#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnq s VAL 3 N 0.00 2.90 0.00 2.52 1.01 -0.82 -4.92 120.40 121.09 1nnq s VAL 3 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1nnq s VAL 3 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1nnq s VAL 3 CO 0.00 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.42 1nnq n LYS 4 N 4.34 2.21 -1.68 2.72 4.76 -1.26 -4.91 118.16 124.34 1nnq n LYS 4 Ca 0.14 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 55.13 1nnq n LYS 4 Cb 0.40 -0.99 -0.04 0.00 -1.84 0.00 0.00 35.03 32.56 1nnq n LYS 4 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1nnq n ARG 5 N -2.21 2.32 -0.15 1.97 5.12 -1.26 -4.88 116.66 117.57 1nnq n ARG 5 Ca 0.00 0.84 -0.03 0.00 -1.93 0.00 0.00 57.85 56.72 1nnq n ARG 5 Cb 0.49 -2.63 0.04 0.00 -1.16 0.00 0.00 32.46 29.20 1nnq n ARG 5 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1nnq h THR 6 N 3.77 0.57 0.05 0.55 2.02 -1.99 -1.94 112.91 115.94 1nnq h THR 6 Ca -0.45 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1nnq h THR 6 Cb 1.24 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1nnq h THR 6 CO 0.91 0.01 -0.03 0.24 0.37 0.00 0.00 175.52 177.02 1nnq h MET 7 N 0.04 -0.07 -0.95 6.66 2.86 -1.99 -1.84 114.93 119.63 1nnq h MET 7 Ca 0.23 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1nnq h MET 7 Cb 0.35 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1nnq h MET 7 CO -0.44 0.25 0.63 1.15 1.06 0.00 0.00 176.91 179.55 1nnq h THR 8 N -0.39 1.20 0.10 2.22 2.02 -1.93 -0.12 112.91 116.02 1nnq h THR 8 Ca -0.01 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1nnq h THR 8 Cb 0.35 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1nnq h THR 8 CO 0.01 0.23 -0.05 0.50 0.37 0.00 0.00 175.52 176.58 1nnq h LYS 9 N 1.25 -0.13 -0.99 6.66 3.64 -1.31 0.15 116.57 125.84 1nnq h LYS 9 Ca 0.36 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.81 1nnq h LYS 9 Cb -0.07 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1nnq h LYS 9 CO -0.10 -0.04 0.64 -0.22 -2.27 0.00 0.00 179.45 177.47 1nnq h LYS 10 N -0.20 1.15 -0.31 1.90 3.64 -0.96 0.03 116.57 121.82 1nnq h LYS 10 Ca -0.01 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1nnq h LYS 10 Cb 0.16 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1nnq h LYS 10 CO 0.02 0.76 0.07 0.74 -2.27 0.00 0.00 179.45 178.78 1nnq h PHE 11 N 1.18 0.53 -0.95 1.91 0.05 -0.59 -1.55 116.94 117.52 1nnq h PHE 11 Ca 0.42 -0.07 0.01 0.00 3.82 0.00 0.00 57.97 62.16 1nnq h PHE 11 Cb 0.12 -0.15 -0.05 0.00 2.00 0.00 0.00 35.95 37.88 1nnq h PHE 11 CO -0.00 0.56 0.63 -0.07 -0.18 0.00 0.00 178.31 179.25 1nnq h LEU 12 N 0.35 1.09 -1.06 1.54 3.38 -0.36 0.10 115.31 120.35 1nnq h LEU 12 Ca 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1nnq h LEU 12 Cb 0.30 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1nnq h LEU 12 CO 0.00 0.79 0.43 -0.33 0.09 0.00 0.00 178.44 179.42 1nnq h GLU 13 N 1.29 1.09 -0.27 1.13 5.08 -0.73 0.29 114.58 122.45 1nnq h GLU 13 Ca 0.35 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 1nnq h GLU 13 Cb -0.14 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.90 1nnq h GLU 13 CO -0.08 0.79 -0.53 1.49 -1.00 0.00 0.00 179.01 179.68 1nnq h GLU 14 N 1.09 0.83 -0.71 2.33 4.57 -0.69 -1.72 114.58 120.29 1nnq h GLU 14 Ca 0.28 -0.54 -0.07 0.00 -1.18 0.00 0.00 59.36 57.85 1nnq h GLU 14 Cb 0.02 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1nnq h GLU 14 CO -0.05 1.17 0.18 0.00 -1.18 0.00 0.00 179.01 179.13 1nnq h ALA 15 N 0.66 0.97 -0.57 2.92 0.00 -0.38 0.14 119.26 123.00 1nnq h ALA 15 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1nnq h ALA 15 Cb 1.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nnq h ALA 15 CO 0.12 0.66 0.22 0.35 0.00 0.00 0.00 179.25 180.60 1nnq h PHE 16 N 1.07 0.88 -0.04 0.00 3.57 -0.34 0.20 116.94 122.28 1nnq h PHE 16 Ca 0.22 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1nnq h PHE 16 Cb 0.36 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1nnq h PHE 16 CO 0.03 0.72 -0.03 0.00 -2.23 0.00 0.00 178.31 176.80 1nnq h ALA 17 N 1.07 0.00 -0.72 2.41 0.00 -0.96 -1.24 119.26 119.82 1nnq h ALA 17 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1nnq h ALA 17 Cb 0.22 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1nnq h ALA 17 CO -0.01 -0.51 0.41 0.78 0.00 0.00 0.00 179.25 179.91 1nnq h GLY 18 N -0.03 1.06 1.18 0.00 0.00 -0.50 -1.59 103.07 103.19 1nnq h GLY 18 Ca 0.03 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1nnq h GLY 18 CO -0.06 0.44 -0.43 0.83 0.00 0.00 0.00 176.54 177.32 1nnq h GLU 19 N 1.00 0.88 -0.40 4.80 4.39 -0.45 -1.51 114.58 123.29 1nnq h GLU 19 Ca 0.26 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1nnq h GLU 19 Cb 0.01 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1nnq h GLU 19 CO -0.04 1.13 0.21 0.77 -1.16 0.00 0.00 179.01 179.92 1nnq h SER 20 N 0.71 0.52 -0.38 1.42 0.02 -0.95 -1.30 113.55 113.59 1nnq h SER 20 Ca 0.05 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1nnq h SER 20 Cb 1.02 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1nnq h SER 20 CO 0.10 0.48 -0.15 0.24 -1.14 0.00 0.00 176.83 176.37 1nnq h MET 21 N 0.51 0.84 -0.41 3.45 2.86 -1.21 -1.29 114.93 119.69 1nnq h MET 21 Ca 0.14 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1nnq h MET 21 Cb 0.09 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1nnq h MET 21 CO -0.02 0.93 0.05 0.00 1.06 0.00 0.00 176.91 178.93 1nnq h ALA 22 N 1.08 0.54 -0.34 6.32 0.00 -1.15 0.16 119.26 125.87 1nnq h ALA 22 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1nnq h ALA 22 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1nnq h ALA 22 CO 0.05 0.27 0.15 1.25 0.00 0.00 0.00 179.25 180.97 1nnq h HIS 23 N 0.53 0.28 0.11 0.00 6.17 -1.15 -0.30 115.15 120.80 1nnq h HIS 23 Ca 0.12 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 1nnq h HIS 23 Cb 0.40 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1nnq h HIS 23 CO 0.03 0.14 -0.05 1.98 0.71 0.00 0.00 177.93 180.74 1nnq h MET 24 N 0.32 -0.14 -0.60 5.26 -1.53 -0.93 -1.59 114.93 115.72 1nnq h MET 24 Ca 0.15 0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.52 1nnq h MET 24 Cb 0.08 0.03 -0.08 0.00 -0.55 0.00 0.00 31.60 31.09 1nnq h MET 24 CO -0.12 -0.04 0.19 0.00 0.14 0.00 0.00 176.91 177.08 1nnq h ARG 25 N -0.21 0.34 -0.25 0.39 3.08 -0.56 -0.95 114.38 116.22 1nnq h ARG 25 Ca -0.02 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1nnq h ARG 25 Cb 0.17 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1nnq h ARG 25 CO 0.03 0.23 -0.17 1.88 -1.07 0.00 0.00 179.97 180.87 1nnq h TYR 26 N 0.35 0.47 -0.44 3.04 0.99 -0.85 0.29 116.97 120.82 1nnq h TYR 26 Ca 0.31 -0.08 -0.13 0.00 2.00 0.00 0.00 58.73 60.83 1nnq h TYR 26 Cb 0.41 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.00 1nnq h TYR 26 CO -0.19 0.58 -0.24 -0.07 -0.00 0.00 0.00 178.16 178.24 1nnq h LEU 27 N 0.40 0.93 -0.38 3.88 3.38 -0.57 0.15 115.31 123.09 1nnq h LEU 27 Ca 0.07 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1nnq h LEU 27 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1nnq h LEU 27 CO 0.03 1.12 -0.03 0.40 0.09 0.00 0.00 178.44 180.05 1nnq h ILE 28 N 0.78 1.27 -0.06 1.22 2.04 -0.73 -2.90 117.51 119.13 1nnq h ILE 28 Ca 0.10 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1nnq h ILE 28 Cb 0.80 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1nnq h ILE 28 CO 0.07 0.36 -0.32 -0.26 0.00 0.00 0.00 178.15 177.99 1nnq h PHE 29 N 0.52 0.11 0.12 1.37 0.05 -0.29 -2.53 116.94 116.28 1nnq h PHE 29 Ca 0.10 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 1nnq h PHE 29 Cb 0.52 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 38.44 1nnq h PHE 29 CO 0.04 0.42 -0.06 0.00 -0.18 0.00 0.00 178.31 178.53 1nnq h ALA 30 N 1.59 -0.16 -0.88 2.45 0.00 -0.83 0.15 119.26 121.59 1nnq h ALA 30 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nnq h ALA 30 Cb 0.62 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1nnq h ALA 30 CO 0.04 -0.52 0.57 1.49 0.00 0.00 0.00 179.25 180.84 1nnq h GLU 31 N -0.29 1.10 -0.28 0.00 4.81 -1.41 -1.53 114.58 116.98 1nnq h GLU 31 Ca -0.02 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1nnq h GLU 31 Cb 0.24 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1nnq h GLU 31 CO 0.03 0.72 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.50 1nnq h LYS 32 N 1.13 0.58 -0.49 1.92 1.63 -1.22 -2.68 116.57 117.44 1nnq h LYS 32 Ca 0.34 -0.25 -0.11 0.00 -0.85 0.00 0.00 60.65 59.77 1nnq h LYS 32 Cb -0.04 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1nnq h LYS 32 CO -0.10 0.82 -0.14 0.00 -3.45 0.00 0.00 179.45 176.58 1nnq h ALA 33 N 1.16 0.82 0.00 5.00 0.00 -0.20 -2.03 119.26 124.02 1nnq h ALA 33 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nnq h ALA 33 Cb 0.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nnq h ALA 33 CO 0.06 0.65 -0.00 1.05 0.00 0.00 0.00 179.25 181.02 1nnq h GLU 34 N 0.83 -0.00 -0.90 0.00 -0.00 -1.24 0.48 114.58 113.75 1nnq h GLU 34 Ca 0.13 0.00 0.19 0.00 -0.00 0.00 0.00 59.36 59.68 1nnq h GLU 34 Cb 0.68 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.37 1nnq h GLU 34 CO 0.05 0.21 0.59 1.96 -0.00 0.00 0.00 179.01 181.82 1nnq h GLN 35 N -0.21 0.44 -0.05 1.06 4.20 -1.40 -0.41 115.11 118.73 1nnq h GLN 35 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1nnq h GLN 35 Cb 0.21 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1nnq h GLN 35 CO 0.00 0.29 0.00 0.39 -0.67 0.00 0.00 178.83 178.84 1nnq n GLU 36 N -4.53 1.37 -2.62 1.46 1.02 -0.77 -4.92 120.64 111.65 1nnq n GLU 36 Ca 0.19 -0.55 -0.03 0.00 -0.02 0.00 0.00 57.16 56.75 1nnq n GLU 36 Cb 0.66 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.68 1nnq n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nnq n GLY 37 N 1.02 0.75 2.45 0.62 0.00 -0.16 -5.03 105.19 104.85 1nnq n GLY 37 Ca 0.18 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1nnq n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nnq n PHE 38 N -2.76 2.62 -0.01 1.61 3.01 0.13 -4.97 117.46 117.10 1nnq n PHE 38 Ca -0.00 -3.98 0.02 0.00 1.01 0.00 0.00 57.45 54.50 1nnq n PHE 38 Cb 0.51 -0.49 0.35 0.00 -0.01 0.00 0.00 39.48 39.84 1nnq n PHE 38 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1nnq h PRO 39 N 3.82 0.56 -0.35 -1.08 0.13 -1.86 -0.90 132.00 132.32 1nnq h PRO 39 Ca 0.15 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.06 1nnq h PRO 39 Cb 0.70 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1nnq h PRO 39 CO 0.73 0.47 -0.38 -0.91 -0.23 0.00 0.00 178.00 177.69 1nnq h ASN 40 N 0.56 0.94 -0.74 1.44 2.35 -1.95 -0.49 115.58 117.69 1nnq h ASN 40 Ca 0.14 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.38 1nnq h ASN 40 Cb 0.13 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1nnq h ASN 40 CO -0.01 1.22 0.32 0.40 -1.65 0.00 0.00 177.43 177.71 1nnq h ILE 41 N 0.67 1.25 -0.39 2.81 2.04 -1.84 -0.82 117.51 121.23 1nnq h ILE 41 Ca 0.05 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.25 1nnq h ILE 41 Cb 0.97 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1nnq h ILE 41 CO 0.09 0.30 -0.01 0.00 0.00 0.00 0.00 178.15 178.54 1nnq h ALA 42 N 1.16 0.35 -0.92 1.87 0.00 -1.06 0.67 119.26 121.32 1nnq h ALA 42 Ca 0.25 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.37 1nnq h ALA 42 Cb 0.17 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1nnq h ALA 42 CO -0.03 -0.40 0.57 -0.22 0.00 0.00 0.00 179.25 179.17 1nnq h LYS 43 N 0.10 0.93 -0.42 0.00 3.11 -0.64 -0.79 116.57 118.85 1nnq h LYS 43 Ca 0.19 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.86 1nnq h LYS 43 Cb 0.27 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1nnq h LYS 43 CO -0.32 0.61 -0.17 1.25 -2.81 0.00 0.00 179.45 178.01 1nnq h LEU 44 N 0.96 0.88 -0.35 5.20 5.85 -0.49 -1.46 115.31 125.90 1nnq h LEU 44 Ca 0.44 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1nnq h LEU 44 Cb 0.34 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1nnq h LEU 44 CO -0.23 1.07 0.12 -0.26 -0.34 0.00 0.00 178.44 178.80 1nnq h PHE 45 N 0.68 0.21 -0.58 1.25 0.04 -0.41 -2.20 116.94 115.94 1nnq h PHE 45 Ca 0.10 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.81 1nnq h PHE 45 Cb 0.73 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1nnq h PHE 45 CO 0.05 0.09 0.06 0.00 -0.60 0.00 0.00 178.31 177.91 1nnq h ARG 46 N 0.27 0.98 -0.15 1.51 3.08 -0.99 -0.43 114.38 118.65 1nnq h ARG 46 Ca 0.16 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1nnq h ARG 46 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1nnq h ARG 46 CO -0.16 0.95 0.04 0.00 -1.07 0.00 0.00 179.97 179.73 1nnq h ALA 47 N 0.99 0.19 -0.44 0.04 0.00 -1.21 -1.57 119.26 117.25 1nnq h ALA 47 Ca 0.17 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1nnq h ALA 47 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1nnq h ALA 47 CO 0.02 -0.18 -0.05 0.82 0.00 0.00 0.00 179.25 179.85 1nnq h ILE 48 N 0.05 1.25 -0.84 0.00 2.04 -1.34 -1.93 117.51 116.74 1nnq h ILE 48 Ca 0.05 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 64.92 1nnq h ILE 48 Cb 0.24 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1nnq h ILE 48 CO -0.00 0.37 0.50 0.00 0.00 0.00 0.00 178.15 179.02 1nnq h ALA 49 N 1.24 1.19 -0.72 1.87 0.00 -0.86 -0.50 119.26 121.47 1nnq h ALA 49 Ca 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1nnq h ALA 49 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1nnq h ALA 49 CO 0.03 0.16 0.26 -0.92 0.00 0.00 0.00 179.25 178.78 1nnq h TYR 50 N 0.86 1.11 -0.83 0.00 3.20 -0.55 -1.32 116.97 119.45 1nnq h TYR 50 Ca 0.39 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1nnq h TYR 50 Cb 0.30 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 1nnq h TYR 50 CO -0.05 0.86 0.41 0.00 -1.64 0.00 0.00 178.16 177.74 1nnq h ALA 51 N 1.23 1.06 -0.68 1.82 0.00 -0.67 -1.41 119.26 120.61 1nnq h ALA 51 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nnq h ALA 51 Cb 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nnq h ALA 51 CO -0.02 0.61 0.38 0.93 0.00 0.00 0.00 179.25 181.15 1nnq h GLU 52 N 1.17 0.94 -0.85 0.00 4.39 -0.78 -1.74 114.58 117.70 1nnq h GLU 52 Ca 0.29 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.92 1nnq h GLU 52 Cb 0.09 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 1nnq h GLU 52 CO -0.04 0.68 0.54 0.35 -1.16 0.00 0.00 179.01 179.39 1nnq h PHE 53 N 0.94 1.02 -0.25 4.33 3.57 -0.69 0.11 116.94 125.98 1nnq h PHE 53 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1nnq h PHE 53 Cb 0.02 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1nnq h PHE 53 CO 0.01 0.59 0.16 0.28 -2.23 0.00 0.00 178.31 177.11 1nnq h VAL 54 N 1.06 1.08 -0.47 1.41 2.07 -0.64 -1.03 116.25 119.72 1nnq h VAL 54 Ca 0.34 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1nnq h VAL 54 Cb 0.01 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1nnq h VAL 54 CO -0.12 0.07 0.20 0.45 0.02 0.00 0.00 177.57 178.20 1nnq h HIS 55 N 0.32 0.71 -0.64 1.57 3.86 -0.96 -1.58 115.15 118.44 1nnq h HIS 55 Ca 0.09 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1nnq h HIS 55 Cb -0.02 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1nnq h HIS 55 CO -0.05 0.60 0.16 0.00 0.86 0.00 0.00 177.93 179.49 1nnq h ALA 56 N 1.04 0.84 -0.28 2.45 0.00 -0.89 -1.54 119.26 120.88 1nnq h ALA 56 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nnq h ALA 56 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nnq h ALA 56 CO -0.01 0.54 0.14 -0.22 0.00 0.00 0.00 179.25 179.70 1nnq h LYS 57 N 0.93 0.40 -0.40 0.00 3.64 -1.06 0.12 116.57 120.20 1nnq h LYS 57 Ca 0.20 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1nnq h LYS 57 Cb 0.35 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1nnq h LYS 57 CO 0.00 0.38 -0.00 -0.91 -2.27 0.00 0.00 179.45 176.64 1nnq h ASN 58 N 0.32 -0.17 -0.48 4.20 2.35 -1.14 0.64 115.58 121.30 1nnq h ASN 58 Ca 0.10 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1nnq h ASN 58 Cb 0.11 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1nnq h ASN 58 CO -0.01 -0.05 0.19 0.45 -1.65 0.00 0.00 177.43 176.36 1nnq h HIS 59 N 0.10 0.73 0.12 1.19 3.86 -0.90 -0.43 115.15 119.83 1nnq h HIS 59 Ca 0.19 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1nnq h HIS 59 Cb 0.28 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1nnq h HIS 59 CO -0.27 0.62 -0.12 0.35 0.86 0.00 0.00 177.93 179.37 1nnq h PHE 60 N 0.64 -0.30 -0.24 2.45 3.04 -0.40 0.33 116.94 122.45 1nnq h PHE 60 Ca 0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1nnq h PHE 60 Cb 0.19 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1nnq h PHE 60 CO 0.00 -0.18 0.16 0.82 -2.02 0.00 0.00 178.31 177.09 1nnq h ILE 61 N -0.26 1.06 -0.30 1.41 2.04 -0.84 -2.14 117.51 118.48 1nnq h ILE 61 Ca 0.00 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1nnq h ILE 61 Cb 0.25 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1nnq h ILE 61 CO -0.03 0.06 0.21 0.00 0.00 0.00 0.00 178.15 178.39 1nnq h ALA 62 N 1.09 2.12 0.00 1.87 0.00 -0.76 0.10 119.26 123.68 1nnq h ALA 62 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nnq h ALA 62 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nnq h ALA 62 CO -0.02 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1nnq n LEU 63 N -4.47 0.00 -0.30 0.00 4.77 0.08 -1.95 117.00 115.13 1nnq n LEU 63 Ca 0.04 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.25 1nnq n LEU 63 Cb 0.28 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1nnq n LEU 63 CO 0.35 -0.05 -0.03 0.61 -1.33 0.00 0.00 177.39 176.93 1nnq n GLY 64 N 0.79 0.45 0.33 -0.72 0.00 0.35 -4.79 105.19 101.60 1nnq n GLY 64 Ca 0.12 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.41 1nnq n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nnq n LYS 65 N -2.17 0.93 -3.70 1.61 5.02 -0.94 -4.83 118.16 114.08 1nnq n LYS 65 Ca -0.03 -0.67 -0.37 0.00 -2.02 0.00 0.00 58.31 55.21 1nnq n LYS 65 Cb 0.30 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.70 1nnq n LYS 65 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nnq s LEU 66 N -2.54 3.75 0.00 -0.35 2.96 -1.26 -4.98 118.68 116.26 1nnq s LEU 66 Ca 0.20 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1nnq s LEU 66 Cb 0.18 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1nnq s LEU 66 CO 0.57 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 176.11 1nnq n GLY 67 N 4.96 4.46 3.90 7.98 0.00 -1.26 -5.05 105.19 120.17 1nnq n GLY 67 Ca -0.15 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 1nnq n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnq s LYS 68 N 2.38 3.37 0.26 1.61 1.02 -1.26 -4.79 119.74 122.32 1nnq s LYS 68 Ca 0.00 0.27 -0.08 0.00 0.02 0.00 0.00 55.97 56.17 1nnq s LYS 68 Cb 0.00 -2.28 0.42 0.00 -0.52 0.00 0.00 37.83 35.46 1nnq s LYS 68 CO 0.00 -0.44 1.59 1.15 -0.92 0.00 0.00 175.35 176.73 1nnq h THR 69 N -0.02 0.15 -0.78 2.17 2.02 -1.98 -0.22 112.91 114.25 1nnq h THR 69 Ca -0.46 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.75 1nnq h THR 69 Cb 1.22 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1nnq h THR 69 CO 0.62 0.00 0.49 -0.65 0.37 0.00 0.00 175.52 176.35 1nnq h PRO 70 N 0.01 0.94 0.00 6.66 0.11 -1.92 0.15 132.00 137.94 1nnq h PRO 70 Ca 0.43 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.32 1nnq h PRO 70 Cb 0.70 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1nnq h PRO 70 CO -0.87 0.62 -0.82 1.05 -0.21 0.00 0.00 178.00 177.77 1nnq h GLU 71 N 0.96 0.00 -0.84 1.05 4.11 -1.61 -1.89 114.58 116.37 1nnq h GLU 71 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.71 1nnq h GLU 71 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1nnq h GLU 71 CO -0.11 0.82 0.39 -0.91 0.07 0.00 0.00 179.01 179.26 1nnq h ASN 72 N 0.00 1.11 -0.41 3.06 2.35 -0.79 -1.98 115.58 118.91 1nnq h ASN 72 Ca -0.01 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1nnq h ASN 72 Cb 1.52 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 1nnq h ASN 72 CO 0.11 0.94 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.76 1nnq h LEU 73 N 1.20 0.71 -0.79 1.61 3.38 -0.51 -2.04 115.31 118.87 1nnq h LEU 73 Ca 0.29 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1nnq h LEU 73 Cb 0.14 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1nnq h LEU 73 CO -0.03 0.85 0.45 -0.61 0.09 0.00 0.00 178.44 179.19 1nnq h GLN 74 N 0.56 0.76 -0.49 1.13 5.75 -1.23 0.90 115.11 122.49 1nnq h GLN 74 Ca 0.12 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1nnq h GLN 74 Cb 0.48 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1nnq h GLN 74 CO 0.02 0.51 -0.10 0.52 -2.65 0.00 0.00 178.83 177.13 1nnq h MET 75 N 0.79 0.89 -0.17 1.69 2.86 -1.17 -1.27 114.93 118.56 1nnq h MET 75 Ca 0.37 -0.31 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1nnq h MET 75 Cb 0.28 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1nnq h MET 75 CO -0.22 0.95 -0.08 0.78 1.06 0.00 0.00 176.91 179.40 1nnq h GLY 76 N 0.97 0.08 0.68 8.32 0.00 -0.81 -1.64 103.07 110.67 1nnq h GLY 76 Ca 0.13 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1nnq h GLY 76 CO 0.04 -0.10 0.30 -2.22 0.00 0.00 0.00 176.54 174.56 1nnq h ILE 77 N -0.06 0.95 -0.40 2.60 2.04 -0.48 0.27 117.51 122.43 1nnq h ILE 77 Ca 0.09 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1nnq h ILE 77 Cb 0.19 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1nnq h ILE 77 CO -0.21 0.10 0.12 -0.33 0.00 0.00 0.00 178.15 177.83 1nnq h GLU 78 N 0.57 0.63 -0.08 2.37 5.08 -1.13 -1.48 114.58 120.53 1nnq h GLU 78 Ca 0.26 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1nnq h GLU 78 Cb 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1nnq h GLU 78 CO -0.18 0.63 -0.07 0.78 -1.00 0.00 0.00 179.01 179.17 1nnq h GLY 79 N 0.50 0.00 1.28 -3.84 0.00 -1.08 -1.01 103.07 98.92 1nnq h GLY 79 Ca 0.13 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1nnq h GLY 79 CO -0.00 -0.08 0.46 0.83 0.00 0.00 0.00 176.54 177.75 1nnq h GLU 80 N -0.08 0.89 -0.23 4.80 4.39 -0.90 -2.15 114.58 121.29 1nnq h GLU 80 Ca 0.06 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1nnq h GLU 80 Cb 0.16 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1nnq h GLU 80 CO -0.13 0.59 -0.50 1.15 -1.16 0.00 0.00 179.01 178.96 1nnq h THR 81 N 0.91 1.30 -0.56 1.13 2.02 -1.01 -1.18 112.91 115.52 1nnq h THR 81 Ca 0.26 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.76 1nnq h THR 81 Cb -0.06 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1nnq h THR 81 CO -0.06 0.54 0.35 0.15 0.37 0.00 0.00 175.52 176.87 1nnq h PHE 82 N 0.47 0.66 -0.42 3.16 3.04 -0.94 -1.31 116.94 121.60 1nnq h PHE 82 Ca 0.00 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.01 1nnq h PHE 82 Cb 1.11 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 1nnq h PHE 82 CO 0.08 0.39 0.18 0.93 -2.02 0.00 0.00 178.31 177.87 1nnq h GLU 83 N 0.70 0.36 -0.05 1.11 5.08 -1.24 0.29 114.58 120.84 1nnq h GLU 83 Ca 0.22 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1nnq h GLU 83 Cb -0.01 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nnq h GLU 83 CO -0.08 0.24 -0.04 0.28 -1.00 0.00 0.00 179.01 178.41 1nnq h VAL 84 N 0.37 1.36 0.00 3.13 2.07 -1.14 -2.06 116.25 119.99 1nnq h VAL 84 Ca 0.19 -1.16 -0.26 0.00 0.82 0.00 0.00 66.70 66.29 1nnq h VAL 84 Cb 0.13 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1nnq h VAL 84 CO -0.16 0.31 -1.79 -0.62 0.02 0.00 0.00 177.57 175.34 1nnq n GLU 85 N -4.77 0.64 0.02 1.57 1.02 -0.50 -4.44 120.64 114.18 1nnq n GLU 85 Ca -0.08 0.19 -0.01 0.00 -0.02 0.00 0.00 57.16 57.24 1nnq n GLU 85 Cb 0.28 -1.73 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1nnq n GLU 85 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnq n GLU 86 N -2.90 0.05 0.20 3.49 -0.58 -0.06 -4.79 120.64 116.04 1nnq n GLU 86 Ca -0.18 0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.50 1nnq n GLU 86 Cb 0.99 -0.47 -0.04 0.00 -0.57 0.00 0.00 31.44 31.35 1nnq n GLU 86 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1nnq h MET 87 N -0.10 -0.52 -0.51 3.49 4.05 -1.18 -3.19 114.93 116.97 1nnq h MET 87 Ca 0.00 0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 1nnq h MET 87 Cb 0.10 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 1nnq h MET 87 CO 0.00 -0.35 -0.04 1.88 0.23 0.00 0.00 176.91 178.64 1nnq h TYR 88 N -0.83 0.96 -0.63 1.39 0.05 -1.63 -0.28 116.97 115.99 1nnq h TYR 88 Ca -0.06 -0.16 0.10 0.00 0.05 0.00 0.00 58.73 58.67 1nnq h TYR 88 Cb 0.41 -0.25 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 1nnq h TYR 88 CO 0.04 0.88 0.24 -1.35 -1.05 0.00 0.00 178.16 176.93 1nnq h PRO 89 N 0.81 0.41 -0.12 4.88 0.11 -1.77 0.98 132.00 137.30 1nnq h PRO 89 Ca 0.15 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1nnq h PRO 89 Cb 0.53 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1nnq h PRO 89 CO 0.03 0.27 -0.04 0.28 -0.21 0.00 0.00 178.00 178.33 1nnq h VAL 90 N 0.42 1.30 -0.41 3.15 2.07 -1.48 -0.50 116.25 120.80 1nnq h VAL 90 Ca 0.32 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1nnq h VAL 90 Cb 0.40 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1nnq h VAL 90 CO -0.32 0.29 0.19 1.88 0.02 0.00 0.00 177.57 179.63 1nnq h TYR 91 N -0.09 0.59 -0.25 1.57 -1.99 -0.94 0.33 116.97 116.19 1nnq h TYR 91 Ca 0.03 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.77 1nnq h TYR 91 Cb 0.47 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.97 1nnq h TYR 91 CO 0.06 0.49 -0.01 -0.97 -0.00 0.00 0.00 178.16 177.73 1nnq h ASN 92 N 0.52 -0.12 -0.83 3.88 -0.73 -0.82 0.25 115.58 117.72 1nnq h ASN 92 Ca 0.14 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 1nnq h ASN 92 Cb 0.13 0.11 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 1nnq h ASN 92 CO -0.02 -0.03 0.39 0.50 -0.37 0.00 0.00 177.43 177.91 1nnq h LYS 93 N 0.06 1.20 -0.31 6.67 1.63 -0.81 -1.62 116.57 123.40 1nnq h LYS 93 Ca 0.12 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1nnq h LYS 93 Cb 0.16 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1nnq h LYS 93 CO -0.21 0.93 0.12 0.00 -3.45 0.00 0.00 179.45 176.83 1nnq h ALA 94 N 1.24 0.40 -0.50 5.00 0.00 -0.68 -1.08 119.26 123.64 1nnq h ALA 94 Ca 0.29 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1nnq h ALA 94 Cb 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1nnq h ALA 94 CO -0.03 0.00 0.29 0.00 0.00 0.00 0.00 179.25 179.51 1nnq h ALA 95 N 0.96 0.64 -0.16 0.00 0.00 -0.76 0.35 119.26 120.29 1nnq h ALA 95 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nnq h ALA 95 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nnq h ALA 95 CO -0.01 -0.02 0.08 1.49 0.00 0.00 0.00 179.25 180.79 1nnq h GLU 96 N 0.57 0.23 -0.52 0.00 4.81 -1.24 0.79 114.58 119.22 1nnq h GLU 96 Ca 0.20 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1nnq h GLU 96 Cb 0.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1nnq h GLU 96 CO -0.10 0.27 0.35 0.35 -0.73 0.00 0.00 179.01 179.14 1nnq h PHE 97 N 0.13 0.55 -0.01 0.92 3.04 -0.97 -2.30 116.94 118.31 1nnq h PHE 97 Ca 0.05 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1nnq h PHE 97 Cb 0.11 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.44 1nnq h PHE 97 CO -0.03 0.32 -0.35 1.04 -2.02 0.00 0.00 178.31 177.27 1nnq n GLN 98 N -4.47 0.69 -1.33 1.11 6.02 0.09 -4.95 117.38 114.55 1nnq n GLN 98 Ca 0.06 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 1nnq n GLN 98 Cb 0.16 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1nnq n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nnq n GLY 99 N 1.38 0.38 3.38 1.08 0.00 -0.23 -5.00 105.19 106.20 1nnq n GLY 99 Ca 0.10 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.65 1nnq n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nnq s GLU 100 N -2.66 3.85 0.37 1.61 0.41 0.10 -4.90 118.70 117.49 1nnq s GLU 100 Ca 0.00 -2.55 0.11 0.00 -0.41 0.00 0.00 54.97 52.12 1nnq s GLU 100 Cb 0.00 -4.68 0.72 0.00 -1.78 0.00 0.00 34.13 28.39 1nnq s GLU 100 CO 0.00 -1.46 1.84 1.57 -0.49 0.00 0.00 175.26 176.72 1nnq h LYS 101 N 7.58 0.11 -0.46 1.61 -0.00 -1.95 0.25 116.57 123.72 1nnq h LYS 101 Ca 0.17 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.65 60.74 1nnq h LYS 101 Cb 0.96 -0.01 -0.02 0.00 -0.00 0.00 0.00 32.23 33.16 1nnq h LYS 101 CO 0.98 0.40 0.09 0.93 -0.00 0.00 0.00 179.45 181.86 1nnq h GLU 102 N 0.10 0.75 -0.38 0.07 4.39 -1.97 -1.55 114.58 115.99 1nnq h GLU 102 Ca 0.01 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 1nnq h GLU 102 Cb 0.58 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1nnq h GLU 102 CO 0.04 0.76 -0.12 0.00 -1.16 0.00 0.00 179.01 178.53 1nnq h ALA 103 N 0.97 1.07 -0.54 3.43 0.00 -1.72 -0.74 119.26 121.73 1nnq h ALA 103 Ca 0.14 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1nnq h ALA 103 Cb 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1nnq h ALA 103 CO 0.01 0.57 0.26 0.28 0.00 0.00 0.00 179.25 180.36 1nnq h VAL 104 N 0.61 0.91 0.31 0.00 2.07 -0.80 -2.12 116.25 117.25 1nnq h VAL 104 Ca 0.11 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1nnq h VAL 104 Cb 0.57 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1nnq h VAL 104 CO 0.04 0.09 -0.15 -0.09 0.02 0.00 0.00 177.57 177.48 1nnq h ARG 105 N 0.49 -0.40 -0.01 1.57 2.43 -0.83 -2.07 114.38 115.56 1nnq h ARG 105 Ca 0.25 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.33 1nnq h ARG 105 Cb 0.19 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1nnq h ARG 105 CO -0.19 -0.21 -0.55 1.79 -1.51 0.00 0.00 179.97 179.29 1nnq h THR 106 N -0.50 1.39 -0.17 0.20 1.35 -1.03 -0.14 112.91 114.01 1nnq h THR 106 Ca -0.04 -1.88 -0.16 0.00 -0.55 0.00 0.00 66.41 63.78 1nnq h THR 106 Cb 0.37 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1nnq h THR 106 CO 0.07 0.54 -0.55 0.71 -0.25 0.00 0.00 175.52 176.04 1nnq h THR 107 N 0.01 1.33 -0.18 6.82 1.35 -1.45 -1.91 112.91 118.88 1nnq h THR 107 Ca -0.00 -1.81 -0.01 0.00 -0.55 0.00 0.00 66.41 64.04 1nnq h THR 107 Cb 0.98 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1nnq h THR 107 CO 0.07 0.56 0.06 -0.74 -0.25 0.00 0.00 175.52 175.22 1nnq h HIS 108 N 0.39 0.29 -0.18 4.73 6.17 -0.90 -0.22 115.15 125.45 1nnq h HIS 108 Ca 0.01 -0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.11 1nnq h HIS 108 Cb 1.08 -0.09 -0.05 0.00 2.52 0.00 0.00 27.41 30.88 1nnq h HIS 108 CO 0.04 0.38 -0.14 1.88 0.71 0.00 0.00 177.93 180.80 1nnq h TYR 109 N 0.12 -0.36 0.48 5.26 -1.99 -1.04 -2.06 116.97 117.38 1nnq h TYR 109 Ca 0.06 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 1nnq h TYR 109 Cb 0.22 0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.14 1nnq h TYR 109 CO -0.00 -0.21 -0.23 0.00 -0.00 0.00 0.00 178.16 177.72 1nnq h ALA 110 N 0.96 -0.65 -0.81 3.88 0.00 -1.26 -3.05 119.26 118.33 1nnq h ALA 110 Ca 0.11 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1nnq h ALA 110 Cb 0.31 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1nnq h ALA 110 CO -0.27 -0.78 -0.48 -0.11 0.00 0.00 0.00 179.25 177.61 1nnq n LEU 111 N -5.31 -0.86 0.13 0.00 7.94 -0.10 -1.69 117.00 117.11 1nnq n LEU 111 Ca -0.11 1.58 0.06 0.00 -1.11 0.00 0.00 56.01 56.42 1nnq n LEU 111 Cb 0.30 -0.25 0.53 0.00 0.53 0.00 0.00 43.42 44.52 1nnq n LEU 111 CO 0.34 -1.24 1.11 -0.33 -1.11 0.00 0.00 177.39 176.15 1nnq h GLU 112 N 0.00 0.27 -0.01 1.96 4.39 -1.36 -2.64 114.58 117.18 1nnq h GLU 112 Ca 0.13 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 59.56 1nnq h GLU 112 Cb 0.33 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1nnq h GLU 112 CO -0.76 0.19 -0.98 0.00 -1.16 0.00 0.00 179.01 176.29 1nnq h ALA 113 N 1.86 0.24 -0.04 3.43 0.00 -1.21 -3.31 119.26 120.22 1nnq h ALA 113 Ca 0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1nnq h ALA 113 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nnq h ALA 113 CO -0.01 0.73 -0.20 0.93 0.00 0.00 0.00 179.25 180.70 1nnq h GLU 114 N 0.35 0.06 -0.81 0.00 4.39 -0.96 -2.72 114.58 114.89 1nnq h GLU 114 Ca -0.11 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1nnq h GLU 114 Cb 1.63 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.22 1nnq h GLU 114 CO 0.19 0.27 0.52 0.87 -1.16 0.00 0.00 179.01 179.69 1nnq h LYS 115 N 0.06 1.00 -0.69 2.33 1.57 -1.63 -1.85 116.57 117.36 1nnq h LYS 115 Ca 0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1nnq h LYS 115 Cb 0.39 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1nnq h LYS 115 CO 0.03 0.66 0.21 0.82 -0.57 0.00 0.00 179.45 180.59 1nnq h ILE 116 N 1.03 1.26 -0.17 1.86 2.04 -1.64 -3.23 117.51 118.66 1nnq h ILE 116 Ca 0.32 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1nnq h ILE 116 Cb -0.01 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1nnq h ILE 116 CO -0.11 0.35 0.08 0.45 0.00 0.00 0.00 178.15 178.92 1nnq h HIS 117 N 1.01 0.24 -0.49 1.37 3.86 -1.13 -2.36 115.15 117.65 1nnq h HIS 117 Ca 0.22 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 1nnq h HIS 117 Cb 0.31 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 1nnq h HIS 117 CO 0.02 0.26 0.20 0.00 0.86 0.00 0.00 177.93 179.27 1nnq h ALA 118 N 0.95 0.61 -0.87 2.45 0.00 -1.49 -1.91 119.26 119.00 1nnq h ALA 118 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nnq h ALA 118 Cb 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1nnq h ALA 118 CO -0.01 -0.19 0.51 1.49 0.00 0.00 0.00 179.25 181.06 1nnq h GLU 119 N 0.39 1.19 -0.41 0.00 4.57 -1.53 0.11 114.58 118.90 1nnq h GLU 119 Ca 0.23 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 1nnq h GLU 119 Cb 0.21 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1nnq h GLU 119 CO -0.21 0.85 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.18 1nnq h LEU 120 N 1.20 0.83 -0.55 1.64 3.38 -1.17 -0.28 115.31 120.37 1nnq h LEU 120 Ca 0.31 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1nnq h LEU 120 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1nnq h LEU 120 CO -0.06 1.02 -0.51 1.88 0.09 0.00 0.00 178.44 180.87 1nnq h TYR 121 N 0.72 0.70 -0.37 1.13 0.99 -1.08 0.51 116.97 119.57 1nnq h TYR 121 Ca 0.10 -0.24 0.01 0.00 2.00 0.00 0.00 58.73 60.61 1nnq h TYR 121 Cb 0.74 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.31 1nnq h TYR 121 CO 0.04 0.96 0.23 -0.09 -0.00 0.00 0.00 178.16 179.30 1nnq h ARG 122 N 0.44 0.45 -0.58 4.88 2.43 -0.79 -0.28 114.38 120.94 1nnq h ARG 122 Ca 0.02 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1nnq h ARG 122 Cb 1.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1nnq h ARG 122 CO 0.10 0.30 -0.02 0.87 -1.51 0.00 0.00 179.97 179.70 1nnq h LYS 123 N 0.47 1.04 -0.08 0.20 6.56 -0.81 -3.00 116.57 120.95 1nnq h LYS 123 Ca 0.14 -0.34 -0.14 0.00 -1.06 0.00 0.00 60.65 59.25 1nnq h LYS 123 Cb -0.02 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 1nnq h LYS 123 CO -0.05 1.04 -0.57 0.00 -2.06 0.00 0.00 179.45 177.81 1nnq h ALA 124 N 0.97 0.88 -0.67 3.86 0.00 -0.74 -3.05 119.26 120.51 1nnq h ALA 124 Ca 0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1nnq h ALA 124 Cb 0.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1nnq h ALA 124 CO 0.03 0.70 0.32 -0.22 0.00 0.00 0.00 179.25 180.08 1nnq h LYS 125 N 0.20 0.97 -0.32 0.00 3.64 -0.98 0.37 116.57 120.45 1nnq h LYS 125 Ca -0.00 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1nnq h LYS 125 Cb 1.05 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 1nnq h LYS 125 CO 0.09 0.77 -0.03 1.49 -2.27 0.00 0.00 179.45 179.50 1nnq h GLU 126 N 0.93 0.05 -0.47 1.90 4.81 -1.43 0.13 114.58 120.51 1nnq h GLU 126 Ca 0.23 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1nnq h GLU 126 Cb 0.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1nnq h GLU 126 CO -0.03 0.03 0.07 0.87 -0.73 0.00 0.00 179.01 179.23 1nnq h LYS 127 N 0.05 0.77 -0.07 1.92 6.56 -1.41 -3.23 116.57 121.17 1nnq h LYS 127 Ca 0.15 -0.21 -0.15 0.00 -1.06 0.00 0.00 60.65 59.38 1nnq h LYS 127 Cb 0.22 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 1nnq h LYS 127 CO -0.28 0.79 -0.61 0.00 -2.06 0.00 0.00 179.45 177.28 1nnq h ALA 128 N 0.95 0.84 -0.19 3.86 0.00 -0.31 -0.41 119.26 124.00 1nnq h ALA 128 Ca 0.14 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1nnq h ALA 128 Cb 0.39 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1nnq h ALA 128 CO 0.01 0.74 -0.11 0.93 0.00 0.00 0.00 179.25 180.82 1nnq h GLU 129 N 0.17 -0.10 -0.96 0.00 3.07 -0.79 -2.46 114.58 113.52 1nnq h GLU 129 Ca -0.01 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1nnq h GLU 129 Cb 1.12 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.97 1nnq h GLU 129 CO 0.10 -0.06 0.18 0.36 -1.40 0.00 0.00 179.01 178.18 1nnq n LYS 130 N -5.27 1.73 -0.89 2.33 2.85 -1.16 -4.88 118.16 112.88 1nnq n LYS 130 Ca -0.02 -1.13 0.00 0.00 -1.05 0.00 0.00 58.31 56.11 1nnq n LYS 130 Cb 0.19 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 1nnq n LYS 130 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nnq n GLY 131 N -0.02 0.76 3.79 2.58 0.00 -0.93 -5.01 105.19 106.37 1nnq n GLY 131 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1nnq n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nnq s GLU 132 N -0.24 4.42 0.81 1.61 2.12 -0.17 -4.97 118.70 122.28 1nnq s GLU 132 Ca 0.00 0.98 -0.11 0.00 0.36 0.00 0.00 54.97 56.20 1nnq s GLU 132 Cb 0.00 -3.25 0.08 0.00 0.26 0.00 0.00 34.13 31.21 1nnq s GLU 132 CO 0.00 0.60 1.09 0.34 -0.54 0.00 0.00 175.26 176.74 1nnq s ASP 133 N -1.11 4.25 0.63 -1.70 3.68 -1.26 -3.01 116.67 118.14 1nnq s ASP 133 Ca 0.33 1.56 -0.13 0.00 2.13 0.00 0.00 52.55 56.44 1nnq s ASP 133 Cb -0.22 -2.29 -0.02 0.00 -1.45 0.00 0.00 42.92 38.94 1nnq s ASP 133 CO 0.23 -2.16 1.04 0.27 0.13 0.00 0.00 175.17 174.69 1nnq s ILE 134 N -2.99 4.19 -0.18 4.11 -4.36 -1.26 -4.90 121.20 115.81 1nnq s ILE 134 Ca 0.61 0.83 -0.08 0.00 -0.26 0.00 0.00 60.65 61.75 1nnq s ILE 134 Cb -0.16 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 39.96 1nnq s ILE 134 CO 0.56 -0.81 0.09 -1.83 0.24 0.00 0.00 174.94 173.19 1nnq s GLU 135 N -4.71 3.98 0.00 0.37 4.04 -1.26 -5.03 118.70 116.09 1nnq s GLU 135 Ca 0.59 -0.28 0.00 0.00 0.04 0.00 0.00 54.97 55.31 1nnq s GLU 135 Cb -0.13 -3.27 0.00 0.00 0.02 0.00 0.00 34.13 30.74 1nnq s GLU 135 CO 0.47 0.34 0.00 0.44 -1.84 0.00 0.00 175.26 174.67 1nnq n ILE 136 N 3.36 0.00 -0.03 1.83 -5.35 -1.26 -5.09 119.36 112.83 1nnq n ILE 136 Ca -0.17 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.17 1nnq n ILE 136 Cb 0.52 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.32 1nnq n ILE 136 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1nnq h LYS 137 N 0.00 0.21 -5.20 6.28 1.63 -1.95 -3.47 116.57 114.08 1nnq h LYS 137 Ca 0.00 -0.19 -0.53 0.00 -0.85 0.00 0.00 60.65 59.08 1nnq h LYS 137 Cb 0.00 0.04 -0.31 0.00 -0.60 0.00 0.00 32.23 31.36 1nnq h LYS 137 CO 0.00 0.86 -0.83 -1.59 -3.45 0.00 0.00 179.45 174.44 1nnq s LYS 138 N -3.49 1.55 -0.07 1.90 0.00 -1.26 -4.34 119.74 114.03 1nnq s LYS 138 Ca -0.15 -0.54 0.01 0.00 0.00 0.00 0.00 55.97 55.29 1nnq s LYS 138 Cb 0.02 -1.38 -0.03 0.00 0.00 0.00 0.00 37.83 36.44 1nnq s LYS 138 CO 0.74 0.23 -0.10 0.08 0.00 0.00 0.00 175.35 176.31 1nnq s VAL 139 N 0.01 3.40 -0.12 1.79 1.01 0.10 0.19 120.40 126.78 1nnq s VAL 139 Ca -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1nnq s VAL 139 Cb -0.10 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1nnq s VAL 139 CO 0.01 0.58 -0.17 -0.31 0.00 0.00 0.00 175.10 175.21 1nnq s TYR 140 N -0.56 2.71 -0.10 5.22 1.51 0.24 -0.04 117.35 126.33 1nnq s TYR 140 Ca 0.08 -0.80 0.02 0.00 -1.01 0.00 0.00 57.07 55.36 1nnq s TYR 140 Cb -0.12 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1nnq s TYR 140 CO 0.02 -0.29 -0.17 0.42 -1.11 0.00 0.00 175.55 174.41 1nnq s ILE 141 N 0.35 1.60 -0.04 2.71 -1.09 -0.05 -0.79 121.20 123.89 1nnq s ILE 141 Ca -0.14 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.26 1nnq s ILE 141 Cb -0.17 -1.44 -0.06 0.00 -1.58 0.00 0.00 42.46 39.22 1nnq s ILE 141 CO 0.07 0.46 1.56 0.00 -1.23 0.00 0.00 174.94 175.80 1nnq n PRO 143 N 6.50 0.31 -0.10 0.00 -0.04 -1.26 -0.84 135.00 139.57 1nnq n PRO 143 Ca 0.16 0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 1nnq n PRO 143 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1nnq n PRO 143 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1nnq n ILE 144 N -1.23 1.13 0.24 0.52 5.41 -1.26 -4.77 119.36 119.40 1nnq n ILE 144 Ca 0.09 -0.34 0.03 0.00 1.00 0.00 0.00 62.75 63.54 1nnq n ILE 144 Cb 0.13 -1.58 -0.01 0.00 -0.71 0.00 0.00 39.64 37.47 1nnq n ILE 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nnq n GLY 146 N 0.86 0.74 3.63 0.00 0.00 -0.02 -4.49 105.19 105.91 1nnq n GLY 146 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 1nnq n GLY 146 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nnq n TYR 147 N -2.49 1.68 -5.22 1.61 9.36 -1.26 -4.55 117.16 116.28 1nnq n TYR 147 Ca 0.00 0.60 -0.32 0.00 3.32 0.00 0.00 57.90 61.51 1nnq n TYR 147 Cb 0.00 -2.34 -0.17 0.00 -0.63 0.00 0.00 39.34 36.20 1nnq n TYR 147 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1nnq s THR 148 N -0.64 2.05 -0.06 2.97 2.01 -1.26 -0.22 115.64 120.50 1nnq s THR 148 Ca 0.63 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1nnq s THR 148 Cb -0.70 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.08 1nnq s THR 148 CO 0.56 0.56 0.13 0.00 -0.69 0.00 0.00 174.62 175.18 1nnq s ALA 149 N 0.27 -0.24 0.04 7.40 0.00 0.03 -4.99 121.76 124.27 1nnq s ALA 149 Ca -0.17 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1nnq s ALA 149 Cb -0.17 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1nnq s ALA 149 CO 0.08 -0.13 0.36 0.14 0.00 0.00 0.00 175.76 176.22 1nnq s VAL 150 N 0.87 5.15 0.00 0.00 -7.23 -1.26 0.81 120.40 118.74 1nnq s VAL 150 Ca -0.07 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 1nnq s VAL 150 Cb -0.09 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1nnq s VAL 150 CO -0.04 0.36 0.00 0.47 -0.31 0.00 0.00 175.10 175.58 1nnq n ASP 151 N 1.13 0.00 -3.85 4.85 10.43 0.52 -4.69 116.55 124.94 1nnq n ASP 151 Ca -0.10 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.03 1nnq n ASP 151 Cb 0.53 0.00 -0.17 0.00 1.84 0.00 0.00 41.12 43.31 1nnq n ASP 151 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1nnq s GLU 152 N 0.00 0.96 0.57 -1.24 2.56 -1.26 -4.79 118.70 115.50 1nnq s GLU 152 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 54.97 54.70 1nnq s GLU 152 Cb 0.00 -1.12 -0.04 0.00 2.00 0.00 0.00 34.13 34.97 1nnq s GLU 152 CO 0.00 -0.22 1.33 0.00 -0.56 0.00 0.00 175.26 175.80 1nnq s ALA 153 N 1.59 2.70 0.65 6.30 0.00 -1.26 -4.89 121.76 126.84 1nnq s ALA 153 Ca 0.00 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1nnq s ALA 153 Cb -0.13 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1nnq s ALA 153 CO -0.04 -1.40 1.04 -1.25 0.00 0.00 0.00 175.76 174.11 1nnq s PRO 154 N -3.04 3.32 0.38 0.00 0.04 -1.26 -4.96 135.00 129.48 1nnq s PRO 154 Ca 0.74 0.84 0.05 0.00 0.04 0.00 0.00 61.00 62.67 1nnq s PRO 154 Cb -0.39 -2.04 0.74 0.00 0.04 0.00 0.00 34.50 32.85 1nnq s PRO 154 CO 0.45 -0.80 2.03 0.93 0.04 0.00 0.00 177.00 179.65 1nnq h GLU 155 N -0.49 0.70 -3.83 4.56 4.39 -1.96 -3.37 114.58 114.59 1nnq h GLU 155 Ca -0.44 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.10 1nnq h GLU 155 Cb 1.20 -0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 29.52 1nnq h GLU 155 CO 0.60 0.46 -0.52 1.52 -1.16 0.00 0.00 179.01 179.92 1nnq s TYR 156 N -5.62 0.21 -0.08 4.33 -0.85 -1.26 -1.09 117.35 112.99 1nnq s TYR 156 Ca -0.09 -0.54 -0.29 0.00 -0.52 0.00 0.00 57.07 55.62 1nnq s TYR 156 Cb 0.18 -0.15 -0.06 0.00 0.38 0.00 0.00 41.96 42.31 1nnq s TYR 156 CO 0.75 -0.39 1.87 0.00 -1.52 0.00 0.00 175.55 176.26 1nnq n PRO 158 N 7.66 0.14 -0.11 0.00 -0.04 -1.26 -0.65 135.00 140.73 1nnq n PRO 158 Ca 0.21 0.45 -0.24 0.00 -0.04 0.00 0.00 63.50 63.87 1nnq n PRO 158 Cb 0.43 -1.80 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 1nnq n PRO 158 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nnq n VAL 159 N -2.06 1.53 0.16 0.52 0.31 -1.26 -4.70 118.33 112.83 1nnq n VAL 159 Ca 0.01 -0.13 0.04 0.00 -0.01 0.00 0.00 64.34 64.26 1nnq n VAL 159 Cb 0.16 -2.01 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 1nnq n VAL 159 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nnq n GLY 161 N 1.67 0.74 3.77 0.00 0.00 0.18 -5.02 105.19 106.53 1nnq n GLY 161 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nnq n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnq s ALA 162 N -2.46 3.30 0.45 4.61 0.00 -1.26 -4.47 121.76 121.93 1nnq s ALA 162 Ca 0.00 1.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 1nnq s ALA 162 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1nnq s ALA 162 CO 0.00 -0.84 1.38 -1.25 0.00 0.00 0.00 175.76 175.05 1nnq s PRO 163 N -2.20 3.68 0.30 0.00 0.04 -1.26 -0.16 135.00 135.40 1nnq s PRO 163 Ca 0.56 2.31 0.21 0.00 0.04 0.00 0.00 61.00 64.12 1nnq s PRO 163 Cb -0.39 -2.61 1.06 0.00 0.04 0.00 0.00 34.50 32.59 1nnq s PRO 163 CO 0.51 -0.79 1.15 1.17 0.04 0.00 0.00 177.00 179.08 1nnq n LYS 164 N -0.25 -0.03 0.00 4.56 4.81 -0.25 -0.81 118.16 126.19 1nnq n LYS 164 Ca 0.06 0.95 0.13 0.00 -0.87 0.00 0.00 58.31 58.58 1nnq n LYS 164 Cb 0.43 -1.81 0.61 0.00 0.02 0.00 0.00 35.03 34.27 1nnq n LYS 164 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1nnq n GLU 165 N -4.33 0.07 0.15 1.64 4.71 -1.26 -2.72 120.64 118.90 1nnq n GLU 165 Ca 0.29 0.03 0.09 0.00 -0.01 0.00 0.00 57.16 57.56 1nnq n GLU 165 Cb 1.08 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 30.07 1nnq n GLU 165 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1nnq h LYS 166 N 0.00 0.00 -6.67 3.49 1.63 -1.33 -3.47 116.57 110.22 1nnq h LYS 166 Ca 0.00 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.23 1nnq h LYS 166 Cb 0.44 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 32.16 1nnq h LYS 166 CO 0.00 0.09 0.59 1.19 -3.45 0.00 0.00 179.45 177.87 1nnq n PHE 167 N -2.95 2.26 -3.05 1.91 3.72 -1.10 -4.51 117.46 113.73 1nnq n PHE 167 Ca 0.01 0.47 -0.40 0.00 -0.05 0.00 0.00 57.45 57.48 1nnq n PHE 167 Cb 0.59 -2.45 -0.05 0.00 -0.94 0.00 0.00 39.48 36.63 1nnq n PHE 167 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1nnq s VAL 168 N -0.48 4.97 -0.16 -4.37 1.01 0.38 -4.87 120.40 116.89 1nnq s VAL 168 Ca 0.63 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 63.99 1nnq s VAL 168 Cb -0.60 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 1nnq s VAL 168 CO 0.55 0.29 0.11 0.54 0.00 0.00 0.00 175.10 176.59 1nnq s VAL 169 N 0.52 5.20 -0.24 2.92 0.11 -1.26 -0.87 120.40 126.78 1nnq s VAL 169 Ca 0.37 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.54 1nnq s VAL 169 Cb -0.18 -3.31 0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1nnq s VAL 169 CO 0.19 0.53 -0.12 -0.36 -3.33 0.00 0.00 175.10 172.00 1nnq s PHE 170 N -0.27 3.10 0.00 1.54 0.40 0.95 -4.98 117.98 118.71 1nnq s PHE 170 Ca 0.10 -2.00 0.00 0.00 -0.60 0.00 0.00 56.93 54.43 1nnq s PHE 170 Cb -0.12 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1nnq s PHE 170 CO 0.01 -0.83 0.13 -0.85 0.70 0.00 0.00 175.22 174.38