 0.06 0.00 1.00 0.00 0.00 64.86 64.60 2crb h ILE 75 Cb 1.74 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.49 2crb h ILE 75 CO 0.20 0.35 -0.22 1.56 0.00 0.00 0.00 178.15 180.04 2crb h GLN 76 N 0.02 -0.22 -0.65 2.37 4.20 -1.27 0.30 115.11 119.86 2crb h GLN 76 Ca 0.03 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2crb h GLN 76 Cb 0.58 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 2crb h GLN 76 CO 0.03 -0.14 0.20 1.05 -0.67 0.00 0.00 178.83 179.29 2crb h GLU 77 N -0.22 0.99 0.00 1.46 4.11 -1.57 -1.64 114.58 117.71 2crb h GLU 77 Ca 0.14 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2crb h GLU 77 Cb 0.43 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2crb h GLU 77 CO -0.37 0.85 0.00 0.00 0.07 0.00 0.00 179.01 179.56 2crb h ARG 78 N 0.96 0.00 0.00 1.06 2.47 -0.36 -3.04 114.38 115.46 2crb h ARG 78 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 2crb h ARG 78 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2crb h ARG 78 CO -0.01 0.00 -0.11 2.35 0.56 0.00 0.00 179.97 182.76 2crb h TRP 79 N 0.00 0.00 -0.90 3.04 7.01 -0.04 -2.55 115.95 122.51 2crb h TRP 79 Ca 0.00 0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.26 2crb h TRP 79 Cb 0.29 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 2crb h TRP 79 CO 0.00 0.00 1.12 1.57 -2.79 0.00 0.00 178.44 178.34 2crb h LYS 80 N -0.49 0.00 0.09 2.65 2.10 -1.46 0.97 116.57 120.43 2crb h LYS 80 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2crb h LYS 80 Cb 0.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 2crb h LYS 80 CO 0.00 0.00 -1.79 0.54 -2.00 0.00 0.00 179.45 176.20 2crb n ARG 81 N -3.24 0.71 0.30 0.07 1.74 -1.15 -4.04 116.66 111.04 2crb n ARG 81 Ca 0.20 0.35 0.17 0.00 -0.77 0.00 0.00 57.85 57.80 2crb n ARG 81 Cb 1.40 -1.72 0.93 0.00 -1.02 0.00 0.00 32.46 32.05 2crb n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2crb h ALA 82 N -0.09 1.23 -0.38 7.54 0.00 0.13 -2.15 119.26 125.55 2crb h ALA 82 Ca -0.40 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2crb h ALA 82 Cb 1.83 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 2crb h ALA 82 CO 0.00 0.05 -0.04 0.87 0.00 0.00 0.00 179.25 180.13 2crb h LYS 83 N 0.00 0.05 0.08 0.00 1.79 -1.15 0.14 116.57 117.48 2crb h LYS 83 Ca -0.00 -0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 2crb h LYS 83 Cb 0.16 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2crb h LYS 83 CO 0.00 0.04 -1.15 0.07 -1.08 0.00 0.00 179.45 177.33 2crb h ARG 84 N 0.06 0.16 -1.00 3.15 0.11 -1.72 -2.60 114.38 112.55 2crb h ARG 84 Ca 0.18 -0.27 0.23 0.00 0.10 0.00 0.00 59.98 60.22 2crb h ARG 84 Cb 0.27 0.10 -0.09 0.00 1.11 0.00 0.00 29.97 31.36 2crb h ARG 84 CO -0.35 1.13 0.63 0.93 0.10 0.00 0.00 179.97 182.42 2crb h GLU 85 N -0.55 0.51 0.06 0.08 4.39 -1.33 0.28 114.58 118.03 2crb h GLU 85 Ca -0.26 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.25 2crb h GLU 85 Cb 1.55 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2crb h GLU 85 CO -0.00 0.34 -0.77 1.49 -1.16 0.00 0.00 179.01 178.91 2crb h GLU 86 N 0.53 0.14 -0.32 2.33 4.81 -0.85 -3.13 114.58 118.09 2crb h GLU 86 Ca 0.57 -0.23 0.09 0.00 -0.13 0.00 0.00 59.36 59.66 2crb h GLU 86 Cb 1.22 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2crb h GLU 86 CO -0.31 1.11 0.25 0.00 -0.73 0.00 0.00 179.01 179.33 2crb h ARG 87 N -0.67 0.00 0.12 1.92 2.47 -0.94 -1.81 114.38 115.47 2crb h ARG 87 Ca -0.17 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2crb h ARG 87 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 2crb h ARG 87 CO 0.02 0.00 -0.06 -0.07 0.56 0.00 0.00 179.97 180.42 2crb h LEU 88 N 0.00 -0.14 -1.22 3.04 -0.00 -0.57 -3.24 115.31 113.18 2crb h LEU 88 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2crb h LEU 88 Cb 0.64 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2crb h LEU 88 CO -0.00 0.07 0.53 0.07 -0.00 0.00 0.00 178.44 179.11 2crb h LYS 89 N -0.49 0.00 -6.86 1.13 2.10 -1.46 -3.42 116.57 107.57 2crb h LYS 89 Ca -0.02 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.08 2crb h LYS 89 Cb 0.12 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 31.57 2crb h LYS 89 CO 0.03 0.00 0.57 0.00 -2.00 0.00 0.00 179.45 178.05 2crb n ALA 90 N -1.71 1.59 -4.20 0.07 0.00 -0.70 -2.33 120.51 113.23 2crb n ALA 90 Ca -0.01 0.29 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 2crb n ALA 90 Cb 0.56 -2.31 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 2crb n ALA 90 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2crb n HIS 91 N -0.02 -1.11 -3.72 0.00 -0.00 -1.26 -4.90 115.22 104.20 2crb n HIS 91 Ca 0.05 0.58 -0.12 0.00 -0.00 0.00 0.00 57.72 58.24 2crb n HIS 91 Cb 0.39 -2.24 -0.11 0.00 -0.00 0.00 0.00 29.99 28.03 2crb n HIS 91 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2crb s SER 92 N -3.82 -0.43 0.10 0.26 0.15 -0.99 -5.13 113.70 103.85 2crb s SER 92 Ca 0.28 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2crb s SER 92 Cb -0.16 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2crb s SER 92 CO 0.92 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.81 2crb n GLY 93 N 3.74 -1.52 0.00 9.45 0.00 -1.26 -4.01 105.19 111.59 2crb n GLY 93 Ca -0.20 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.06 0.49 -1.94 1.61 -0.04 -1.26 -4.74 135.00 127.06 2crb n PRO 94 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2crb n PRO 94 Cb 0.20 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.93 5.81 1.14 3.54 0.01 -1.26 -4.97 113.70 116.04 2crb s SER 95 Ca 0.20 1.37 -0.13 0.00 1.31 0.00 0.00 55.95 58.69 2crb s SER 95 Cb 0.09 -2.52 0.27 0.00 0.21 0.00 0.00 66.02 64.06 2crb s SER 95 CO 0.16 -1.77 1.04 -0.55 0.41 0.00 0.00 173.24 172.53 2crb s SER 96 N 6.48 1.29 0.00 2.44 0.15 -1.26 -4.72 113.70 118.08 2crb s SER 96 Ca 0.83 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2crb s SER 96 Cb -0.24 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2crb s SER 96 CO 0.34 -3.98 0.00 0.61 1.20 0.00 0.00 173.24 171.41