#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o n LYS 2 N 0.00 -2.83 -0.07 0.00 4.81 -1.26 -4.35 118.16 114.46 3i1o n LYS 2 Ca 0.00 2.37 0.12 0.00 -0.87 0.00 0.00 58.31 59.93 3i1o n LYS 2 Cb 0.00 -5.05 0.52 0.00 0.02 0.00 0.00 35.03 30.52 3i1o n LYS 2 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3i1o h GLN 3 N 2.68 0.36 -0.54 1.64 7.50 -1.96 0.32 115.11 125.11 3i1o h GLN 3 Ca -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 3i1o h GLN 3 Cb 0.49 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.91 3i1o h GLN 3 CO 0.13 0.24 0.33 0.66 -1.50 0.00 0.00 178.83 178.70 3i1o h SER 4 N 0.37 0.63 -0.02 1.46 4.64 -1.99 0.19 113.55 118.83 3i1o h SER 4 Ca 0.27 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 3i1o h SER 4 Cb 0.56 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3i1o h SER 4 CO -0.07 0.48 -0.27 0.24 -0.87 0.00 0.00 176.83 176.34 3i1o h MET 5 N 0.73 0.22 -0.21 4.77 2.86 -0.69 -2.90 114.93 119.71 3i1o h MET 5 Ca 0.20 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 3i1o h MET 5 Cb -0.05 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3i1o h MET 5 CO -0.04 0.90 0.18 -0.22 1.06 0.00 0.00 176.91 178.80 3i1o h LYS 6 N -0.39 0.00 0.92 1.72 3.64 -1.01 -2.19 116.57 119.26 3i1o h LYS 6 Ca -0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3i1o h LYS 6 Cb 0.98 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3i1o h LYS 6 CO 0.05 0.00 -0.44 0.00 -2.27 0.00 0.00 179.45 176.79 3i1o h ALA 7 N 1.83 -1.26 -0.89 5.00 0.00 -0.48 -1.74 119.26 121.71 3i1o h ALA 7 Ca 0.10 -0.27 0.25 0.00 0.00 0.00 0.00 54.91 54.99 3i1o h ALA 7 Cb 0.47 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3i1o h ALA 7 CO -0.00 -1.17 0.63 -0.09 0.00 0.00 0.00 179.25 178.62 3i1o h ARG 8 N -1.30 0.06 0.00 0.00 2.43 -1.21 0.57 114.38 114.94 3i1o h ARG 8 Ca -0.13 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 3i1o h ARG 8 Cb 0.94 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3i1o h ARG 8 CO 0.21 0.04 -0.64 0.93 -1.51 0.00 0.00 179.97 178.99 3i1o h GLU 9 N 0.06 0.00 -0.41 0.20 5.08 -1.26 -3.20 114.58 115.06 3i1o h GLU 9 Ca 0.43 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 3i1o h GLU 9 Cb 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3i1o h GLU 9 CO -0.04 0.42 -0.05 0.28 -1.00 0.00 0.00 179.01 178.62 3i1o h VAL 10 N 0.00 1.27 0.00 3.13 2.07 0.04 -2.40 116.25 120.36 3i1o h VAL 10 Ca -0.03 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3i1o h VAL 10 Cb 1.38 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3i1o h VAL 10 CO 0.06 0.38 -0.06 0.50 0.02 0.00 0.00 177.57 178.46 3i1o h LYS 11 N 0.59 0.00 -0.07 1.57 3.64 -1.60 -2.24 116.57 118.45 3i1o h LYS 11 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3i1o h LYS 11 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3i1o h LYS 11 CO 0.03 0.06 -0.02 0.00 -2.27 0.00 0.00 179.45 177.26 3i1o h ARG 12 N 0.00 0.14 0.00 1.90 3.08 -1.42 -2.09 114.38 115.99 3i1o h ARG 12 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i1o h ARG 12 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3i1o h ARG 12 CO 0.01 0.46 0.00 0.28 -1.07 0.00 0.00 179.97 179.65 3i1o h VAL 13 N -0.19 0.00 -0.03 2.04 2.07 -1.50 -3.02 116.25 115.61 3i1o h VAL 13 Ca 0.02 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3i1o h VAL 13 Cb 0.41 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3i1o h VAL 13 CO 0.01 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.36 3i1o h ALA 14 N 2.00 1.54 -0.45 1.67 0.00 -1.14 -1.33 119.26 121.55 3i1o h ALA 14 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3i1o h ALA 14 Cb 0.87 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3i1o h ALA 14 CO 0.00 0.34 0.06 1.28 0.00 0.00 0.00 179.25 180.94 3i1o n LEU 15 N -4.23 4.57 -2.11 0.00 4.77 -0.81 -4.15 117.00 115.05 3i1o n LEU 15 Ca -0.02 -2.34 -0.14 0.00 -0.03 0.00 0.00 56.01 53.48 3i1o n LEU 15 Cb 0.31 -0.65 0.25 0.00 -2.33 0.00 0.00 43.42 41.00 3i1o n LEU 15 CO 0.38 0.57 1.15 0.00 -1.33 0.00 0.00 177.39 178.16 3i1o n ALA 16 N 0.29 5.03 0.00 -1.18 0.00 -0.50 -4.13 120.51 120.03 3i1o n ALA 16 Ca 0.23 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 51.12 3i1o n ALA 16 Cb 0.99 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3i1o n ALA 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1o n ASP 17 N -0.58 -0.04 0.16 0.00 5.75 -1.26 -4.41 116.55 116.17 3i1o n ASP 17 Ca 0.49 0.01 0.09 0.00 -0.01 0.00 0.00 54.79 55.37 3i1o n ASP 17 Cb 1.51 0.44 0.50 0.00 -1.03 0.00 0.00 41.12 42.55 3i1o n ASP 17 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3i1o n LYS 18 N -2.51 0.12 0.00 0.11 5.02 -1.26 -2.26 118.16 117.38 3i1o n LYS 18 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3i1o n LYS 18 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3i1o n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i1o n TYR 19 N -2.18 0.00 -0.58 2.13 4.02 -1.26 -4.80 117.16 114.49 3i1o n TYR 19 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.85 3i1o n TYR 19 Cb 0.14 0.04 -0.00 0.00 -0.02 0.00 0.00 39.34 39.50 3i1o n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3i1o n PHE 20 N -2.68 0.24 0.00 -0.72 3.01 -1.14 -3.93 117.46 112.25 3i1o n PHE 20 Ca 0.00 -1.17 0.00 0.00 1.01 0.00 0.00 57.45 57.29 3i1o n PHE 20 Cb 0.43 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 3i1o n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1o n ALA 21 N 1.35 0.00 0.59 4.37 0.00 -0.96 -4.40 120.51 121.46 3i1o n ALA 21 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3i1o n ALA 21 Cb 0.53 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.35 3i1o n ALA 21 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1o h LYS 22 N 0.00 0.00 0.00 0.00 1.57 -1.90 -3.13 116.57 113.11 3i1o h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i1o h LYS 22 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i1o h LYS 22 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 3i1o n ARG 23 N -2.34 0.13 0.05 3.15 1.74 -1.26 0.67 116.66 118.80 3i1o n ARG 23 Ca 0.05 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 3i1o n ARG 23 Cb 0.44 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.87 3i1o n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1o n ALA 24 N -1.43 2.13 -0.91 7.54 0.00 -1.18 -3.77 120.51 122.87 3i1o n ALA 24 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1o n ALA 24 Cb 0.29 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3i1o n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i1o n GLU 25 N -1.82 -0.09 0.11 0.00 -0.00 -0.94 -4.70 120.64 113.21 3i1o n GLU 25 Ca 0.05 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.16 57.04 3i1o n GLU 25 Cb 0.33 -0.54 -0.08 0.00 -0.00 0.00 0.00 31.44 31.14 3i1o n GLU 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3i1o h LEU 26 N 0.00 -0.25 -0.06 -1.84 6.46 0.15 -2.76 115.31 117.01 3i1o h LEU 26 Ca 0.00 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 3i1o h LEU 26 Cb 0.46 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 3i1o h LEU 26 CO 0.00 0.14 0.00 2.29 -0.62 0.00 0.00 178.44 180.25 3i1o n LYS 27 N -5.05 0.03 0.03 1.25 -0.00 -1.26 -3.61 118.16 109.55 3i1o n LYS 27 Ca -0.09 0.18 -0.13 0.00 -0.00 0.00 0.00 58.31 58.27 3i1o n LYS 27 Cb 0.25 -1.54 -0.09 0.00 -0.00 0.00 0.00 35.03 33.65 3i1o n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1o h ALA 28 N 2.64 -0.06 0.00 0.58 0.00 -1.77 -0.38 119.26 120.27 3i1o h ALA 28 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i1o h ALA 28 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i1o h ALA 28 CO 0.00 -0.39 0.00 0.82 0.00 0.00 0.00 179.25 179.68 3i1o h ILE 29 N -0.36 0.00 -0.52 0.00 2.04 -1.60 0.46 117.51 117.53 3i1o h ILE 29 Ca -0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3i1o h ILE 29 Cb 0.33 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3i1o h ILE 29 CO 0.01 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.78 3i1o n ILE 30 N -2.51 2.30 0.00 -0.67 2.08 -0.80 -3.85 119.36 115.92 3i1o n ILE 30 Ca -0.00 -1.43 0.00 0.00 0.56 0.00 0.00 62.75 61.88 3i1o n ILE 30 Cb 0.13 -0.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 3i1o n ILE 30 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3i1o n SER 31 N 0.53 2.03 -4.97 4.38 7.64 0.14 -2.55 113.62 120.81 3i1o n SER 31 Ca 0.25 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.94 3i1o n SER 31 Cb 1.01 0.37 0.04 0.00 -1.01 0.00 0.00 64.21 64.62 3i1o n SER 31 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3i1o s ASP 32 N -0.97 5.27 -1.04 6.43 3.84 0.24 -4.93 116.67 125.51 3i1o s ASP 32 Ca 0.00 -0.46 -0.23 0.00 -0.00 0.00 0.00 52.55 51.86 3i1o s ASP 32 Cb 0.00 -0.35 -0.04 0.00 -1.38 0.00 0.00 42.92 41.15 3i1o s ASP 32 CO 0.00 -1.13 1.88 -0.69 -0.00 0.00 0.00 175.17 175.23 3i1o s VAL 33 N -2.61 3.57 0.00 2.11 1.01 -1.26 -4.16 120.40 119.06 3i1o s VAL 33 Ca 0.59 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3i1o s VAL 33 Cb -0.08 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3i1o s VAL 33 CO 0.37 -1.13 0.00 -3.20 0.00 0.00 0.00 175.10 171.14 3i1o n ASN 34 N 13.23 0.00 0.00 3.32 5.15 -1.26 -5.19 115.26 130.51 3i1o n ASN 34 Ca 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 3i1o n ASN 34 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 3i1o n ASN 34 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3i1o n ARG 40 N -1.00 0.00 -3.59 1.20 1.74 -1.25 -5.14 116.66 108.62 3i1o n ARG 40 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 3i1o n ARG 40 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3i1o n ARG 40 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3i1o s TRP 41 N -2.00 -0.78 0.00 -1.55 -0.00 -1.06 -4.94 118.94 108.61 3i1o s TRP 41 Ca 0.00 1.49 -0.01 0.00 -0.00 0.00 0.00 56.10 57.58 3i1o s TRP 41 Cb 0.00 0.47 -0.01 0.00 -0.00 0.00 0.00 33.47 33.93 3i1o s TRP 41 CO 0.00 -0.39 1.02 -0.97 -0.00 0.00 0.00 176.95 176.61 3i1o h ASN 42 N 6.77 -0.05 0.00 5.86 -1.24 -1.99 -2.68 115.58 122.26 3i1o h ASN 42 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.77 3i1o h ASN 42 Cb 1.17 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.24 3i1o h ASN 42 CO 0.15 -0.02 0.03 0.00 -1.29 0.00 0.00 177.43 176.31 3i1o n ALA 43 N -2.35 1.02 -0.09 1.57 0.00 -1.26 -2.38 120.51 117.01 3i1o n ALA 43 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3i1o n ALA 43 Cb 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 3i1o n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1o h VAL 44 N 0.00 1.14 0.00 0.00 2.07 -1.88 -3.38 116.25 114.19 3i1o h VAL 44 Ca 0.00 -2.22 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 3i1o h VAL 44 Cb 0.07 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3i1o h VAL 44 CO 0.00 0.39 -0.04 0.18 0.02 0.00 0.00 177.57 178.12 3i1o n LEU 45 N -4.47 4.64 -0.00 2.57 4.77 -1.00 -2.89 117.00 120.61 3i1o n LEU 45 Ca -0.26 -2.19 -0.00 0.00 -0.03 0.00 0.00 56.01 53.52 3i1o n LEU 45 Cb 0.63 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 3i1o n LEU 45 CO 0.23 0.95 -0.53 0.29 -1.33 0.00 0.00 177.39 177.00 3i1o n LYS 46 N 1.70 3.50 0.19 3.23 4.76 -1.26 -4.64 118.16 125.63 3i1o n LYS 46 Ca 0.05 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.52 3i1o n LYS 46 Cb 0.48 -1.02 0.37 0.00 -1.84 0.00 0.00 35.03 33.02 3i1o n LYS 46 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3i1o h LEU 47 N 0.00 0.00 -1.83 -0.35 5.85 -1.80 -3.04 115.31 114.15 3i1o h LEU 47 Ca -0.02 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.98 3i1o h LEU 47 Cb 1.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3i1o h LEU 47 CO 0.00 0.38 0.82 -0.61 -0.34 0.00 0.00 178.44 178.69 3i1o h GLN 48 N 0.00 0.00 -3.23 1.25 5.75 -1.82 -2.36 115.11 114.70 3i1o h GLN 48 Ca -0.00 0.00 -0.71 0.00 -0.15 0.00 0.00 58.65 57.78 3i1o h GLN 48 Cb 0.70 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.20 3i1o h GLN 48 CO 0.05 0.00 3.04 2.41 -2.65 0.00 0.00 178.83 181.68 3i1o n THR 49 N -3.87 4.35 -0.10 2.39 -1.04 -1.15 -4.58 114.28 110.27 3i1o n THR 49 Ca 0.20 -3.41 -0.20 0.00 -2.04 0.00 0.00 64.05 58.61 3i1o n THR 49 Cb 1.14 -2.44 -0.09 0.00 -1.82 0.00 0.00 70.33 67.12 3i1o n THR 49 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i1o n LEU 50 N 3.77 1.87 0.00 -4.42 4.77 -0.89 -5.02 117.00 117.08 3i1o n LEU 50 Ca 0.62 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 3i1o n LEU 50 Cb 0.29 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 3i1o n LEU 50 CO 0.82 0.18 0.00 -0.81 -1.33 0.00 0.00 177.39 176.25 3i1o n PRO 51 N -4.43 3.13 -2.69 3.23 -0.04 -1.26 -5.09 135.00 127.84 3i1o n PRO 51 Ca -0.31 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.09 3i1o n PRO 51 Cb 0.64 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.19 3i1o n PRO 51 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3i1o n ARG 52 N 0.00 0.99 -0.14 0.54 3.00 -1.26 -4.94 116.66 114.86 3i1o n ARG 52 Ca 0.00 -1.60 -0.00 0.00 -0.00 0.00 0.00 57.85 56.25 3i1o n ARG 52 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 32.46 32.41 3i1o n ARG 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i1o n ASP 53 N -0.56 -0.02 -4.02 6.15 8.00 -1.26 -5.12 116.55 119.73 3i1o n ASP 53 Ca -0.08 -0.11 -0.31 0.00 0.71 0.00 0.00 54.79 55.00 3i1o n ASP 53 Cb 0.81 0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.76 3i1o n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i1o s SER 54 N -0.02 4.24 -0.30 -2.24 1.04 -1.26 -4.30 113.70 110.86 3i1o s SER 54 Ca 0.00 -1.36 -0.18 0.00 0.48 0.00 0.00 55.95 54.89 3i1o s SER 54 Cb 0.00 -1.41 0.19 0.00 0.10 0.00 0.00 66.02 64.90 3i1o s SER 54 CO 0.00 -0.22 1.22 -0.55 0.98 0.00 0.00 173.24 174.66 3i1o s SER 55 N 1.20 -0.17 0.00 7.02 0.15 -1.26 -5.00 113.70 115.64 3i1o s SER 55 Ca -0.06 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.83 3i1o s SER 55 Cb -0.19 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 3i1o s SER 55 CO -0.06 -0.04 0.09 -0.81 1.20 0.00 0.00 173.24 173.63 3i1o n PRO 56 N 4.11 0.10 0.00 5.44 -0.04 -1.26 -1.64 135.00 141.71 3i1o n PRO 56 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3i1o n PRO 56 Cb 0.55 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3i1o n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i1o n SER 57 N 0.84 0.32 -0.73 3.54 7.64 -1.26 -4.80 113.62 119.17 3i1o n SER 57 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i1o n SER 57 Cb 0.05 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 3i1o n SER 57 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i1o n ARG 58 N -1.75 1.24 -2.01 1.43 1.85 -0.65 -4.75 116.66 112.02 3i1o n ARG 58 Ca 0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 57.85 56.61 3i1o n ARG 58 Cb 0.05 -1.43 -0.00 0.00 -1.05 0.00 0.00 32.46 30.03 3i1o n ARG 58 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3i1o n GLN 59 N 0.14 1.94 0.00 2.89 6.02 -1.22 -4.92 117.38 122.23 3i1o n GLN 59 Ca 0.03 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3i1o n GLN 59 Cb 0.39 0.02 0.00 0.00 1.02 0.00 0.00 30.24 31.67 3i1o n GLN 59 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3i1o n ARG 60 N -0.06 0.00 0.09 -1.09 0.63 -1.26 -5.09 116.66 109.88 3i1o n ARG 60 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i1o n ARG 60 Cb 0.01 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.92 3i1o n ARG 60 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3i1o n ASN 61 N 0.00 0.47 -1.12 6.15 0.23 -1.26 -5.07 115.26 114.66 3i1o n ASN 61 Ca 0.00 0.30 0.14 0.00 -0.53 0.00 0.00 54.58 54.49 3i1o n ASN 61 Cb 0.00 0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.66 3i1o n ASN 61 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i1o n ARG 62 N -3.46 -2.50 -1.92 -3.83 1.74 -1.26 -4.66 116.66 100.77 3i1o n ARG 62 Ca 0.00 1.94 -0.43 0.00 -0.77 0.00 0.00 57.85 58.59 3i1o n ARG 62 Cb 0.01 -2.95 -0.03 0.00 -1.02 0.00 0.00 32.46 28.47 3i1o n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1o n ARG 64 N 7.91 0.66 -0.07 0.00 1.74 -0.91 -0.27 116.66 125.72 3i1o n ARG 64 Ca 0.21 0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.23 3i1o n ARG 64 Cb 0.45 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 3i1o n ARG 64 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i1o n GLN 65 N -1.14 1.54 0.00 5.56 -0.06 -1.26 -4.86 117.38 117.15 3i1o n GLN 65 Ca 0.18 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.16 3i1o n GLN 65 Cb 0.16 -1.37 -0.01 0.00 -4.06 0.00 0.00 30.24 24.97 3i1o n GLN 65 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3i1o n THR 66 N -2.58 0.91 0.00 1.69 -2.24 -1.19 -5.07 114.28 105.80 3i1o n THR 66 Ca -0.24 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3i1o n THR 66 Cb 0.95 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 3i1o n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1o n GLY 67 N 2.87 0.75 3.75 3.38 0.00 0.62 -4.68 105.19 111.89 3i1o n GLY 67 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3i1o n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1o s ARG 68 N 0.00 4.29 0.04 1.61 3.52 -1.26 -3.55 118.95 123.60 3i1o s ARG 68 Ca 0.00 2.28 -0.17 0.00 -0.13 0.00 0.00 55.73 57.70 3i1o s ARG 68 Cb 0.00 -3.10 -0.09 0.00 -1.56 0.00 0.00 34.95 30.21 3i1o s ARG 68 CO 0.00 -0.35 1.27 -1.00 -0.81 0.00 0.00 175.30 174.41 3i1o h PRO 69 N 4.47 -0.52 0.00 5.12 0.13 -1.95 -0.95 132.00 138.29 3i1o h PRO 69 Ca -0.47 0.04 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 3i1o h PRO 69 Cb 1.22 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 3i1o h PRO 69 CO 0.73 -0.35 -0.21 -2.39 -0.23 0.00 0.00 178.00 175.55 3i1o n HIS 70 N -3.80 0.21 -2.72 1.56 1.44 -1.26 -4.03 115.22 106.62 3i1o n HIS 70 Ca -0.07 -1.17 -0.09 0.00 -2.01 0.00 0.00 57.72 54.39 3i1o n HIS 70 Cb 0.23 -0.05 0.04 0.00 0.12 0.00 0.00 29.99 30.34 3i1o n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i1o n GLY 71 N 1.36 -0.63 3.27 -1.39 0.00 -1.26 -4.93 105.19 101.61 3i1o n GLY 71 Ca -0.05 0.33 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 3i1o n GLY 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i1o s PHE 72 N -3.23 1.54 -0.02 1.61 -0.71 -1.26 -2.93 117.98 112.97 3i1o s PHE 72 Ca 0.28 -1.56 0.03 0.00 -1.04 0.00 0.00 56.93 54.64 3i1o s PHE 72 Cb -0.04 -0.63 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 3i1o s PHE 72 CO 0.53 -0.82 -0.10 -0.51 -1.34 0.00 0.00 175.22 172.98 3i1o s LEU 73 N -3.30 1.84 0.37 -1.99 1.43 -1.04 -4.96 118.68 111.03 3i1o s LEU 73 Ca 0.40 -0.20 0.16 0.00 -1.03 0.00 0.00 54.13 53.45 3i1o s LEU 73 Cb 0.04 -0.57 0.73 0.00 0.03 0.00 0.00 46.19 46.41 3i1o s LEU 73 CO 0.23 0.08 1.79 0.03 0.23 0.00 0.00 176.35 178.71 3i1o h ARG 74 N 6.28 0.00 0.00 1.70 3.08 -1.96 0.32 114.38 123.80 3i1o h ARG 74 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3i1o h ARG 74 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3i1o h ARG 74 CO 0.49 0.39 0.00 1.17 -1.07 0.00 0.00 179.97 180.94 3i1o n LYS 75 N -3.85 0.14 0.00 0.04 3.00 -1.26 -3.69 118.16 112.54 3i1o n LYS 75 Ca -0.01 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 3i1o n LYS 75 Cb 0.45 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.66 3i1o n LYS 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i1o n PHE 76 N -2.09 0.00 0.00 5.64 3.01 -1.07 -5.05 117.46 117.91 3i1o n PHE 76 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3i1o n PHE 76 Cb 0.15 0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3i1o n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1o n GLY 77 N 2.74 0.72 3.54 1.37 0.00 0.11 -5.05 105.19 108.62 3i1o n GLY 77 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i1o n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1o s LEU 78 N 0.00 2.38 0.46 0.99 1.02 -1.25 -2.14 118.68 120.15 3i1o s LEU 78 Ca 0.00 -1.44 -0.10 0.00 0.02 0.00 0.00 54.13 52.61 3i1o s LEU 78 Cb 0.00 -0.54 -0.05 0.00 0.02 0.00 0.00 46.19 45.61 3i1o s LEU 78 CO 0.00 -0.63 0.83 -0.44 0.02 0.00 0.00 176.35 176.13 3i1o s SER 79 N -3.61 6.42 0.35 2.29 0.01 -1.26 -2.49 113.70 115.41 3i1o s SER 79 Ca 0.31 1.15 0.05 0.00 1.31 0.00 0.00 55.95 58.77 3i1o s SER 79 Cb 0.08 -2.34 0.72 0.00 0.21 0.00 0.00 66.02 64.69 3i1o s SER 79 CO 0.15 -0.53 1.95 0.08 0.41 0.00 0.00 173.24 175.30 3i1o h ARG 80 N 0.73 0.76 0.00 12.44 0.11 -1.89 0.64 114.38 127.17 3i1o h ARG 80 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3i1o h ARG 80 Cb 1.19 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.10 3i1o h ARG 80 CO 0.63 0.51 0.00 0.44 0.10 0.00 0.00 179.97 181.64 3i1o n ILE 81 N -4.48 0.00 0.00 0.08 -6.64 -1.26 -0.90 119.36 106.15 3i1o n ILE 81 Ca 0.11 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.09 3i1o n ILE 81 Cb 0.24 -0.70 0.00 0.00 -1.44 0.00 0.00 39.64 37.73 3i1o n ILE 81 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3i1o n LYS 82 N -0.94 4.87 -0.05 6.28 4.76 0.20 -4.31 118.16 128.98 3i1o n LYS 82 Ca 0.10 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 3i1o n LYS 82 Cb 0.05 -0.56 -0.13 0.00 -1.84 0.00 0.00 35.03 32.55 3i1o n LYS 82 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i1o h VAL 83 N 0.00 1.71 0.32 -0.18 2.07 0.11 -3.08 116.25 117.20 3i1o h VAL 83 Ca 0.00 -2.22 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 3i1o h VAL 83 Cb 0.00 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3i1o h VAL 83 CO 0.00 0.59 -0.15 -0.09 0.02 0.00 0.00 177.57 177.93 3i1o h ARG 84 N -0.83 -0.42 -0.07 1.57 2.43 -1.36 1.33 114.38 117.03 3i1o h ARG 84 Ca -0.02 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3i1o h ARG 84 Cb 1.03 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3i1o h ARG 84 CO 0.02 -0.24 0.43 1.49 -1.51 0.00 0.00 179.97 180.16 3i1o h GLU 85 N -0.48 0.00 0.00 0.20 4.81 -1.75 -0.59 114.58 116.77 3i1o h GLU 85 Ca -0.04 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.93 3i1o h GLU 85 Cb 0.36 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3i1o h GLU 85 CO 0.07 0.00 -1.96 0.00 -0.73 0.00 0.00 179.01 176.39 3i1o n ALA 86 N -1.91 1.64 0.21 2.92 0.00 -0.81 -4.52 120.51 118.03 3i1o n ALA 86 Ca -0.00 -0.74 0.05 0.00 0.00 0.00 0.00 53.44 52.75 3i1o n ALA 86 Cb 0.50 0.09 0.46 0.00 0.00 0.00 0.00 19.45 20.50 3i1o n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1o h ALA 87 N 0.07 1.48 0.00 0.00 0.00 0.26 -2.59 119.26 118.49 3i1o h ALA 87 Ca -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3i1o h ALA 87 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3i1o h ALA 87 CO -0.05 0.33 0.00 -1.33 0.00 0.00 0.00 179.25 178.20 3i1o n MET 88 N -4.11 0.86 -2.23 0.00 2.00 -0.31 -3.26 117.12 110.07 3i1o n MET 88 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.69 3i1o n MET 88 Cb 0.33 -1.17 0.04 0.00 0.00 0.00 0.00 33.22 32.42 3i1o n MET 88 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3i1o n ARG 89 N -0.67 0.96 -1.37 0.03 1.85 -1.01 -4.98 116.66 111.47 3i1o n ARG 89 Ca 0.07 -2.74 -0.13 0.00 -1.00 0.00 0.00 57.85 54.04 3i1o n ARG 89 Cb 0.03 -0.82 -0.06 0.00 -1.05 0.00 0.00 32.46 30.56 3i1o n ARG 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1o n GLY 90 N -0.16 1.25 0.17 2.89 0.00 -1.20 -4.75 105.19 103.39 3i1o n GLY 90 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3i1o n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i1o h GLU 91 N 0.00 0.00 -4.90 1.61 4.39 -1.72 -3.41 114.58 110.55 3i1o h GLU 91 Ca -0.27 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.76 3i1o h GLU 91 Cb 0.87 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.22 3i1o h GLU 91 CO 0.39 0.00 -0.70 0.42 -1.16 0.00 0.00 179.01 177.96 3i1o s ILE 92 N -3.17 3.33 0.19 3.13 1.01 -1.24 -4.95 121.20 119.49 3i1o s ILE 92 Ca 0.08 -0.79 -0.33 0.00 0.00 0.00 0.00 60.65 59.61 3i1o s ILE 92 Cb 0.08 -2.66 -0.14 0.00 0.01 0.00 0.00 42.46 39.75 3i1o s ILE 92 CO 0.65 0.22 1.46 -2.65 0.00 0.00 0.00 174.94 174.62 3i1o n PRO 93 N 4.76 1.95 0.00 2.79 -0.02 -1.26 -3.97 135.00 139.25 3i1o n PRO 93 Ca -0.16 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3i1o n PRO 93 Cb 0.48 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3i1o n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1o n GLY 94 N 2.74 0.99 0.10 -1.23 0.00 -1.26 -4.88 105.19 101.66 3i1o n GLY 94 Ca 0.15 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3i1o n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i1o n LEU 95 N 0.00 0.00 0.00 0.99 7.94 -1.25 -4.91 117.00 119.77 3i1o n LEU 95 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i1o n LEU 95 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i1o n LEU 95 CO 0.00 0.00 0.00 2.29 -1.11 0.00 0.00 177.39 178.57 3i1o n LYS 96 N 0.00 2.73 -3.58 1.96 0.00 -1.26 -4.92 118.16 113.09 3i1o n LYS 96 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 3i1o n LYS 96 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 3i1o n LYS 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i1o s LYS 97 N 2.53 3.48 0.33 -1.58 1.02 -1.26 -5.10 119.74 119.17 3i1o s LYS 97 Ca 0.00 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.59 3i1o s LYS 97 Cb 0.00 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3i1o s LYS 97 CO 0.00 0.26 0.50 0.00 -0.92 0.00 0.00 175.35 175.19 3i1o s ALA 98 N -2.15 3.94 -0.29 5.17 0.00 -1.26 -5.03 121.76 122.12 3i1o s ALA 98 Ca 0.38 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 51.25 3i1o s ALA 98 Cb -0.10 -1.88 0.32 0.00 0.00 0.00 0.00 23.12 21.46 3i1o s ALA 98 CO 0.33 -0.03 1.32 0.43 0.00 0.00 0.00 175.76 177.81 3i1o n SER 99 N -1.70 -1.29 0.00 0.00 7.64 -1.26 -5.35 113.62 111.66 3i1o n SER 99 Ca -0.03 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.82 3i1o n SER 99 Cb 0.57 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 3i1o n SER 99 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36