#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfn n GLN 24 N 0.00 0.00 0.13 1.61 -0.06 -1.26 -5.05 117.38 112.75 1nfn n GLN 24 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 1nfn n GLN 24 Cb 0.00 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 1nfn n GLN 24 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nfn h ARG 25 N 0.00 -0.39 0.00 3.69 3.08 -1.99 -0.31 114.38 118.46 1nfn h ARG 25 Ca 0.00 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1nfn h ARG 25 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1nfn h ARG 25 CO 0.00 -0.26 -0.18 0.11 -1.07 0.00 0.00 179.97 178.57 1nfn h TRP 26 N -0.40 0.00 -0.17 3.04 5.08 -1.91 -1.28 115.95 120.31 1nfn h TRP 26 Ca 0.01 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.81 1nfn h TRP 26 Cb 0.40 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.55 1nfn h TRP 26 CO -0.16 0.18 -0.60 0.93 -1.28 0.00 0.00 178.44 177.51 1nfn h GLU 27 N 0.00 0.57 -0.23 0.12 5.08 -1.51 -0.88 114.58 117.73 1nfn h GLU 27 Ca -0.00 -0.38 -0.20 0.00 -1.00 0.00 0.00 59.36 57.78 1nfn h GLU 27 Cb 0.39 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1nfn h GLU 27 CO 0.02 1.00 -0.63 -0.07 -1.00 0.00 0.00 179.01 178.33 1nfn h LEU 28 N 0.43 0.95 -0.41 1.33 4.07 -0.76 -1.54 115.31 119.38 1nfn h LEU 28 Ca -0.00 -0.57 -0.09 0.00 0.08 0.00 0.00 57.88 57.29 1nfn h LEU 28 Cb 1.16 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1nfn h LEU 28 CO 0.11 1.36 -0.10 0.00 -1.08 0.00 0.00 178.44 178.73 1nfn h ALA 29 N 0.62 0.56 -1.00 1.53 0.00 -1.19 -2.02 119.26 117.76 1nfn h ALA 29 Ca -0.01 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1nfn h ALA 29 Cb 1.25 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1nfn h ALA 29 CO 0.14 0.44 0.65 1.25 0.00 0.00 0.00 179.25 181.72 1nfn h LEU 30 N 0.60 1.09 -1.48 0.00 5.85 -1.13 -1.67 115.31 118.57 1nfn h LEU 30 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1nfn h LEU 30 Cb 0.63 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1nfn h LEU 30 CO 0.04 0.75 0.10 1.23 -0.34 0.00 0.00 178.44 180.22 1nfn h GLY 31 N 1.26 0.48 1.20 3.75 0.00 -0.99 -0.42 103.07 108.34 1nfn h GLY 31 Ca 0.39 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1nfn h GLY 31 CO -0.12 0.22 -0.25 3.21 0.00 0.00 0.00 176.54 179.59 1nfn h ARG 32 N 0.44 0.91 -0.45 4.80 3.08 -0.59 0.82 114.38 123.39 1nfn h ARG 32 Ca 0.11 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.69 1nfn h ARG 32 Cb 0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1nfn h ARG 32 CO -0.01 1.06 0.01 0.35 -1.07 0.00 0.00 179.97 180.31 1nfn h PHE 33 N 0.78 0.86 -0.13 3.04 3.04 -0.96 -1.15 116.94 122.42 1nfn h PHE 33 Ca 0.10 -0.15 0.02 0.00 3.98 0.00 0.00 57.97 61.92 1nfn h PHE 33 Cb 0.82 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.08 1nfn h PHE 33 CO 0.05 0.84 0.02 2.35 -2.02 0.00 0.00 178.31 179.54 1nfn h TRP 34 N 0.64 0.03 -0.60 0.41 2.91 -0.87 -0.45 115.95 118.02 1nfn h TRP 34 Ca 0.13 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.10 1nfn h TRP 34 Cb 0.49 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.12 1nfn h TRP 34 CO 0.04 0.00 0.13 -0.44 -1.03 0.00 0.00 178.44 177.14 1nfn h ASP 35 N 0.07 0.93 -0.35 2.65 3.32 -0.76 0.13 116.42 122.41 1nfn h ASP 35 Ca 0.06 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1nfn h ASP 35 Cb 0.06 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1nfn h ASP 35 CO -0.09 0.93 0.19 0.22 -1.72 0.00 0.00 179.24 178.77 1nfn h TYR 36 N 0.89 0.48 -0.32 4.55 5.03 -0.90 -1.81 116.97 124.89 1nfn h TYR 36 Ca 0.19 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1nfn h TYR 36 Cb 0.38 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 1nfn h TYR 36 CO 0.03 0.39 -0.13 1.25 -1.32 0.00 0.00 178.16 178.38 1nfn h LEU 37 N 0.44 0.54 -0.90 2.82 5.85 -0.93 -0.80 115.31 122.33 1nfn h LEU 37 Ca 0.12 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1nfn h LEU 37 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1nfn h LEU 37 CO -0.02 0.70 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.64 1nfn h ARG 38 N 0.51 0.76 -0.07 1.25 2.43 -0.67 -0.56 114.38 118.02 1nfn h ARG 38 Ca 0.09 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1nfn h ARG 38 Cb 0.52 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1nfn h ARG 38 CO 0.03 0.80 0.04 2.35 -1.51 0.00 0.00 179.97 181.68 1nfn h TRP 39 N 0.70 0.10 -1.00 2.20 7.01 -0.64 -2.88 115.95 121.43 1nfn h TRP 39 Ca 0.13 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.25 1nfn h TRP 39 Cb 0.50 -0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.45 1nfn h TRP 39 CO 0.03 0.14 0.63 0.28 -2.79 0.00 0.00 178.44 176.72 1nfn h VAL 40 N 0.03 0.91 -0.88 2.65 2.07 -0.68 -0.33 116.25 120.02 1nfn h VAL 40 Ca 0.02 -0.34 0.20 0.00 0.82 0.00 0.00 66.70 67.41 1nfn h VAL 40 Cb 0.07 -0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.63 1nfn h VAL 40 CO -0.00 0.18 0.59 -0.61 0.02 0.00 0.00 177.57 177.74 1nfn h GLN 41 N 0.98 0.35 0.00 1.57 5.75 -0.89 -0.25 115.11 122.62 1nfn h GLN 41 Ca 0.50 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.96 1nfn h GLN 41 Cb 0.51 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.98 1nfn h GLN 41 CO -0.27 0.23 -0.08 1.79 -2.65 0.00 0.00 178.83 177.86 1nfn h THR 42 N 0.36 0.46 -6.53 2.39 1.35 -1.02 -3.46 112.91 106.47 1nfn h THR 42 Ca 0.45 -0.40 -0.51 0.00 -0.55 0.00 0.00 66.41 65.40 1nfn h THR 42 Cb 1.18 1.27 -0.11 0.00 -1.73 0.00 0.00 68.15 68.76 1nfn h THR 42 CO -0.15 0.08 -0.83 0.18 -0.25 0.00 0.00 175.52 174.55 1nfn n LEU 43 N -3.57 -2.15 -4.64 3.87 4.77 -0.11 -4.95 117.00 110.23 1nfn n LEU 43 Ca -0.02 -0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 54.72 1nfn n LEU 43 Cb 0.20 -2.28 0.23 0.00 -2.33 0.00 0.00 43.42 39.25 1nfn n LEU 43 CO 0.28 0.38 0.65 -0.94 -1.33 0.00 0.00 177.39 176.44 1nfn s SER 44 N -3.65 1.21 0.15 -1.43 1.04 -1.26 -4.63 113.70 105.13 1nfn s SER 44 Ca 0.48 0.59 -0.20 0.00 0.48 0.00 0.00 55.95 57.31 1nfn s SER 44 Cb -0.25 -0.82 0.05 0.00 0.10 0.00 0.00 66.02 65.10 1nfn s SER 44 CO 0.89 -3.94 1.66 -0.33 0.98 0.00 0.00 173.24 172.49 1nfn h GLU 45 N -2.46 -0.10 -0.58 4.02 4.39 -2.00 -0.72 114.58 117.12 1nfn h GLU 45 Ca -0.45 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.21 1nfn h GLU 45 Cb 1.29 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 1nfn h GLU 45 CO 0.35 -0.07 0.15 1.96 -1.16 0.00 0.00 179.01 180.24 1nfn h GLN 46 N -0.11 0.90 -0.35 2.33 1.08 -2.00 -1.42 115.11 115.54 1nfn h GLN 46 Ca 0.16 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1nfn h GLN 46 Cb 0.34 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1nfn h GLN 46 CO -0.37 0.80 0.16 0.28 -0.95 0.00 0.00 178.83 178.75 1nfn h VAL 47 N 0.87 1.17 -0.90 -0.54 2.07 -1.72 -2.15 116.25 115.05 1nfn h VAL 47 Ca 0.19 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1nfn h VAL 47 Cb 0.30 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1nfn h VAL 47 CO -0.00 0.18 0.59 1.56 0.02 0.00 0.00 177.57 179.92 1nfn h GLN 48 N 0.43 1.19 0.49 1.57 4.20 -0.76 0.17 115.11 122.40 1nfn h GLN 48 Ca 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1nfn h GLN 48 Cb 0.14 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1nfn h GLN 48 CO -0.01 0.79 -0.31 0.93 -0.67 0.00 0.00 178.83 179.55 1nfn h GLU 49 N 1.22 -0.75 -0.51 1.46 4.39 -1.03 -2.77 114.58 116.59 1nfn h GLU 49 Ca 0.33 0.05 0.13 0.00 0.34 0.00 0.00 59.36 60.21 1nfn h GLU 49 Cb -0.14 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1nfn h GLU 49 CO -0.07 -0.50 0.36 0.93 -1.16 0.00 0.00 179.01 178.57 1nfn h GLU 50 N -0.77 0.11 0.00 2.33 5.08 -0.94 -1.76 114.58 118.64 1nfn h GLU 50 Ca -0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1nfn h GLU 50 Cb 0.64 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1nfn h GLU 50 CO 0.05 0.08 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.99 1nfn h LEU 51 N 0.12 0.00 -0.29 1.33 3.38 -0.38 -2.93 115.31 116.53 1nfn h LEU 51 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1nfn h LEU 51 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1nfn h LEU 51 CO -0.03 0.08 -0.34 0.18 0.09 0.00 0.00 178.44 178.42 1nfn n LEU 52 N -3.22 0.80 0.00 1.67 4.77 -0.66 -4.59 117.00 115.76 1nfn n LEU 52 Ca 0.00 -0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 1nfn n LEU 52 Cb 0.34 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1nfn n LEU 52 CO 0.29 0.16 0.18 -1.54 -1.33 0.00 0.00 177.39 175.15 1nfn n SER 53 N -0.99 2.03 -1.30 -1.43 3.41 -1.11 -5.03 113.62 109.20 1nfn n SER 53 Ca 0.10 -2.37 0.11 0.00 -0.26 0.00 0.00 58.87 56.45 1nfn n SER 53 Cb 0.34 -0.19 0.31 0.00 -0.26 0.00 0.00 64.21 64.41 1nfn n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nfn n SER 54 N -2.18 3.77 -0.17 4.04 3.41 -1.26 -4.49 113.62 116.74 1nfn n SER 54 Ca 0.06 -2.01 -0.02 0.00 -0.26 0.00 0.00 58.87 56.64 1nfn n SER 54 Cb 0.49 -0.47 0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1nfn n SER 54 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1nfn h GLN 55 N 4.10 0.34 -0.03 4.33 4.15 -1.94 -0.13 115.11 125.92 1nfn h GLN 55 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1nfn h GLN 55 Cb 0.95 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 1nfn h GLN 55 CO 0.00 0.22 0.00 0.28 -1.93 0.00 0.00 178.83 177.41 1nfn h VAL 56 N 0.35 1.23 0.00 2.39 2.07 -1.78 -0.05 116.25 120.45 1nfn h VAL 56 Ca 0.26 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1nfn h VAL 56 Cb 0.31 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1nfn h VAL 56 CO -0.28 0.19 -0.17 0.71 0.02 0.00 0.00 177.57 178.04 1nfn h THR 57 N -0.22 0.71 0.13 2.57 1.35 -1.85 -1.19 112.91 114.42 1nfn h THR 57 Ca 0.01 -0.69 -0.28 0.00 -0.55 0.00 0.00 66.41 64.90 1nfn h THR 57 Cb 0.30 1.43 0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1nfn h THR 57 CO 0.00 0.16 -1.24 1.56 -0.25 0.00 0.00 175.52 175.75 1nfn h GLN 58 N 0.00 0.38 -0.64 4.72 4.20 -0.80 -1.56 115.11 121.41 1nfn h GLN 58 Ca -0.00 -0.59 -0.06 0.00 0.06 0.00 0.00 58.65 58.06 1nfn h GLN 58 Cb 0.41 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1nfn h GLN 58 CO 0.02 1.26 0.16 0.93 -0.67 0.00 0.00 178.83 180.53 1nfn h GLU 59 N 0.13 1.02 -0.53 1.46 5.08 -0.47 -2.03 114.58 119.24 1nfn h GLU 59 Ca -0.15 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1nfn h GLU 59 Cb 1.94 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 1nfn h GLU 59 CO 0.22 0.92 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.99 1nfn h LEU 60 N 0.94 0.96 -0.59 1.33 3.38 -1.29 -2.10 115.31 117.94 1nfn h LEU 60 Ca 0.20 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1nfn h LEU 60 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1nfn h LEU 60 CO 0.00 1.06 0.24 -0.09 0.09 0.00 0.00 178.44 179.74 1nfn h ARG 61 N 0.87 0.87 -0.54 1.13 9.65 -0.99 0.18 114.38 125.55 1nfn h ARG 61 Ca 0.14 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1nfn h ARG 61 Cb 0.62 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1nfn h ARG 61 CO 0.04 0.75 0.23 0.00 2.80 0.00 0.00 179.97 183.79 1nfn h ALA 62 N 1.08 0.70 -0.27 2.80 0.00 -1.28 -0.97 119.26 121.33 1nfn h ALA 62 Ca 0.20 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1nfn h ALA 62 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nfn h ALA 62 CO -0.02 0.30 -0.26 -0.07 0.00 0.00 0.00 179.25 179.20 1nfn h LEU 63 N 0.73 0.53 -0.33 0.00 3.38 -1.01 -1.46 115.31 117.15 1nfn h LEU 63 Ca 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nfn h LEU 63 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1nfn h LEU 63 CO -0.02 0.78 0.08 -0.03 0.09 0.00 0.00 178.44 179.34 1nfn h MET 64 N 0.46 0.52 -0.54 1.13 4.05 -0.49 -1.22 114.93 118.84 1nfn h MET 64 Ca 0.07 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1nfn h MET 64 Cb 0.69 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 1nfn h MET 64 CO 0.05 0.58 0.22 -0.44 0.23 0.00 0.00 176.91 177.56 1nfn h ASP 65 N 0.37 0.75 -0.41 1.39 3.32 -0.92 -0.64 116.42 120.28 1nfn h ASP 65 Ca 0.10 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1nfn h ASP 65 Cb 0.29 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1nfn h ASP 65 CO 0.00 0.71 0.26 -0.08 -1.72 0.00 0.00 179.24 178.41 1nfn h GLU 66 N 0.74 0.52 -0.60 3.56 4.81 -1.18 -0.66 114.58 121.76 1nfn h GLU 66 Ca 0.18 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1nfn h GLU 66 Cb 0.19 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1nfn h GLU 66 CO -0.02 0.34 0.39 1.15 -0.73 0.00 0.00 179.01 180.15 1nfn h THR 67 N 0.53 1.14 -0.08 0.32 2.02 -0.64 -1.56 112.91 114.65 1nfn h THR 67 Ca 0.16 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 1nfn h THR 67 Cb -0.04 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1nfn h THR 67 CO -0.05 0.15 -0.58 0.24 0.37 0.00 0.00 175.52 175.64 1nfn h MET 68 N 0.80 0.27 0.24 6.66 2.86 -0.83 -1.39 114.93 123.55 1nfn h MET 68 Ca 0.22 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1nfn h MET 68 Cb -0.08 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1nfn h MET 68 CO -0.06 0.78 -0.12 -0.22 1.06 0.00 0.00 176.91 178.36 1nfn h LYS 69 N 0.20 -0.31 -0.77 1.72 3.64 -0.81 -1.56 116.57 118.68 1nfn h LYS 69 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1nfn h LYS 69 Cb 1.08 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1nfn h LYS 69 CO 0.09 -0.19 0.40 0.93 -2.27 0.00 0.00 179.45 178.41 1nfn h GLU 70 N -0.35 1.08 -0.55 1.90 4.39 -1.21 -1.60 114.58 118.23 1nfn h GLU 70 Ca -0.03 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1nfn h GLU 70 Cb 0.27 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1nfn h GLU 70 CO 0.05 0.81 0.17 1.25 -1.16 0.00 0.00 179.01 180.14 1nfn h LEU 71 N 1.08 0.81 -0.62 1.33 6.46 -1.04 -0.74 115.31 122.59 1nfn h LEU 71 Ca 0.27 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1nfn h LEU 71 Cb 0.06 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 1nfn h LEU 71 CO -0.04 0.80 0.35 0.11 -0.62 0.00 0.00 178.44 179.04 1nfn h LYS 72 N 0.77 0.86 -0.59 1.25 1.79 -0.94 -0.72 116.57 119.01 1nfn h LYS 72 Ca 0.18 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1nfn h LYS 72 Cb 0.28 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1nfn h LYS 72 CO -0.01 0.65 0.13 0.00 -1.08 0.00 0.00 179.45 179.15 1nfn h ALA 73 N 1.17 1.13 -0.38 3.86 0.00 -1.02 -2.39 119.26 121.62 1nfn h ALA 73 Ca 0.22 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nfn h ALA 73 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nfn h ALA 73 CO -0.04 0.58 -0.03 -0.92 0.00 0.00 0.00 179.25 178.84 1nfn h TYR 74 N 0.88 0.77 -0.53 0.00 3.20 -0.85 -1.66 116.97 118.78 1nfn h TYR 74 Ca 0.19 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1nfn h TYR 74 Cb 0.33 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1nfn h TYR 74 CO 0.02 0.81 -0.12 -0.22 -1.64 0.00 0.00 178.16 177.01 1nfn h LYS 75 N 0.51 1.01 -0.49 1.82 3.64 -1.06 -0.87 116.57 121.12 1nfn h LYS 75 Ca 0.10 -0.38 0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1nfn h LYS 75 Cb 0.52 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1nfn h LYS 75 CO 0.03 1.07 0.22 1.03 -2.27 0.00 0.00 179.45 179.53 1nfn h SER 76 N 0.88 0.30 0.22 4.20 0.87 -1.31 -1.07 113.55 117.65 1nfn h SER 76 Ca 0.13 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 1nfn h SER 76 Cb 0.69 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1nfn h SER 76 CO 0.05 0.21 -0.50 -0.33 -0.53 0.00 0.00 176.83 175.73 1nfn h GLU 77 N 0.44 0.32 0.00 2.24 5.08 -1.22 -2.83 114.58 118.60 1nfn h GLU 77 Ca 0.22 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1nfn h GLU 77 Cb 0.17 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1nfn h GLU 77 CO -0.18 0.75 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.25 1nfn h LEU 78 N 0.25 0.00 -2.58 1.33 -0.00 -0.38 -1.33 115.31 112.60 1nfn h LEU 78 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1nfn h LEU 78 Cb 0.97 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1nfn h LEU 78 CO 0.08 0.25 -0.00 -0.33 -0.00 0.00 0.00 178.44 178.44 1nfn h GLU 79 N 0.00 0.00 -0.00 1.13 3.07 -0.96 -1.64 114.58 116.18 1nfn h GLU 79 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nfn h GLU 79 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1nfn h GLU 79 CO 0.03 0.00 -0.01 0.39 -1.40 0.00 0.00 179.01 178.03 1nfn n GLU 80 N -3.65 1.02 -0.04 2.33 -0.58 -0.50 -5.13 120.64 114.09 1nfn n GLU 80 Ca -0.03 -0.17 -0.04 0.00 -0.42 0.00 0.00 57.16 56.50 1nfn n GLU 80 Cb 0.08 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.40 1nfn n GLU 80 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1nfn n GLN 81 N -0.84 2.79 0.00 3.49 0.00 -0.62 -5.15 117.38 117.05 1nfn n GLN 81 Ca 0.21 -0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.21 1nfn n GLN 81 Cb 0.17 -1.19 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1nfn n GLN 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1nfn n ARG 92 N -2.27 0.00 0.03 3.69 0.63 -1.26 -4.89 116.66 112.58 1nfn n ARG 92 Ca -0.12 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.82 1nfn n ARG 92 Cb 0.73 0.00 0.34 0.00 0.45 0.00 0.00 32.46 33.98 1nfn n ARG 92 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1nfn h LEU 93 N 0.00 0.43 -0.42 6.15 4.07 -2.05 -0.81 115.31 122.68 1nfn h LEU 93 Ca 0.00 -0.07 -0.18 0.00 0.08 0.00 0.00 57.88 57.71 1nfn h LEU 93 Cb 0.00 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 1nfn h LEU 93 CO 0.00 0.49 -0.67 -1.28 -1.08 0.00 0.00 178.44 175.89 1nfn h SER 94 N 0.45 0.56 1.50 -0.43 0.87 -2.04 -1.65 113.55 112.81 1nfn h SER 94 Ca 0.10 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1nfn h SER 94 Cb 0.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1nfn h SER 94 CO 0.01 1.08 -0.17 0.50 -0.53 0.00 0.00 176.83 177.72 1nfn h LYS 95 N 0.35 0.00 0.02 2.24 3.64 -1.89 0.21 116.57 121.14 1nfn h LYS 95 Ca -0.02 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 1nfn h LYS 95 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1nfn h LYS 95 CO 0.12 0.17 -1.14 0.93 -2.27 0.00 0.00 179.45 177.26 1nfn h GLU 96 N 0.00 0.04 -0.01 1.90 5.08 -0.98 -2.93 114.58 117.70 1nfn h GLU 96 Ca -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nfn h GLU 96 Cb 0.96 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1nfn h GLU 96 CO 0.02 0.97 -0.04 1.25 -1.00 0.00 0.00 179.01 180.20 1nfn h LEU 97 N 0.01 0.05 -1.75 1.33 5.85 -1.10 -1.92 115.31 117.78 1nfn h LEU 97 Ca -0.07 -0.71 0.18 0.00 0.84 0.00 0.00 57.88 58.12 1nfn h LEU 97 Cb 1.84 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.81 1nfn h LEU 97 CO 0.13 0.75 0.51 -0.61 -0.34 0.00 0.00 178.44 178.89 1nfn h GLN 98 N -0.65 0.23 0.04 1.25 -0.00 -1.05 0.74 115.11 115.67 1nfn h GLN 98 Ca -0.00 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.65 58.35 1nfn h GLN 98 Cb 0.75 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 28.15 1nfn h GLN 98 CO 0.01 0.15 -1.50 0.00 0.00 0.00 0.00 178.83 177.49 1nfn h ALA 99 N 1.65 0.52 0.00 3.38 0.00 -1.51 -1.93 119.26 121.37 1nfn h ALA 99 Ca 0.37 -1.23 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 1nfn h ALA 99 Cb 1.09 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1nfn h ALA 99 CO -0.08 1.38 -0.48 0.00 0.00 0.00 0.00 179.25 180.07 1nfn h ALA 100 N 0.82 1.15 -0.27 0.00 0.00 -0.62 -0.96 119.26 119.37 1nfn h ALA 100 Ca -0.21 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.08 1nfn h ALA 100 Cb 1.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1nfn h ALA 100 CO 0.11 0.60 -0.54 1.96 0.00 0.00 0.00 179.25 181.38 1nfn h GLN 101 N 0.00 0.85 -0.71 0.00 4.20 -0.89 -3.01 115.11 115.55 1nfn h GLN 101 Ca -0.00 -0.55 -0.06 0.00 0.06 0.00 0.00 58.65 58.10 1nfn h GLN 101 Cb 0.88 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 1nfn h GLN 101 CO 0.06 1.18 0.21 0.00 -0.67 0.00 0.00 178.83 179.61 1nfn h ALA 102 N 0.66 1.03 -0.30 3.87 0.00 -0.94 -2.25 119.26 121.33 1nfn h ALA 102 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1nfn h ALA 102 Cb 1.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1nfn h ALA 102 CO 0.12 0.65 0.10 0.00 0.00 0.00 0.00 179.25 180.12 1nfn h ARG 103 N 1.06 0.22 -0.50 0.00 3.08 -1.12 -1.20 114.38 115.93 1nfn h ARG 103 Ca 0.23 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1nfn h ARG 103 Cb 0.31 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1nfn h ARG 103 CO -0.01 0.15 0.33 1.25 -1.07 0.00 0.00 179.97 180.62 1nfn h LEU 104 N 0.23 0.57 -0.39 3.04 6.46 -1.38 -0.03 115.31 123.80 1nfn h LEU 104 Ca 0.14 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1nfn h LEU 104 Cb 0.11 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1nfn h LEU 104 CO -0.15 0.41 0.22 1.23 -0.62 0.00 0.00 178.44 179.54 1nfn h GLY 105 N 0.68 0.58 1.55 3.75 0.00 -0.92 -1.67 103.07 107.04 1nfn h GLY 105 Ca 0.18 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1nfn h GLY 105 CO -0.04 0.25 -0.23 0.00 0.00 0.00 0.00 176.54 176.52 1nfn h ALA 106 N 1.08 1.09 -0.50 3.60 0.00 -0.91 -1.88 119.26 121.75 1nfn h ALA 106 Ca 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1nfn h ALA 106 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1nfn h ALA 106 CO -0.02 0.56 0.02 -0.44 0.00 0.00 0.00 179.25 179.36 1nfn h ASP 107 N 0.46 0.84 -0.52 0.00 3.32 -0.72 0.67 116.42 120.47 1nfn h ASP 107 Ca 0.07 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 1nfn h ASP 107 Cb 0.65 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1nfn h ASP 107 CO 0.05 0.93 0.13 0.24 -1.72 0.00 0.00 179.24 178.87 1nfn h MET 108 N 0.73 0.84 -0.61 3.56 2.86 -1.03 -2.35 114.93 118.92 1nfn h MET 108 Ca 0.14 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1nfn h MET 108 Cb 0.49 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1nfn h MET 108 CO 0.02 0.79 0.16 0.93 1.06 0.00 0.00 176.91 179.87 1nfn h GLU 109 N 0.73 0.95 -0.80 1.72 5.08 -1.15 -2.70 114.58 118.42 1nfn h GLU 109 Ca 0.17 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nfn h GLU 109 Cb 0.33 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1nfn h GLU 109 CO 0.00 0.84 0.52 -0.44 -1.00 0.00 0.00 179.01 178.93 1nfn h ASP 110 N 0.91 0.92 0.24 1.42 3.32 -0.57 -0.67 116.42 122.00 1nfn h ASP 110 Ca 0.20 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1nfn h ASP 110 Cb 0.31 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1nfn h ASP 110 CO -0.00 0.67 -0.12 0.58 -1.72 0.00 0.00 179.24 178.65 1nfn h VAL 111 N 1.08 0.79 -0.77 -1.35 2.07 -1.18 -1.62 116.25 115.26 1nfn h VAL 111 Ca 0.29 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1nfn h VAL 111 Cb -0.11 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1nfn h VAL 111 CO -0.06 0.04 0.48 0.00 0.02 0.00 0.00 177.57 178.05 1nfn h GLY 113 N 0.91 0.97 1.63 0.00 0.00 -1.00 0.22 103.07 105.80 1nfn h GLY 113 Ca 0.32 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 1nfn h GLY 113 CO -0.14 0.29 -0.55 -0.09 0.00 0.00 0.00 176.54 176.05 1nfn h ARG 114 N 0.85 0.39 -0.36 4.80 9.65 -0.27 -1.34 114.38 128.10 1nfn h ARG 114 Ca 0.28 -0.25 -0.16 0.00 -1.10 0.00 0.00 59.98 58.76 1nfn h ARG 114 Cb 0.07 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1nfn h ARG 114 CO -0.08 0.84 -0.39 -0.07 2.80 0.00 0.00 179.97 183.06 1nfn h LEU 115 N 0.30 0.97 -0.32 3.80 3.38 -0.26 -2.07 115.31 121.10 1nfn h LEU 115 Ca 0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1nfn h LEU 115 Cb 1.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1nfn h LEU 115 CO 0.09 1.25 0.19 0.58 0.09 0.00 0.00 178.44 180.64 1nfn h VAL 116 N 0.71 1.12 -0.87 1.22 2.07 -0.57 -2.37 116.25 117.55 1nfn h VAL 116 Ca 0.05 -0.28 0.13 0.00 0.82 0.00 0.00 66.70 67.42 1nfn h VAL 116 Cb 0.99 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 1nfn h VAL 116 CO 0.10 0.12 0.48 -0.61 0.02 0.00 0.00 177.57 177.68 1nfn h GLN 117 N 0.42 0.72 -0.28 1.57 4.15 -1.07 -2.04 115.11 118.58 1nfn h GLN 117 Ca 0.12 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1nfn h GLN 117 Cb 0.02 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 1nfn h GLN 117 CO -0.02 0.48 0.15 -0.92 -1.93 0.00 0.00 178.83 176.59 1nfn h TYR 118 N 0.74 0.38 -0.89 3.99 3.20 -0.92 -0.99 116.97 122.48 1nfn h TYR 118 Ca 0.45 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.39 1nfn h TYR 118 Cb 0.53 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1nfn h TYR 118 CO -0.06 0.32 0.55 -0.09 -1.64 0.00 0.00 178.16 177.23 1nfn h ARG 119 N 0.33 0.94 -0.47 1.82 2.43 -0.90 -0.81 114.38 117.72 1nfn h ARG 119 Ca 0.10 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1nfn h ARG 119 Cb 0.06 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1nfn h ARG 119 CO -0.02 0.62 -0.24 0.78 -1.51 0.00 0.00 179.97 179.61 1nfn h GLY 120 N 0.97 1.08 1.58 2.80 0.00 -1.00 -1.87 103.07 106.63 1nfn h GLY 120 Ca 0.40 -0.98 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 1nfn h GLY 120 CO -0.20 0.89 -0.30 0.83 0.00 0.00 0.00 176.54 177.76 1nfn h GLU 121 N 0.85 0.48 -0.08 4.80 5.08 -0.65 -0.86 114.58 124.19 1nfn h GLU 121 Ca 0.11 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1nfn h GLU 121 Cb 0.82 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1nfn h GLU 121 CO 0.07 0.73 0.04 0.28 -1.00 0.00 0.00 179.01 179.13 1nfn h VAL 122 N 0.41 1.09 -0.61 3.13 2.07 -1.00 -2.19 116.25 119.16 1nfn h VAL 122 Ca 0.05 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.40 1nfn h VAL 122 Cb 0.74 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1nfn h VAL 122 CO 0.06 0.08 0.23 1.56 0.02 0.00 0.00 177.57 179.51 1nfn h GLN 123 N 0.03 0.39 -0.01 1.57 1.08 -0.94 -2.04 115.11 115.19 1nfn h GLN 123 Ca 0.03 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1nfn h GLN 123 Cb 0.09 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1nfn h GLN 123 CO -0.00 0.26 0.00 0.00 -0.95 0.00 0.00 178.83 178.14 1nfn h ALA 124 N 1.42 1.94 0.00 3.87 0.00 -0.85 -0.75 119.26 124.89 1nfn h ALA 124 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nfn h ALA 124 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nfn h ALA 124 CO -0.31 -0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.60 1nfn n MET 125 N -4.44 0.13 -3.77 0.00 2.81 -0.77 -4.91 117.12 106.16 1nfn n MET 125 Ca -0.03 0.36 -0.25 0.00 -1.81 0.00 0.00 57.70 55.97 1nfn n MET 125 Cb 0.09 -1.74 0.03 0.00 -0.71 0.00 0.00 33.22 30.90 1nfn n MET 125 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1nfn n LEU 126 N -1.97 -2.94 0.00 4.03 4.77 -0.29 -1.82 117.00 118.77 1nfn n LEU 126 Ca 0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1nfn n LEU 126 Cb 0.21 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 1nfn n LEU 126 CO 0.18 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1nfn n GLY 127 N -1.63 1.27 3.79 -0.72 0.00 -1.26 -5.05 105.19 101.59 1nfn n GLY 127 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1nfn n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nfn s GLN 128 N -0.37 2.47 0.31 1.61 0.74 -0.76 -4.92 119.66 118.75 1nfn s GLN 128 Ca 0.00 0.95 -0.28 0.00 0.05 0.00 0.00 55.36 56.08 1nfn s GLN 128 Cb 0.00 -1.94 -0.13 0.00 1.10 0.00 0.00 33.01 32.04 1nfn s GLN 128 CO 0.00 -1.43 1.16 0.45 -0.55 0.00 0.00 175.29 174.93 1nfn n SER 129 N -3.35 2.09 -0.51 6.67 2.88 -1.26 -4.92 113.62 115.22 1nfn n SER 129 Ca 0.08 1.19 0.05 0.00 -1.33 0.00 0.00 58.87 58.86 1nfn n SER 129 Cb 0.54 -1.39 0.11 0.00 -0.75 0.00 0.00 64.21 62.72 1nfn n SER 129 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nfn n THR 130 N 0.32 0.73 -0.25 2.46 -2.24 -1.26 -4.68 114.28 109.36 1nfn n THR 130 Ca 0.07 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1nfn n THR 130 Cb 0.34 0.69 0.12 0.00 -2.10 0.00 0.00 70.33 69.38 1nfn n THR 130 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1nfn h GLU 131 N 1.81 0.67 -0.67 -0.78 4.39 -1.99 -0.92 114.58 117.08 1nfn h GLU 131 Ca 0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1nfn h GLU 131 Cb 0.62 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1nfn h GLU 131 CO 0.00 0.44 0.17 0.93 -1.16 0.00 0.00 179.01 179.39 1nfn h GLU 132 N 0.69 1.06 -0.80 2.33 3.07 -2.00 -0.60 114.58 118.32 1nfn h GLU 132 Ca 0.34 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1nfn h GLU 132 Cb 0.28 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1nfn h GLU 132 CO -0.22 0.94 0.47 -0.07 -1.40 0.00 0.00 179.01 178.73 1nfn h LEU 133 N 1.01 0.98 -0.34 1.33 3.38 -1.58 -2.45 115.31 117.64 1nfn h LEU 133 Ca 0.21 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1nfn h LEU 133 Cb 0.35 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1nfn h LEU 133 CO 0.00 0.76 -0.47 0.03 0.09 0.00 0.00 178.44 178.86 1nfn h ARG 134 N 1.11 0.91 -0.20 1.13 -0.00 -0.79 -0.05 114.38 116.49 1nfn h ARG 134 Ca 0.29 -0.53 0.01 0.00 -0.50 0.00 0.00 59.98 59.25 1nfn h ARG 134 Cb -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 1nfn h ARG 134 CO -0.05 1.18 0.10 0.28 0.00 0.00 0.00 179.97 181.48 1nfn h VAL 135 N 0.72 1.01 -0.86 2.04 2.07 -0.92 -0.92 116.25 119.38 1nfn h VAL 135 Ca 0.04 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1nfn h VAL 135 Cb 1.07 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1nfn h VAL 135 CO 0.11 0.04 0.44 0.03 0.02 0.00 0.00 177.57 178.21 1nfn h ARG 136 N 0.22 1.23 -0.40 1.57 3.08 -1.36 -2.57 114.38 116.14 1nfn h ARG 136 Ca 0.08 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1nfn h ARG 136 Cb 0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1nfn h ARG 136 CO -0.05 0.93 0.14 1.25 -1.07 0.00 0.00 179.97 181.17 1nfn h LEU 137 N 1.22 0.58 -0.79 3.04 5.85 -0.63 -2.06 115.31 122.51 1nfn h LEU 137 Ca 0.30 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1nfn h LEU 137 Cb 0.09 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1nfn h LEU 137 CO -0.04 0.62 0.47 0.00 -0.34 0.00 0.00 178.44 179.15 1nfn h ALA 138 N 0.98 1.01 -0.19 1.25 0.00 -1.02 0.36 119.26 121.66 1nfn h ALA 138 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1nfn h ALA 138 Cb 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nfn h ALA 138 CO -0.01 0.48 -0.11 1.03 0.00 0.00 0.00 179.25 180.64 1nfn h SER 139 N 1.08 0.42 -0.30 0.00 0.87 -1.34 -1.47 113.55 112.83 1nfn h SER 139 Ca 0.28 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1nfn h SER 139 Cb -0.03 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1nfn h SER 139 CO -0.05 0.76 0.06 -0.74 -0.53 0.00 0.00 176.83 176.33 1nfn h HIS 140 N 0.09 0.51 -0.89 2.24 6.17 -1.11 -2.79 115.15 119.37 1nfn h HIS 140 Ca 0.04 -0.07 0.07 0.00 0.71 0.00 0.00 60.37 61.12 1nfn h HIS 140 Cb 0.61 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 30.34 1nfn h HIS 140 CO 0.07 0.56 0.58 1.25 0.71 0.00 0.00 177.93 181.10 1nfn h LEU 141 N 0.32 0.86 -0.69 0.26 5.85 -0.26 -0.87 115.31 120.78 1nfn h LEU 141 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1nfn h LEU 141 Cb 0.32 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1nfn h LEU 141 CO 0.00 0.54 0.43 -0.09 -0.34 0.00 0.00 178.44 178.98 1nfn h ARG 142 N 0.97 0.93 -0.44 1.25 2.43 -1.01 -0.56 114.38 117.96 1nfn h ARG 142 Ca 0.39 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.38 1nfn h ARG 142 Cb 0.25 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1nfn h ARG 142 CO -0.15 0.65 -0.13 0.87 -1.51 0.00 0.00 179.97 179.70 1nfn h LYS 143 N 0.94 0.86 -0.12 0.20 1.57 -1.18 -1.53 116.57 117.32 1nfn h LYS 143 Ca 0.25 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1nfn h LYS 143 Cb -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nfn h LYS 143 CO -0.05 0.98 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.52 1nfn h LEU 144 N 0.69 0.19 -0.51 2.94 3.38 -0.87 -2.04 115.31 119.10 1nfn h LEU 144 Ca 0.11 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1nfn h LEU 144 Cb 0.67 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1nfn h LEU 144 CO 0.05 0.42 -0.40 0.03 0.09 0.00 0.00 178.44 178.63 1nfn h ARG 145 N 0.19 0.78 -0.89 1.13 3.08 -0.92 -1.72 114.38 116.03 1nfn h ARG 145 Ca 0.03 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1nfn h ARG 145 Cb 0.49 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1nfn h ARG 145 CO 0.03 1.04 0.49 0.87 -1.07 0.00 0.00 179.97 181.33 1nfn h LYS 146 N 0.64 1.24 0.01 0.04 1.57 -0.85 -0.34 116.57 118.88 1nfn h LYS 146 Ca 0.05 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1nfn h LYS 146 Cb 0.96 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1nfn h LYS 146 CO 0.09 0.91 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.78 1nfn h ARG 147 N 1.25 -0.01 -0.65 3.15 2.43 -1.33 -1.27 114.38 117.95 1nfn h ARG 147 Ca 0.31 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.53 1nfn h ARG 147 Cb 0.03 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1nfn h ARG 147 CO -0.05 0.15 0.38 1.25 -1.51 0.00 0.00 179.97 180.19 1nfn h LEU 148 N -0.16 0.60 -0.42 3.80 6.46 -0.91 -1.73 115.31 122.95 1nfn h LEU 148 Ca -0.00 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1nfn h LEU 148 Cb 0.16 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1nfn h LEU 148 CO 0.00 0.41 0.24 0.25 -0.62 0.00 0.00 178.44 178.72 1nfn h LEU 149 N 0.73 0.38 -0.84 2.25 5.85 -0.90 0.82 115.31 123.61 1nfn h LEU 149 Ca 0.28 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 1nfn h LEU 149 Cb 0.10 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1nfn h LEU 149 CO -0.14 0.28 -0.14 0.03 -0.34 0.00 0.00 178.44 178.13 1nfn h ARG 150 N 0.49 0.72 -0.02 1.25 3.08 -0.75 -1.61 114.38 117.54 1nfn h ARG 150 Ca 0.17 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1nfn h ARG 150 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1nfn h ARG 150 CO -0.09 0.83 -0.56 -0.44 -1.07 0.00 0.00 179.97 178.64 1nfn h ASP 151 N 0.65 0.07 -0.14 7.04 3.32 -1.07 -1.26 116.42 125.03 1nfn h ASP 151 Ca 0.11 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.90 1nfn h ASP 151 Cb 0.60 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.14 1nfn h ASP 151 CO 0.04 0.62 -0.79 0.00 -1.72 0.00 0.00 179.24 177.39 1nfn h ALA 152 N 1.39 0.29 -0.74 3.45 0.00 -0.62 -0.39 119.26 122.63 1nfn h ALA 152 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1nfn h ALA 152 Cb 1.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1nfn h ALA 152 CO 0.08 0.67 0.23 0.22 0.00 0.00 0.00 179.25 180.45 1nfn h ASP 153 N 0.51 1.08 -0.25 0.00 3.58 -1.19 -0.01 116.42 120.14 1nfn h ASP 153 Ca -0.06 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 1nfn h ASP 153 Cb 1.42 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1nfn h ASP 153 CO 0.16 1.00 0.10 -0.78 -2.88 0.00 0.00 179.24 176.84 1nfn h ASP 154 N 1.10 0.35 -0.96 2.28 3.58 -1.15 -0.20 116.42 121.43 1nfn h ASP 154 Ca 0.24 -0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.57 1nfn h ASP 154 Cb 0.31 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 1nfn h ASP 154 CO -0.01 0.43 0.62 0.25 -2.88 0.00 0.00 179.24 177.65 1nfn h LEU 155 N 0.25 1.00 -0.58 2.28 5.85 -0.73 -0.59 115.31 122.79 1nfn h LEU 155 Ca 0.08 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1nfn h LEU 155 Cb 0.19 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1nfn h LEU 155 CO -0.01 0.65 0.27 1.56 -0.34 0.00 0.00 178.44 180.58 1nfn h GLN 156 N 1.15 0.84 -0.69 1.25 4.20 -0.67 -1.31 115.11 119.88 1nfn h GLN 156 Ca 0.40 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1nfn h GLN 156 Cb 0.11 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1nfn h GLN 156 CO -0.15 0.69 0.22 0.87 -0.67 0.00 0.00 178.83 179.78 1nfn h LYS 157 N 0.79 1.07 -0.29 1.46 1.57 0.05 0.27 116.57 121.49 1nfn h LYS 157 Ca 0.20 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1nfn h LYS 157 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1nfn h LYS 157 CO -0.02 0.92 0.07 0.00 -0.57 0.00 0.00 179.45 179.85 1nfn h ARG 158 N 1.01 0.47 -0.66 3.15 3.08 -1.00 -2.89 114.38 117.55 1nfn h ARG 158 Ca 0.22 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1nfn h ARG 158 Cb 0.29 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1nfn h ARG 158 CO -0.01 0.54 0.42 -0.07 -1.07 0.00 0.00 179.97 179.79 1nfn h LEU 159 N 0.31 0.70 -2.55 3.04 3.38 -0.83 0.85 115.31 120.22 1nfn h LEU 159 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nfn h LEU 159 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nfn h LEU 159 CO 0.00 0.50 0.13 0.00 0.09 0.00 0.00 178.44 179.15 1nfn h ALA 160 N 1.27 1.12 0.01 1.53 0.00 -0.30 1.24 119.26 124.13 1nfn h ALA 160 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.90 1nfn h ALA 160 Cb -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1nfn h ALA 160 CO -0.09 -0.12 -1.45 0.28 0.00 0.00 0.00 179.25 177.87 1nfn n VAL 161 N -2.96 1.56 0.19 0.00 0.31 -0.33 -3.89 118.33 113.20 1nfn n VAL 161 Ca -0.03 -0.12 0.18 0.00 -0.01 0.00 0.00 64.34 64.37 1nfn n VAL 161 Cb 0.19 -2.00 0.82 0.00 -0.91 0.00 0.00 33.84 31.94 1nfn n VAL 161 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1nfn h TYR 162 N -0.90 0.00 -0.36 3.52 3.20 0.75 -2.33 116.97 120.85 1nfn h TYR 162 Ca -0.39 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.52 1nfn h TYR 162 Cb 1.40 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.60 1nfn h TYR 162 CO 0.08 0.00 -0.46 0.37 -1.64 0.00 0.00 178.16 176.50 1nfn h GLN 163 N 0.00 -0.30 0.00 1.82 4.15 0.13 -3.49 115.11 117.43 1nfn h GLN 163 Ca 0.10 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1nfn h GLN 163 Cb 0.59 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1nfn h GLN 163 CO -0.00 -0.20 0.00 0.00 -1.93 0.00 0.00 178.83 176.70