#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cgq h MET 1 N 0.00 0.60 -0.66 0.00 1.85 -2.03 -2.31 114.93 112.38 2cgq h MET 1 Ca 0.00 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 2cgq h MET 1 Cb 0.00 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 31.87 2cgq h MET 1 CO 0.00 0.40 0.24 0.93 -0.40 0.00 0.00 176.91 178.08 2cgq h GLU 2 N 0.62 1.00 -0.82 0.39 5.08 -1.99 -0.96 114.58 117.91 2cgq h GLU 2 Ca 0.19 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2cgq h GLU 2 Cb -0.03 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 2cgq h GLU 2 CO -0.07 0.85 0.51 0.93 -1.00 0.00 0.00 179.01 180.24 2cgq h GLU 3 N 0.94 1.10 -0.69 2.33 5.08 -1.98 -0.27 114.58 121.09 2cgq h GLU 3 Ca 0.22 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2cgq h GLU 3 Cb 0.24 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2cgq h GLU 3 CO -0.01 0.76 0.19 0.00 -1.00 0.00 0.00 179.01 178.94 2cgq h ALA 4 N 1.28 0.91 -0.56 3.43 0.00 -1.17 -0.72 119.26 122.43 2cgq h ALA 4 Ca 0.30 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2cgq h ALA 4 Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2cgq h ALA 4 CO -0.06 0.62 0.00 0.82 0.00 0.00 0.00 179.25 180.63 2cgq h ILE 5 N 1.03 1.26 -0.53 0.00 2.04 -0.74 -1.75 117.51 118.83 2cgq h ILE 5 Ca 0.22 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.97 2cgq h ILE 5 Cb 0.35 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2cgq h ILE 5 CO -0.00 0.40 0.35 0.78 0.00 0.00 0.00 178.15 179.68 2cgq h ASN 6 N 0.87 0.59 -0.85 1.72 2.35 -0.88 -0.30 115.58 119.08 2cgq h ASN 6 Ca 0.16 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2cgq h ASN 6 Cb 0.54 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 2cgq h ASN 6 CO 0.03 0.43 0.55 0.00 -1.65 0.00 0.00 177.43 176.79 2cgq h ALA 7 N 1.20 1.11 -0.26 -0.83 0.00 -0.87 0.13 119.26 119.73 2cgq h ALA 7 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2cgq h ALA 7 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2cgq h ALA 7 CO -0.05 0.41 0.02 1.15 0.00 0.00 0.00 179.25 180.78 2cgq h THR 8 N 1.08 1.24 -0.36 0.00 2.02 -0.85 0.97 112.91 117.02 2cgq h THR 8 Ca 0.33 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.73 2cgq h THR 8 Cb -0.03 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2cgq h THR 8 CO -0.10 0.27 0.01 0.40 0.37 0.00 0.00 175.52 176.47 2cgq h ILE 9 N 0.23 0.75 -0.93 3.11 2.04 -0.71 -0.82 117.51 121.18 2cgq h ILE 9 Ca 0.08 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2cgq h ILE 9 Cb 0.38 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2cgq h ILE 9 CO 0.01 0.02 0.56 1.56 0.00 0.00 0.00 178.15 180.30 2cgq h GLN 10 N 0.11 1.26 -0.08 2.37 4.20 -0.49 -1.59 115.11 120.89 2cgq h GLN 10 Ca 0.17 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2cgq h GLN 10 Cb 0.23 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2cgq h GLN 10 CO -0.28 0.88 0.04 -0.09 -0.67 0.00 0.00 178.83 178.72 2cgq h ARG 11 N 1.28 0.12 -0.72 1.46 2.43 -0.37 0.15 114.38 118.73 2cgq h ARG 11 Ca 0.33 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2cgq h ARG 11 Cb -0.05 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2cgq h ARG 11 CO -0.06 0.18 0.41 0.82 -1.51 0.00 0.00 179.97 179.81 2cgq h ILE 12 N 0.03 1.22 -0.00 1.20 2.04 -1.01 -2.61 117.51 118.37 2cgq h ILE 12 Ca 0.03 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2cgq h ILE 12 Cb 0.10 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2cgq h ILE 12 CO -0.00 0.23 -0.26 0.18 0.00 0.00 0.00 178.15 178.30 2cgq n LEU 13 N -4.49 0.46 -3.69 1.44 4.77 -0.61 -4.96 117.00 109.92 2cgq n LEU 13 Ca 0.06 0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.89 2cgq n LEU 13 Cb 0.08 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2cgq n LEU 13 CO 0.37 0.10 -0.08 0.54 -1.33 0.00 0.00 177.39 177.00 2cgq n ARG 14 N -1.23 -4.21 -4.18 3.23 1.74 0.49 -5.01 116.66 107.48 2cgq n ARG 14 Ca 0.09 0.60 -0.13 0.00 -0.77 0.00 0.00 57.85 57.64 2cgq n ARG 14 Cb 0.32 -5.05 -0.10 0.00 -1.02 0.00 0.00 32.46 26.61 2cgq n ARG 14 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2cgq s THR 15 N -3.65 0.90 -1.13 0.55 -1.32 -0.95 -5.02 115.64 105.01 2cgq s THR 15 Ca 0.08 -1.78 0.11 0.00 -1.21 0.00 0.00 61.69 58.89 2cgq s THR 15 Cb -0.02 -1.51 0.22 0.00 -1.51 0.00 0.00 72.50 69.68 2cgq s THR 15 CO 0.82 -0.68 1.09 -0.90 -2.21 0.00 0.00 174.62 172.75 2cgq n ASP 16 N 0.29 2.53 -4.72 8.08 3.85 -1.26 -4.69 116.55 120.62 2cgq n ASP 16 Ca -0.14 -1.78 -0.38 0.00 -0.71 0.00 0.00 54.79 51.77 2cgq n ASP 16 Cb 0.59 -0.14 0.05 0.00 -1.35 0.00 0.00 41.12 40.27 2cgq n ASP 16 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2cgq n ARG 17 N 0.57 1.52 -1.95 0.11 1.85 -1.26 -4.94 116.66 112.57 2cgq n ARG 17 Ca 0.10 0.56 -0.40 0.00 -1.00 0.00 0.00 57.85 57.11 2cgq n ARG 17 Cb 0.37 -2.50 -0.00 0.00 -1.05 0.00 0.00 32.46 29.28 2cgq n ARG 17 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2cgq s GLY 18 N -1.00 2.94 -0.16 2.89 0.00 -1.26 -4.99 107.32 105.75 2cgq s GLY 18 Ca 0.73 1.36 -0.02 0.00 0.00 0.00 0.00 44.72 46.79 2cgq s GLY 18 CO 0.48 1.98 -0.08 -0.42 0.00 0.00 0.00 173.10 175.06 2cgq s ILE 19 N -1.20 3.44 0.09 0.90 -1.09 -1.26 -5.12 121.20 116.96 2cgq s ILE 19 Ca 0.56 -0.51 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 2cgq s ILE 19 Cb -0.41 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 2cgq s ILE 19 CO 0.54 0.49 -0.11 0.42 -1.23 0.00 0.00 174.94 175.05 2cgq s THR 20 N 0.55 1.01 0.56 2.92 -4.23 -1.26 -5.04 115.64 110.15 2cgq s THR 20 Ca -0.05 -1.57 0.31 0.00 -1.18 0.00 0.00 61.69 59.19 2cgq s THR 20 Cb -0.15 -1.30 0.35 0.00 1.34 0.00 0.00 72.50 72.74 2cgq s THR 20 CO 0.03 -0.47 2.23 0.00 -0.54 0.00 0.00 174.62 175.87 2cgq h ALA 21 N 3.72 1.43 0.00 3.99 0.00 -1.99 -1.89 119.26 124.51 2cgq h ALA 21 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2cgq h ALA 21 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2cgq h ALA 21 CO 0.50 0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.05 2cgq n ASN 22 N -3.73 0.66 -4.70 0.00 6.94 -1.26 -0.60 115.26 112.56 2cgq n ASN 22 Ca -0.03 0.58 -0.42 0.00 -0.02 0.00 0.00 54.58 54.69 2cgq n ASN 22 Cb 0.11 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 36.75 2cgq n ASN 22 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2cgq s GLN 23 N -3.12 4.25 -0.10 -3.83 -0.21 -0.71 -4.81 119.66 111.14 2cgq s GLN 23 Ca 0.10 2.18 -0.30 0.00 0.02 0.00 0.00 55.36 57.36 2cgq s GLN 23 Cb 0.13 -3.43 -0.03 0.00 1.00 0.00 0.00 33.01 30.68 2cgq s GLN 23 CO 0.54 -0.60 1.24 0.08 -2.12 0.00 0.00 175.29 174.43 2cgq s VAL 24 N 1.95 4.24 0.14 1.09 1.01 -1.26 -0.66 120.40 126.91 2cgq s VAL 24 Ca 0.68 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 64.03 2cgq s VAL 24 Cb -0.38 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2cgq s VAL 24 CO 0.30 -0.05 1.76 -0.07 0.00 0.00 0.00 175.10 177.04 2cgq h LEU 25 N 8.81 0.18 0.20 3.92 3.38 -1.48 0.36 115.31 130.68 2cgq h LEU 25 Ca -0.31 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2cgq h LEU 25 Cb 1.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2cgq h LEU 25 CO 0.92 0.14 -0.10 0.58 0.09 0.00 0.00 178.44 180.07 2cgq h VAL 26 N 0.29 0.00 -0.52 1.22 2.07 -1.79 -0.91 116.25 116.61 2cgq h VAL 26 Ca 0.13 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2cgq h VAL 26 Cb 0.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 2cgq h VAL 26 CO -0.11 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.92 2cgq h ASP 27 N -0.75 0.85 0.07 0.57 5.19 -1.88 -1.68 116.42 118.79 2cgq h ASP 27 Ca -0.03 -0.22 -0.36 0.00 -0.62 0.00 0.00 57.03 55.81 2cgq h ASP 27 Cb 0.21 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 2cgq h ASP 27 CO 0.05 0.91 -2.02 0.47 -3.12 0.00 0.00 179.24 175.53 2cgq n ASP 28 N -4.20 2.04 -0.00 6.45 8.00 0.09 -4.63 116.55 124.30 2cgq n ASP 28 Ca 0.03 0.18 0.09 0.00 0.71 0.00 0.00 54.79 55.80 2cgq n ASP 28 Cb 0.32 -0.79 -0.12 0.00 -0.02 0.00 0.00 41.12 40.51 2cgq n ASP 28 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2cgq n LEU 29 N -3.64 0.72 -0.47 0.64 4.77 -1.04 -5.00 117.00 112.98 2cgq n LEU 29 Ca -0.36 -0.39 -0.04 0.00 -0.03 0.00 0.00 56.01 55.18 2cgq n LEU 29 Cb 0.97 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.05 2cgq n LEU 29 CO 0.33 0.18 -0.05 0.61 -1.33 0.00 0.00 177.39 177.12 2cgq n GLY 30 N 1.44 0.26 3.77 -0.72 0.00 -0.63 -4.98 105.19 104.31 2cgq n GLY 30 Ca 0.02 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 2cgq n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cgq s PHE 31 N -2.21 2.51 0.37 1.61 0.40 -0.41 -4.96 117.98 115.29 2cgq s PHE 31 Ca 0.00 1.30 0.00 0.00 -0.60 0.00 0.00 56.93 57.63 2cgq s PHE 31 Cb 0.00 -3.87 -0.00 0.00 0.51 0.00 0.00 43.02 39.66 2cgq s PHE 31 CO 0.00 -2.78 0.01 -0.40 0.70 0.00 0.00 175.22 172.75 2cgq n ASP 32 N -0.19 2.86 -0.31 1.36 5.68 -1.26 -4.40 116.55 120.29 2cgq n ASP 32 Ca 0.05 -2.65 -0.05 0.00 -0.50 0.00 0.00 54.79 51.64 2cgq n ASP 32 Cb 0.42 0.31 0.08 0.00 -1.14 0.00 0.00 41.12 40.79 2cgq n ASP 32 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2cgq h SER 33 N 0.94 1.12 -0.12 -1.12 4.64 -1.99 -0.47 113.55 116.55 2cgq h SER 33 Ca -0.31 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2cgq h SER 33 Cb 0.94 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2cgq h SER 33 CO 0.51 0.95 0.06 0.25 -0.87 0.00 0.00 176.83 177.73 2cgq h LEU 34 N 1.21 0.15 -0.99 5.97 5.85 -1.99 -1.66 115.31 123.85 2cgq h LEU 34 Ca 0.29 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 2cgq h LEU 34 Cb 0.14 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2cgq h LEU 34 CO -0.03 0.20 -0.50 0.11 -0.34 0.00 0.00 178.44 177.88 2cgq h LYS 35 N 0.08 0.00 -0.45 1.25 1.57 -1.85 -0.88 116.57 116.30 2cgq h LYS 35 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 2cgq h LYS 35 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2cgq h LYS 35 CO -0.01 0.50 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.09 2cgq h LEU 36 N 0.00 0.93 -0.58 2.94 3.38 -0.95 0.06 115.31 121.08 2cgq h LEU 36 Ca -0.01 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2cgq h LEU 36 Cb 0.90 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2cgq h LEU 36 CO 0.07 1.11 0.34 0.15 0.09 0.00 0.00 178.44 180.19 2cgq h PHE 37 N 0.79 0.78 -0.47 1.13 3.57 -0.71 -1.67 116.94 120.35 2cgq h PHE 37 Ca 0.11 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2cgq h PHE 37 Cb 0.77 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2cgq h PHE 37 CO 0.05 0.55 0.27 1.96 -2.23 0.00 0.00 178.31 178.91 2cgq h GLN 38 N 0.79 0.53 -0.06 1.11 4.20 -0.98 -2.12 115.11 118.57 2cgq h GLN 38 Ca 0.21 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.90 2cgq h GLN 38 Cb 0.01 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2cgq h GLN 38 CO -0.04 0.35 -0.01 1.25 -0.67 0.00 0.00 178.83 179.71 2cgq h LEU 39 N 0.54 -0.05 0.04 1.46 5.85 -0.59 0.14 115.31 122.71 2cgq h LEU 39 Ca 0.19 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2cgq h LEU 39 Cb 0.03 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2cgq h LEU 39 CO -0.10 -0.01 -0.02 0.40 -0.34 0.00 0.00 178.44 178.37 2cgq h ILE 40 N 0.01 0.98 -0.31 4.05 1.08 -1.21 -1.76 117.51 120.35 2cgq h ILE 40 Ca 0.03 -0.08 -0.08 0.00 -0.39 0.00 0.00 64.86 64.34 2cgq h ILE 40 Cb 0.04 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 2cgq h ILE 40 CO -0.06 0.02 -0.12 0.71 -0.69 0.00 0.00 178.15 178.01 2cgq h THR 41 N -0.09 1.29 -0.55 -0.27 1.35 -1.33 -0.22 112.91 113.09 2cgq h THR 41 Ca -0.01 -1.20 0.09 0.00 -0.55 0.00 0.00 66.41 64.74 2cgq h THR 41 Cb 0.08 1.42 -0.07 0.00 -1.73 0.00 0.00 68.15 67.85 2cgq h THR 41 CO 0.01 0.38 0.17 -0.33 -0.25 0.00 0.00 175.52 175.50 2cgq h GLU 42 N 0.39 0.32 -0.59 4.72 5.08 -0.68 -0.38 114.58 123.43 2cgq h GLU 42 Ca 0.07 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2cgq h GLU 42 Cb 0.63 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2cgq h GLU 42 CO 0.04 0.21 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.16 2cgq h LEU 43 N 0.33 1.05 -0.71 1.33 3.38 -1.12 0.28 115.31 119.85 2cgq h LEU 43 Ca 0.27 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2cgq h LEU 43 Cb 0.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2cgq h LEU 43 CO -0.31 1.11 0.43 -0.33 0.09 0.00 0.00 178.44 179.43 2cgq h GLU 44 N 0.96 0.80 -0.26 1.13 5.08 -0.69 0.02 114.58 121.62 2cgq h GLU 44 Ca 0.16 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.29 2cgq h GLU 44 Cb 0.59 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2cgq h GLU 44 CO 0.04 0.53 -0.56 -0.44 -1.00 0.00 0.00 179.01 177.57 2cgq h ASP 45 N 0.82 0.95 -0.51 1.42 3.32 -0.88 -0.19 116.42 121.35 2cgq h ASP 45 Ca 0.30 -0.55 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 2cgq h ASP 45 Cb 0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2cgq h ASP 45 CO -0.14 1.32 0.08 -0.08 -1.72 0.00 0.00 179.24 178.70 2cgq h GLU 46 N 0.61 0.85 -0.02 3.56 4.81 -0.07 -3.24 114.58 121.08 2cgq h GLU 46 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2cgq h GLU 46 Cb 1.18 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2cgq h GLU 46 CO 0.12 0.85 -0.19 1.19 -0.73 0.00 0.00 179.01 180.25 2cgq n PHE 47 N -4.39 0.00 -3.73 0.92 3.72 -0.04 -4.98 117.46 108.97 2cgq n PHE 47 Ca 0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 2cgq n PHE 47 Cb 0.26 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.83 2cgq n PHE 47 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2cgq n ASP 48 N 0.63 -2.34 -4.44 4.37 4.64 -0.16 -5.02 116.55 114.23 2cgq n ASP 48 Ca 0.11 -0.91 -0.29 0.00 -1.38 0.00 0.00 54.79 52.32 2cgq n ASP 48 Cb 0.48 -3.73 -0.08 0.00 -1.04 0.00 0.00 41.12 36.75 2cgq n ASP 48 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2cgq s ILE 49 N -3.67 0.92 -0.02 5.18 -4.36 -0.71 -5.05 121.20 113.50 2cgq s ILE 49 Ca 0.15 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2cgq s ILE 49 Cb -0.05 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.37 2cgq s ILE 49 CO 0.84 0.00 -0.07 0.00 0.24 0.00 0.00 174.94 175.95 2cgq s ALA 50 N -3.04 0.66 -0.09 2.27 0.00 -1.26 -4.53 121.76 115.78 2cgq s ALA 50 Ca 0.16 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.89 2cgq s ALA 50 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 2cgq s ALA 50 CO 0.09 0.12 -0.22 0.42 0.00 0.00 0.00 175.76 176.17 2cgq s ILE 51 N 0.07 1.92 0.70 0.00 1.01 -1.26 -5.09 121.20 118.55 2cgq s ILE 51 Ca -0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 2cgq s ILE 51 Cb -0.06 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2cgq s ILE 51 CO -0.00 0.53 1.11 -0.94 0.00 0.00 0.00 174.94 175.64 2cgq s SER 52 N 0.27 4.83 0.23 3.58 1.04 -1.26 -4.83 113.70 117.56 2cgq s SER 52 Ca -0.15 1.96 -0.08 0.00 0.48 0.00 0.00 55.95 58.17 2cgq s SER 52 Cb -0.17 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.62 2cgq s SER 52 CO 0.07 -1.82 1.88 0.15 0.98 0.00 0.00 173.24 174.50 2cgq h PHE 53 N -0.39 1.17 -0.35 5.02 3.04 -1.99 -0.75 116.94 122.68 2cgq h PHE 53 Ca -0.46 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.49 2cgq h PHE 53 Cb 1.24 -0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 2cgq h PHE 53 CO 0.55 0.78 0.21 -0.09 -2.02 0.00 0.00 178.31 177.74 2cgq h ARG 54 N 1.23 0.48 -0.49 1.11 2.43 -1.99 0.66 114.38 117.80 2cgq h ARG 54 Ca 0.32 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2cgq h ARG 54 Cb -0.06 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2cgq h ARG 54 CO -0.06 0.36 0.11 -0.44 -1.51 0.00 0.00 179.97 178.43 2cgq h ASP 55 N 0.46 0.76 -0.76 -3.80 3.32 -1.88 -2.35 116.42 112.17 2cgq h ASP 55 Ca 0.13 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 56.98 2cgq h ASP 55 Cb 0.00 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 2cgq h ASP 55 CO -0.02 0.80 0.46 0.00 -1.72 0.00 0.00 179.24 178.76 2cgq h ALA 56 N 0.98 1.02 0.00 3.45 0.00 -0.63 -1.93 119.26 122.16 2cgq h ALA 56 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cgq h ALA 56 Cb 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2cgq h ALA 56 CO 0.00 0.21 0.00 1.96 0.00 0.00 0.00 179.25 181.42 2cgq h GLN 57 N 0.87 0.00 -0.00 0.00 1.08 -0.65 -2.62 115.11 113.79 2cgq h GLN 57 Ca 0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 2cgq h GLN 57 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2cgq h GLN 57 CO -0.15 0.00 -0.42 0.09 -0.95 0.00 0.00 178.83 177.40 2cgq n ASN 58 N -3.09 0.64 -4.68 1.46 3.02 -0.77 -4.90 115.26 106.94 2cgq n ASN 58 Ca 0.01 -0.42 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 2cgq n ASN 58 Cb 0.31 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 2cgq n ASN 58 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2cgq s ILE 59 N -2.85 3.76 -0.01 2.41 1.01 -0.95 -4.88 121.20 119.69 2cgq s ILE 59 Ca 0.15 1.07 -0.00 0.00 0.00 0.00 0.00 60.65 61.87 2cgq s ILE 59 Cb 0.18 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 2cgq s ILE 59 CO 0.64 -0.04 -0.01 0.29 0.00 0.00 0.00 174.94 175.83 2cgq n LYS 60 N 5.97 0.02 -4.06 2.79 4.76 -1.26 -4.99 118.16 121.38 2cgq n LYS 60 Ca 0.14 0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.36 2cgq n LYS 60 Cb 0.44 -0.93 -0.06 0.00 -1.84 0.00 0.00 35.03 32.63 2cgq n LYS 60 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2cgq s THR 61 N -2.02 3.06 0.22 -0.18 -4.23 -1.26 -1.20 115.64 110.03 2cgq s THR 61 Ca -0.01 -1.66 -0.07 0.00 -1.18 0.00 0.00 61.69 58.77 2cgq s THR 61 Cb 0.00 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 71.02 2cgq s THR 61 CO 0.02 -0.18 1.74 0.58 -0.54 0.00 0.00 174.62 176.25 2cgq h VAL 62 N 1.51 0.75 -0.88 2.29 2.07 -0.95 -1.46 116.25 119.58 2cgq h VAL 62 Ca -0.44 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.05 2cgq h VAL 62 Cb 1.25 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2cgq h VAL 62 CO 0.63 0.08 0.57 1.23 0.02 0.00 0.00 177.57 180.09 2cgq h GLY 63 N 0.45 1.21 1.25 2.17 0.00 -1.12 -0.91 103.07 106.11 2cgq h GLY 63 Ca 0.35 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 2cgq h GLY 63 CO -0.33 0.14 0.04 -0.55 0.00 0.00 0.00 176.54 175.83 2cgq h ASP 64 N 0.75 0.88 -0.29 0.19 3.32 -1.54 -1.42 116.42 118.31 2cgq h ASP 64 Ca 0.43 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2cgq h ASP 64 Cb 0.58 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2cgq h ASP 64 CO -0.19 0.92 0.16 0.58 -1.72 0.00 0.00 179.24 179.00 2cgq h VAL 65 N 0.86 1.12 -0.62 -1.35 2.07 -0.91 -0.83 116.25 116.59 2cgq h VAL 65 Ca 0.17 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2cgq h VAL 65 Cb 0.46 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2cgq h VAL 65 CO 0.02 0.12 0.33 1.88 0.02 0.00 0.00 177.57 179.94 2cgq h TYR 66 N 0.36 0.60 0.00 1.57 0.05 -0.71 -2.15 116.97 116.68 2cgq h TYR 66 Ca 0.10 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.81 2cgq h TYR 66 Cb 0.05 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 2cgq h TYR 66 CO -0.03 0.28 -0.45 1.79 -1.05 0.00 0.00 178.16 178.70 2cgq h THR 67 N 0.61 0.87 -0.43 -2.88 1.35 -1.09 0.15 112.91 111.51 2cgq h THR 67 Ca 0.28 -1.94 -0.11 0.00 -0.55 0.00 0.00 66.41 64.09 2cgq h THR 67 Cb 0.18 2.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2cgq h THR 67 CO -0.18 0.45 -0.17 0.77 -0.25 0.00 0.00 175.52 176.14 2cgq h SER 68 N 0.00 0.81 0.16 5.36 4.64 -0.67 -2.79 113.55 121.06 2cgq h SER 68 Ca -0.00 -0.27 -0.26 0.00 -0.47 0.00 0.00 61.79 60.78 2cgq h SER 68 Cb 1.18 -0.22 0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2cgq h SER 68 CO 0.06 0.98 -1.13 0.58 -0.87 0.00 0.00 176.83 176.44 2cgq h VAL 69 N 0.72 1.37 -0.69 0.95 2.07 -1.19 -3.35 116.25 116.12 2cgq h VAL 69 Ca 0.11 -2.53 0.20 0.00 0.82 0.00 0.00 66.70 65.30 2cgq h VAL 69 Cb 0.68 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 2cgq h VAL 69 CO 0.05 0.75 0.50 0.00 0.02 0.00 0.00 177.57 178.88 2cgq h ALA 70 N 0.18 2.63 0.00 1.67 0.00 -0.58 -1.04 119.26 122.12 2cgq h ALA 70 Ca -0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2cgq h ALA 70 Cb 1.86 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2cgq h ALA 70 CO 0.21 -0.83 -0.04 -0.39 0.00 0.00 0.00 179.25 178.21 2cgq h VAL 71 N 0.02 0.32 -0.00 0.00 -1.51 -1.64 -1.64 116.25 111.79 2cgq h VAL 71 Ca 0.33 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 2cgq h VAL 71 Cb 1.29 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2cgq h VAL 71 CO -0.01 0.04 -0.22 0.79 -1.23 0.00 0.00 177.57 176.95 2cgq n TRP 72 N -3.45 0.00 -0.74 5.19 7.02 -0.39 -5.17 117.44 119.90 2cgq n TRP 72 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2cgq n TRP 72 Cb 0.16 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 2cgq n TRP 72 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86