#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s0h s GLN 2 N 0.00 2.00 0.05 7.34 -0.21 -1.26 -4.44 119.66 123.14 1s0h s GLN 2 Ca 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 55.36 53.22 1s0h s GLN 2 Cb 0.00 -1.60 0.00 0.00 1.00 0.00 0.00 33.01 32.41 1s0h s GLN 2 CO 0.00 -0.11 0.00 1.28 -2.12 0.00 0.00 175.29 174.34 1s0h n LEU 3 N -1.02 0.10 0.00 2.90 4.77 -1.26 -5.09 117.00 117.40 1s0h n LEU 3 Ca -0.07 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1s0h n LEU 3 Cb 0.67 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1s0h n LEU 3 CO 0.47 -0.57 0.00 -0.24 -1.33 0.00 0.00 177.39 175.72 1s0h n SER 4 N -2.75 0.00 -0.08 -1.43 2.88 -1.26 -4.98 113.62 105.99 1s0h n SER 4 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1s0h n SER 4 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1s0h n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s0h n GLY 5 N -1.55 -0.05 0.11 0.46 0.00 -1.26 -1.28 105.19 101.63 1s0h n GLY 5 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1s0h n GLY 5 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s0h h GLU 6 N 0.40 0.16 -0.56 1.61 4.57 -2.00 -3.25 114.58 115.51 1s0h h GLU 6 Ca 0.00 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 57.96 1s0h h GLU 6 Cb 0.29 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.92 1s0h h GLU 6 CO 0.00 1.13 -0.33 0.39 -1.18 0.00 0.00 179.01 179.02 1s0h n GLU 7 N -4.11 -0.25 -0.25 1.92 1.02 -1.25 -1.47 120.64 116.25 1s0h n GLU 7 Ca -0.25 1.26 0.04 0.00 -0.02 0.00 0.00 57.16 58.19 1s0h n GLU 7 Cb 0.80 -1.86 0.14 0.00 -0.02 0.00 0.00 31.44 30.50 1s0h n GLU 7 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1s0h h LYS 8 N 0.00 0.09 -0.02 3.49 3.64 -1.36 -2.75 116.57 119.67 1s0h h LYS 8 Ca 0.09 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1s0h h LYS 8 Cb 0.23 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1s0h h LYS 8 CO -0.53 0.06 -0.49 0.00 -2.27 0.00 0.00 179.45 176.22 1s0h h ALA 9 N 1.68 1.16 0.03 5.00 0.00 -1.29 -3.22 119.26 122.62 1s0h h ALA 9 Ca 0.39 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1s0h h ALA 9 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1s0h h ALA 9 CO -0.65 0.62 -0.96 0.00 0.00 0.00 0.00 179.25 178.26 1s0h h ALA 10 N 1.48 0.41 -0.45 0.00 0.00 -1.12 -2.60 119.26 116.97 1s0h h ALA 10 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1s0h h ALA 10 Cb 0.88 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1s0h h ALA 10 CO 0.07 0.95 0.19 0.28 0.00 0.00 0.00 179.25 180.74 1s0h h VAL 11 N 0.10 1.17 0.10 0.00 2.07 -1.55 -3.05 116.25 115.09 1s0h h VAL 11 Ca -0.06 -0.50 -0.33 0.00 0.82 0.00 0.00 66.70 66.63 1s0h h VAL 11 Cb 1.62 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1s0h h VAL 11 CO 0.15 0.20 -1.75 -0.07 0.02 0.00 0.00 177.57 176.12 1s0h h LEU 12 N 0.64 0.31 -0.08 2.57 3.38 -1.55 -2.32 115.31 118.27 1s0h h LEU 12 Ca 0.16 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1s0h h LEU 12 Cb 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1s0h h LEU 12 CO -0.02 1.50 0.00 0.00 0.09 0.00 0.00 178.44 180.01 1s0h n ALA 13 N -2.77 2.02 -0.09 1.53 0.00 -0.99 -1.50 120.51 118.72 1s0h n ALA 13 Ca -0.22 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.01 1s0h n ALA 13 Cb 1.05 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 1s0h n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s0h h LEU 14 N 0.00 0.00 -1.90 0.00 5.85 -1.54 -3.34 115.31 114.38 1s0h h LEU 14 Ca 0.00 -0.33 0.28 0.00 0.84 0.00 0.00 57.88 58.67 1s0h h LEU 14 Cb 0.43 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1s0h h LEU 14 CO 0.00 1.20 0.71 -0.25 -0.34 0.00 0.00 178.44 179.77 1s0h h TRP 15 N -1.00 0.11 0.12 1.25 2.91 -0.94 2.50 115.95 120.90 1s0h h TRP 15 Ca -0.21 0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.82 1s0h h TRP 15 Cb 0.99 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.59 1s0h h TRP 15 CO -0.01 0.02 -0.17 -0.44 -1.03 0.00 0.00 178.44 176.81 1s0h h ASP 16 N 0.07 -0.46 0.00 2.65 3.45 -1.39 -0.19 116.42 120.55 1s0h h ASP 16 Ca 0.49 0.05 0.00 0.00 0.43 0.00 0.00 57.03 58.00 1s0h h ASP 16 Cb 1.83 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 40.77 1s0h h ASP 16 CO -0.05 -0.25 0.00 0.29 -1.57 0.00 0.00 179.24 177.67 1s0h n LYS 17 N -5.29 0.78 -3.07 3.56 5.02 0.84 -4.84 118.16 115.15 1s0h n LYS 17 Ca -0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 1s0h n LYS 17 Cb 0.21 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1s0h n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s0h s VAL 18 N -1.82 4.94 -0.95 -0.18 1.01 -0.08 -5.03 120.40 118.30 1s0h s VAL 18 Ca 0.00 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.87 1s0h s VAL 18 Cb 0.00 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1s0h s VAL 18 CO 0.00 -0.04 1.41 0.21 0.00 0.00 0.00 175.10 176.69 1s0h s ASN 19 N 1.50 6.39 0.25 3.32 3.84 -1.26 -4.90 114.94 124.08 1s0h s ASN 19 Ca 0.27 -1.18 0.11 0.00 0.21 0.00 0.00 52.86 52.27 1s0h s ASN 19 Cb -0.15 -2.57 0.58 0.00 -0.55 0.00 0.00 41.25 38.56 1s0h s ASN 19 CO 0.09 -1.61 1.21 1.21 -2.79 0.00 0.00 177.10 175.21 1s0h n GLU 20 N 9.02 0.07 -0.10 0.43 2.13 -1.26 -2.16 120.64 128.77 1s0h n GLU 20 Ca 0.25 0.52 -0.16 0.00 0.66 0.00 0.00 57.16 58.43 1s0h n GLU 20 Cb 0.50 -1.99 -0.05 0.00 0.27 0.00 0.00 31.44 30.17 1s0h n GLU 20 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1s0h n GLU 21 N -1.90 0.51 -0.32 5.31 2.13 -1.26 -2.18 120.64 122.93 1s0h n GLU 21 Ca -0.01 0.21 0.20 0.00 0.66 0.00 0.00 57.16 58.22 1s0h n GLU 21 Cb 0.27 -1.37 0.40 0.00 0.27 0.00 0.00 31.44 31.01 1s0h n GLU 21 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1s0h h GLU 22 N -0.91 0.25 0.00 5.31 5.08 -1.90 -2.88 114.58 119.53 1s0h h GLU 22 Ca -0.26 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 57.78 1s0h h GLU 22 Cb 1.17 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1s0h h GLU 22 CO -0.16 0.16 -1.97 0.28 -1.00 0.00 0.00 179.01 176.33 1s0h n VAL 23 N -5.14 1.42 0.02 3.13 0.31 -0.92 -3.05 118.33 114.11 1s0h n VAL 23 Ca 0.28 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.68 1s0h n VAL 23 Cb 0.87 -0.74 -0.09 0.00 -0.91 0.00 0.00 33.84 32.97 1s0h n VAL 23 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1s0h h GLY 24 N 3.75 -0.08 -0.12 2.92 0.00 -1.38 -2.30 103.07 105.86 1s0h h GLY 24 Ca -0.37 0.03 0.28 0.00 0.00 0.00 0.00 47.33 47.27 1s0h h GLY 24 CO 0.05 -0.03 0.71 -1.33 0.00 0.00 0.00 176.54 175.95 1s0h h GLY 25 N -0.48 0.64 0.56 4.60 0.00 -1.62 -1.17 103.07 105.59 1s0h h GLY 25 Ca -0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 47.33 46.92 1s0h h GLY 25 CO 0.01 -0.07 -1.94 -2.21 0.00 0.00 0.00 176.54 172.34 1s0h n GLU 26 N -4.43 0.65 -0.04 4.80 2.13 -1.15 -1.51 120.64 121.09 1s0h n GLU 26 Ca 0.24 0.14 -0.10 0.00 0.66 0.00 0.00 57.16 58.10 1s0h n GLU 26 Cb 0.99 -1.68 -0.04 0.00 0.27 0.00 0.00 31.44 30.99 1s0h n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s0h h ALA 27 N 1.12 0.24 0.00 4.31 0.00 -1.16 -1.96 119.26 121.81 1s0h h ALA 27 Ca -0.35 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1s0h h ALA 27 Cb 1.99 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1s0h h ALA 27 CO 0.05 -0.28 -0.83 1.25 0.00 0.00 0.00 179.25 179.44 1s0h h LEU 28 N 0.26 0.00 -0.75 0.00 6.46 -1.25 -2.66 115.31 117.37 1s0h h LEU 28 Ca 0.07 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1s0h h LEU 28 Cb -0.03 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1s0h h LEU 28 CO -0.02 0.83 0.03 1.23 -0.62 0.00 0.00 178.44 179.89 1s0h h GLY 29 N 2.77 1.06 1.47 3.75 0.00 -1.17 -2.93 103.07 108.01 1s0h h GLY 29 Ca -0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 47.33 46.34 1s0h h GLY 29 CO 0.11 0.67 -1.07 3.21 0.00 0.00 0.00 176.54 179.47 1s0h h ARG 30 N 0.91 0.46 -0.73 4.80 -0.00 -1.32 -2.91 114.38 115.59 1s0h h ARG 30 Ca 0.17 -0.56 0.16 0.00 -0.50 0.00 0.00 59.98 59.26 1s0h h ARG 30 Cb 0.49 0.17 -0.13 0.00 0.00 0.00 0.00 29.97 30.51 1s0h h ARG 30 CO 0.02 1.20 -0.01 1.25 0.00 0.00 0.00 179.97 182.44 1s0h h LEU 31 N 0.23 -0.36 -0.29 3.04 5.85 -1.29 0.29 115.31 122.79 1s0h h LEU 31 Ca -0.12 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1s0h h LEU 31 Cb 1.73 0.34 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1s0h h LEU 31 CO 0.19 -0.17 -0.15 0.18 -0.34 0.00 0.00 178.44 178.15 1s0h n LEU 32 N -5.34 0.59 -0.12 2.25 4.77 -1.16 -0.74 117.00 117.26 1s0h n LEU 32 Ca 0.12 -0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 1s0h n LEU 32 Cb 0.45 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 1s0h n LEU 32 CO 0.06 0.11 -0.98 0.52 -1.33 0.00 0.00 177.39 175.76 1s0h n VAL 33 N -0.90 1.52 -0.05 4.08 0.31 0.03 -3.93 118.33 119.39 1s0h n VAL 33 Ca 0.14 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 1s0h n VAL 33 Cb 0.30 -2.03 0.01 0.00 -0.91 0.00 0.00 33.84 31.20 1s0h n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1s0h h VAL 34 N -1.00 1.29 -2.32 2.52 2.07 -0.57 -3.35 116.25 114.89 1s0h h VAL 34 Ca -0.45 -1.73 -0.60 0.00 0.82 0.00 0.00 66.70 64.74 1s0h h VAL 34 Cb 1.36 1.66 -0.41 0.00 -1.52 0.00 0.00 31.29 32.37 1s0h h VAL 34 CO -0.27 0.56 -0.68 -1.22 0.02 0.00 0.00 177.57 175.97 1s0h n TYR 35 N -3.99 2.82 -0.03 1.57 4.01 0.09 -4.94 117.16 116.68 1s0h n TYR 35 Ca -0.04 -4.06 0.23 0.00 -0.16 0.00 0.00 57.90 53.87 1s0h n TYR 35 Cb 0.61 -0.51 0.72 0.00 -0.31 0.00 0.00 39.34 39.85 1s0h n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1s0h h PRO 36 N 4.40 0.00 -0.64 -0.72 0.13 -1.71 0.81 132.00 134.28 1s0h h PRO 36 Ca 0.17 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.49 1s0h h PRO 36 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1s0h h PRO 36 CO 0.74 0.00 0.71 0.11 -0.23 0.00 0.00 178.00 179.33 1s0h h TRP 37 N 0.00 0.00 -0.00 1.56 0.09 -1.92 -1.09 115.95 114.59 1s0h h TRP 37 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.27 1s0h h TRP 37 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.49 1s0h h TRP 37 CO 0.00 0.00 0.09 1.79 0.09 0.00 0.00 178.44 180.41 1s0h h THR 38 N 0.00 0.03 0.00 0.12 1.35 -1.16 -2.76 112.91 110.48 1s0h h THR 38 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1s0h h THR 38 Cb 1.72 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1s0h h THR 38 CO -0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1s0h h GLN 39 N 0.00 0.00 -0.99 4.72 4.20 -1.39 -2.88 115.11 118.77 1s0h h GLN 39 Ca 0.00 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.04 1s0h h GLN 39 Cb 0.17 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.80 1s0h h GLN 39 CO -0.00 0.00 0.52 0.00 -0.67 0.00 0.00 178.83 178.68 1s0h h ARG 40 N 0.00 0.26 -0.38 1.46 3.08 -1.73 -2.81 114.38 114.27 1s0h h ARG 40 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1s0h h ARG 40 Cb 0.57 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1s0h h ARG 40 CO 0.00 0.17 0.00 1.19 -1.07 0.00 0.00 179.97 180.26 1s0h n PHE 41 N -5.11 0.38 -2.71 3.04 3.01 -1.09 -3.89 117.46 111.09 1s0h n PHE 41 Ca 0.31 -0.17 -0.07 0.00 1.01 0.00 0.00 57.45 58.53 1s0h n PHE 41 Cb 0.99 -0.05 0.10 0.00 -0.01 0.00 0.00 39.48 40.51 1s0h n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1s0h n PHE 42 N 0.17 -2.47 -0.05 1.38 3.01 -1.06 -4.96 117.46 113.48 1s0h n PHE 42 Ca 0.08 -1.91 -0.12 0.00 1.01 0.00 0.00 57.45 56.52 1s0h n PHE 42 Cb 0.27 1.59 -0.14 0.00 -0.01 0.00 0.00 39.48 41.18 1s0h n PHE 42 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1s0h n ASP 43 N -0.22 0.86 -0.38 4.37 8.00 -1.25 -3.63 116.55 124.30 1s0h n ASP 43 Ca -0.01 0.21 0.32 0.00 0.71 0.00 0.00 54.79 56.02 1s0h n ASP 43 Cb 0.78 0.14 0.55 0.00 -0.02 0.00 0.00 41.12 42.57 1s0h n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1s0h n SER 44 N -3.03 0.18 0.00 -2.24 3.41 -1.26 -1.23 113.62 109.45 1s0h n SER 44 Ca -0.27 1.16 0.07 0.00 -0.26 0.00 0.00 58.87 59.57 1s0h n SER 44 Cb 1.08 -0.57 0.43 0.00 -0.26 0.00 0.00 64.21 64.89 1s0h n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s0h n PHE 45 N -4.38 0.00 -0.61 7.33 0.99 -1.24 -4.95 117.46 114.60 1s0h n PHE 45 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1s0h n PHE 45 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.75 1s0h n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s0h n GLY 46 N 0.20 1.66 3.62 1.37 0.00 -0.37 -4.84 105.19 106.82 1s0h n GLY 46 Ca 0.11 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1s0h n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s0h s ASP 47 N -4.00 6.20 -0.11 1.61 3.68 -1.26 -4.91 116.67 117.88 1s0h s ASP 47 Ca 0.00 1.44 0.15 0.00 2.13 0.00 0.00 52.55 56.27 1s0h s ASP 47 Cb 0.00 -2.53 0.26 0.00 -1.45 0.00 0.00 42.92 39.20 1s0h s ASP 47 CO 0.00 -1.44 1.13 0.18 0.13 0.00 0.00 175.17 175.17 1s0h n LEU 48 N 9.15 1.93 -0.15 -1.34 4.77 -1.26 -4.57 117.00 125.52 1s0h n LEU 48 Ca 0.20 -2.78 -0.11 0.00 -0.03 0.00 0.00 56.01 53.30 1s0h n LEU 48 Cb 0.46 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1s0h n LEU 48 CO 0.67 0.70 0.75 0.28 -1.33 0.00 0.00 177.39 178.46 1s0h h SER 49 N 0.15 0.83 -2.16 -1.43 0.02 -1.91 -3.43 113.55 105.61 1s0h h SER 49 Ca -0.01 -0.34 -0.59 0.00 -0.84 0.00 0.00 61.79 60.01 1s0h h SER 49 Cb 1.10 -0.23 -0.14 0.00 0.14 0.00 0.00 62.40 63.28 1s0h h SER 49 CO 0.00 0.97 -0.69 0.54 -1.14 0.00 0.00 176.83 176.52 1s0h s ASN 50 N -6.40 3.53 0.37 3.07 2.20 -1.26 -5.07 114.94 111.38 1s0h s ASN 50 Ca -0.12 -1.17 0.08 0.00 -0.94 0.00 0.00 52.86 50.71 1s0h s ASN 50 Cb 0.11 -0.31 0.81 0.00 -2.00 0.00 0.00 41.25 39.86 1s0h s ASN 50 CO 0.82 -0.20 1.92 1.55 -2.94 0.00 0.00 177.10 178.25 1s0h h PRO 51 N 2.10 0.67 -0.17 3.55 0.13 -1.99 -2.10 132.00 134.19 1s0h h PRO 51 Ca -0.41 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1s0h h PRO 51 Cb 1.25 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1s0h h PRO 51 CO 0.68 0.44 -0.27 0.78 -0.23 0.00 0.00 178.00 179.41 1s0h h GLY 52 N 0.69 0.53 1.26 1.56 0.00 -1.97 -2.31 103.07 102.83 1s0h h GLY 52 Ca 0.38 -0.60 0.08 0.00 0.00 0.00 0.00 47.33 47.18 1s0h h GLY 52 CO -0.15 0.54 0.29 0.00 0.00 0.00 0.00 176.54 177.23 1s0h h ALA 53 N 0.59 1.94 0.12 3.60 0.00 -1.75 -1.48 119.26 122.28 1s0h h ALA 53 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 1s0h h ALA 53 Cb 0.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1s0h h ALA 53 CO 0.06 -0.43 -1.62 0.28 0.00 0.00 0.00 179.25 177.54 1s0h h VAL 54 N 0.00 0.89 0.09 0.00 2.07 -0.97 -2.98 116.25 115.35 1s0h h VAL 54 Ca 0.13 -2.38 -0.14 0.00 0.82 0.00 0.00 66.70 65.13 1s0h h VAL 54 Cb 0.71 2.62 0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1s0h h VAL 54 CO -0.00 0.75 -0.60 0.24 0.02 0.00 0.00 177.57 177.98 1s0h h MET 55 N -0.20 0.25 -0.77 1.57 2.86 -0.91 -2.85 114.93 114.88 1s0h h MET 55 Ca -0.35 -0.39 0.16 0.00 -2.06 0.00 0.00 59.70 57.07 1s0h h MET 55 Cb 1.85 0.14 -0.10 0.00 0.06 0.00 0.00 31.60 33.54 1s0h h MET 55 CO 0.06 1.16 0.28 0.78 1.06 0.00 0.00 176.91 180.24 1s0h h GLY 56 N -0.46 1.16 -4.97 8.32 0.00 -1.47 -3.45 103.07 102.21 1s0h h GLY 56 Ca -0.10 -0.12 -0.65 0.00 0.00 0.00 0.00 47.33 46.46 1s0h h GLY 56 CO 0.11 -0.15 0.04 -2.01 0.00 0.00 0.00 176.54 174.53 1s0h n ASN 57 N -5.06 0.66 -0.02 0.19 2.85 -1.08 -4.85 115.26 107.95 1s0h n ASN 57 Ca 0.15 1.15 -0.09 0.00 -0.11 0.00 0.00 54.58 55.68 1s0h n ASN 57 Cb 0.46 -1.15 -0.14 0.00 1.24 0.00 0.00 39.78 40.19 1s0h n ASN 57 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1s0h n PRO 58 N 1.30 0.64 -0.00 1.20 -0.02 -1.26 -3.29 135.00 133.56 1s0h n PRO 58 Ca 0.15 0.28 -0.06 0.00 -2.02 0.00 0.00 63.50 61.85 1s0h n PRO 58 Cb 0.25 -1.78 0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1s0h n PRO 58 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s0h h LYS 59 N 0.00 0.54 0.26 -0.52 1.79 -1.94 -2.90 116.57 113.81 1s0h h LYS 59 Ca -0.30 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 57.90 1s0h h LYS 59 Cb 2.03 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1s0h h LYS 59 CO 0.08 0.82 -0.13 0.28 -1.08 0.00 0.00 179.45 179.42 1s0h h VAL 60 N 0.46 0.77 -1.00 0.50 2.07 -1.90 0.11 116.25 117.26 1s0h h VAL 60 Ca 0.05 -0.19 0.21 0.00 0.82 0.00 0.00 66.70 67.59 1s0h h VAL 60 Cb 0.83 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.37 1s0h h VAL 60 CO 0.07 0.04 0.61 0.50 0.02 0.00 0.00 177.57 178.81 1s0h h LYS 61 N -0.45 0.66 0.00 1.57 1.63 -1.55 -1.84 116.57 116.60 1s0h h LYS 61 Ca -0.04 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1s0h h LYS 61 Cb 0.34 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1s0h h LYS 61 CO 0.06 0.44 0.00 0.00 -3.45 0.00 0.00 179.45 176.50 1s0h n ALA 62 N -2.35 -0.23 -0.27 5.00 0.00 -0.83 -2.00 120.51 119.83 1s0h n ALA 62 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.73 1s0h n ALA 62 Cb 0.63 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.28 1s0h n ALA 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s0h h HIS 63 N 0.00 0.59 -0.03 0.00 -0.00 -0.86 0.22 115.15 115.08 1s0h h HIS 63 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1s0h h HIS 63 Cb 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.26 1s0h h HIS 63 CO 0.11 0.10 0.87 0.78 -0.00 0.00 0.00 177.93 179.79 1s0h h GLY 64 N 0.50 0.00 0.00 5.26 0.00 -1.27 -2.14 103.07 105.43 1s0h h GLY 64 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1s0h h GLY 64 CO -0.39 0.00 -0.08 1.70 0.00 0.00 0.00 176.54 177.78 1s0h h LYS 65 N 0.00 0.00 -0.45 4.80 3.64 -0.64 -1.81 116.57 122.10 1s0h h LYS 65 Ca 0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1s0h h LYS 65 Cb 1.76 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.52 1s0h h LYS 65 CO -0.00 0.00 -0.27 1.63 -2.27 0.00 0.00 179.45 178.54 1s0h n LYS 66 N -3.18 -0.20 -0.08 1.90 4.76 0.69 -0.66 118.16 121.39 1s0h n LYS 66 Ca -0.01 0.83 -0.07 0.00 -2.87 0.00 0.00 58.31 56.19 1s0h n LYS 66 Cb 0.04 -1.22 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 1s0h n LYS 66 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1s0h h VAL 67 N 0.00 0.71 -0.33 -0.18 2.07 -1.64 0.64 116.25 117.52 1s0h h VAL 67 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1s0h h VAL 67 Cb 0.19 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1s0h h VAL 67 CO -0.43 0.00 0.49 0.25 0.02 0.00 0.00 177.57 177.90 1s0h h LEU 68 N -0.00 0.00 0.00 2.57 7.12 -0.55 0.50 115.31 124.95 1s0h h LEU 68 Ca 0.14 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.11 1s0h h LEU 68 Cb 0.22 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 1s0h h LEU 68 CO -0.30 0.00 -1.44 1.57 -0.13 0.00 0.00 178.44 178.14 1s0h n HIS 69 N -3.41 0.63 -0.08 1.25 -0.00 0.21 -1.13 115.22 112.70 1s0h n HIS 69 Ca 0.06 0.19 -0.21 0.00 0.46 0.00 0.00 57.72 58.22 1s0h n HIS 69 Cb 0.63 -0.84 -0.12 0.00 -0.12 0.00 0.00 29.99 29.54 1s0h n HIS 69 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1s0h h SER 70 N 0.00 0.09 -0.79 0.26 4.64 0.17 -3.25 113.55 114.67 1s0h h SER 70 Ca -0.05 -0.64 0.13 0.00 -0.47 0.00 0.00 61.79 60.75 1s0h h SER 70 Cb 1.15 -0.03 -0.13 0.00 -0.31 0.00 0.00 62.40 63.08 1s0h h SER 70 CO 0.01 1.50 -0.29 0.49 -0.87 0.00 0.00 176.83 177.67 1s0h n PHE 71 N -4.29 0.08 -0.33 4.77 3.01 -0.17 -0.09 117.46 120.44 1s0h n PHE 71 Ca -0.29 0.97 -0.08 0.00 1.01 0.00 0.00 57.45 59.06 1s0h n PHE 71 Cb 0.73 -0.83 -0.07 0.00 -0.01 0.00 0.00 39.48 39.29 1s0h n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s0h n GLY 72 N -1.40 -2.03 0.24 1.37 0.00 -0.28 -1.52 105.19 101.57 1s0h n GLY 72 Ca 0.09 0.94 -0.01 0.00 0.00 0.00 0.00 46.02 47.04 1s0h n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s0h h GLU 73 N 0.00 0.53 -0.40 1.61 4.39 -0.53 -2.09 114.58 118.09 1s0h h GLU 73 Ca 0.13 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1s0h h GLU 73 Cb 0.33 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1s0h h GLU 73 CO -0.74 0.35 0.23 0.78 -1.16 0.00 0.00 179.01 178.47 1s0h h GLY 74 N 0.54 0.58 0.18 -3.84 0.00 -0.96 0.36 103.07 99.92 1s0h h GLY 74 Ca 0.30 -0.25 0.17 0.00 0.00 0.00 0.00 47.33 47.55 1s0h h GLY 74 CO -0.24 0.24 0.54 -2.08 0.00 0.00 0.00 176.54 175.00 1s0h h VAL 75 N 0.52 0.72 0.00 4.60 2.07 -0.58 -1.13 116.25 122.45 1s0h h VAL 75 Ca 0.14 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1s0h h VAL 75 Cb 0.02 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 1s0h h VAL 75 CO -0.03 0.13 0.00 0.45 0.02 0.00 0.00 177.57 178.15 1s0h h HIS 76 N 0.72 0.00 -0.49 1.57 -0.00 -1.01 -3.38 115.15 112.56 1s0h h HIS 76 Ca 0.53 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.55 1s0h h HIS 76 Cb 0.78 0.00 -0.27 0.00 -0.00 0.00 0.00 27.41 27.92 1s0h h HIS 76 CO -0.04 0.00 -0.66 0.72 -0.00 0.00 0.00 177.93 177.95 1s0h n HIS 77 N -2.77 1.77 0.36 2.45 -0.00 0.12 -4.94 115.22 112.20 1s0h n HIS 77 Ca 0.04 -1.97 0.13 0.00 -0.00 0.00 0.00 57.72 55.92 1s0h n HIS 77 Cb 0.43 -0.33 0.54 0.00 -0.00 0.00 0.00 29.99 30.63 1s0h n HIS 77 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1s0h h LEU 78 N 1.74 0.00 0.00 2.41 3.38 -1.75 -2.59 115.31 118.50 1s0h h LEU 78 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1s0h h LEU 78 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1s0h h LEU 78 CO 0.50 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.50 1s0h n ASP 79 N -2.40 0.00 -2.68 -0.43 10.43 -1.26 0.26 116.55 120.47 1s0h n ASP 79 Ca 0.02 0.12 -0.05 0.00 2.57 0.00 0.00 54.79 57.44 1s0h n ASP 79 Cb 0.23 -0.34 0.06 0.00 1.84 0.00 0.00 41.12 42.91 1s0h n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1s0h n ASN 80 N -1.34 -1.58 -0.11 -2.24 4.05 -0.97 -4.88 115.26 108.19 1s0h n ASN 80 Ca 0.08 -2.19 -0.11 0.00 0.45 0.00 0.00 54.58 52.81 1s0h n ASN 80 Cb 0.18 1.10 -0.03 0.00 1.23 0.00 0.00 39.78 42.26 1s0h n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1s0h h LEU 81 N 1.76 0.56 -0.52 1.20 4.07 -1.74 -3.02 115.31 117.62 1s0h h LEU 81 Ca -0.39 -0.31 -0.09 0.00 0.08 0.00 0.00 57.88 57.17 1s0h h LEU 81 Cb 1.25 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 1s0h h LEU 81 CO -0.11 0.74 -0.01 0.11 -1.08 0.00 0.00 178.44 178.10 1s0h h LYS 82 N 0.37 0.93 -0.42 1.13 1.57 -1.92 -3.12 116.57 115.10 1s0h h LYS 82 Ca 0.09 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 1s0h h LYS 82 Cb 0.45 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1s0h h LYS 82 CO 0.02 0.95 -0.11 0.78 -0.57 0.00 0.00 179.45 180.52 1s0h h GLY 83 N 0.80 0.82 0.64 3.86 0.00 -1.93 -1.06 103.07 106.19 1s0h h GLY 83 Ca 0.15 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1s0h h GLY 83 CO 0.03 0.56 -0.24 -0.84 0.00 0.00 0.00 176.54 176.05 1s0h h THR 84 N 0.69 0.29 0.00 4.70 2.02 -1.60 -3.34 112.91 115.66 1s0h h THR 84 Ca 0.12 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1s0h h THR 84 Cb 0.58 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1s0h h THR 84 CO 0.04 0.05 0.00 -0.26 0.37 0.00 0.00 175.52 175.72 1s0h h PHE 85 N -1.04 0.00 -0.94 3.16 -1.00 -1.46 -3.38 116.94 112.27 1s0h h PHE 85 Ca -0.07 0.00 0.38 0.00 2.81 0.00 0.00 57.97 61.09 1s0h h PHE 85 Cb 0.60 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 39.99 1s0h h PHE 85 CO 0.01 0.00 0.46 0.00 -1.61 0.00 0.00 178.31 177.17 1s0h n ALA 86 N -1.89 0.92 0.10 2.45 0.00 -0.41 0.98 120.51 122.65 1s0h n ALA 86 Ca 0.05 0.97 -0.04 0.00 0.00 0.00 0.00 53.44 54.41 1s0h n ALA 86 Cb 0.44 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.97 1s0h n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s0h h ALA 87 N 1.89 0.65 0.00 0.00 0.00 -1.85 -0.72 119.26 119.23 1s0h h ALA 87 Ca 0.78 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s0h h ALA 87 Cb 2.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1s0h h ALA 87 CO -0.74 1.02 -0.68 -0.07 0.00 0.00 0.00 179.25 178.78 1s0h h LEU 88 N 0.00 0.00 0.15 0.00 3.38 -0.16 -1.48 115.31 117.19 1s0h h LEU 88 Ca -0.01 -0.11 -0.29 0.00 0.09 0.00 0.00 57.88 57.55 1s0h h LEU 88 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1s0h h LEU 88 CO 0.11 0.06 -1.46 -1.28 0.09 0.00 0.00 178.44 175.95 1s0h h SER 89 N 0.00 0.48 -0.29 -0.43 0.87 0.71 0.12 113.55 115.00 1s0h h SER 89 Ca 0.00 -0.89 0.03 0.00 -1.23 0.00 0.00 61.79 59.69 1s0h h SER 89 Cb 0.86 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 1s0h h SER 89 CO 0.00 1.65 -0.17 1.21 -0.53 0.00 0.00 176.83 178.99 1s0h n GLU 90 N -3.84 -0.13 -0.33 2.24 2.13 -0.28 -2.78 120.64 117.65 1s0h n GLU 90 Ca -0.24 1.02 -0.09 0.00 0.66 0.00 0.00 57.16 58.52 1s0h n GLU 90 Cb 0.95 -1.52 -0.08 0.00 0.27 0.00 0.00 31.44 31.06 1s0h n GLU 90 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1s0h h LEU 91 N 0.00 -1.72 -0.45 4.31 5.85 -0.78 -3.04 115.31 119.48 1s0h h LEU 91 Ca 0.05 0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1s0h h LEU 91 Cb 0.12 0.76 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1s0h h LEU 91 CO -0.28 -0.18 0.11 0.45 -0.34 0.00 0.00 178.44 178.20 1s0h h HIS 92 N -0.00 0.76 -0.18 1.25 3.86 -1.02 -2.32 115.15 117.50 1s0h h HIS 92 Ca 0.13 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1s0h h HIS 92 Cb 0.33 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1s0h h HIS 92 CO -1.01 0.70 -0.15 0.00 0.86 0.00 0.00 177.93 178.33 1s0h h ASP 94 N -0.06 -0.51 0.01 0.00 3.45 -1.60 -2.45 116.42 115.27 1s0h h ASP 94 Ca 0.03 0.02 -0.22 0.00 0.43 0.00 0.00 57.03 57.29 1s0h h ASP 94 Cb 0.14 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.01 1s0h h ASP 94 CO -0.20 -0.08 -1.19 0.50 -1.57 0.00 0.00 179.24 176.70 1s0h h LYS 95 N -1.16 0.03 0.00 3.56 3.64 -1.61 -3.36 116.57 117.66 1s0h h LYS 95 Ca -0.06 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1s0h h LYS 95 Cb 0.46 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1s0h h LYS 95 CO 0.10 1.03 -1.12 -0.07 -2.27 0.00 0.00 179.45 177.12 1s0h h LEU 96 N -0.89 0.00 -2.73 5.20 3.38 -1.56 -3.50 115.31 115.20 1s0h h LEU 96 Ca -0.32 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.28 1s0h h LEU 96 Cb 1.35 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.22 1s0h h LEU 96 CO -0.16 0.56 -0.90 1.41 0.09 0.00 0.00 178.44 179.45 1s0h n HIS 97 N -3.00 -2.09 -4.12 1.13 8.25 -0.69 -5.00 115.22 109.70 1s0h n HIS 97 Ca -0.06 0.65 -0.35 0.00 -0.26 0.00 0.00 57.72 57.70 1s0h n HIS 97 Cb 0.81 -3.82 -0.09 0.00 1.12 0.00 0.00 29.99 28.01 1s0h n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s0h s VAL 98 N -3.47 4.77 0.29 1.59 1.01 -1.22 -5.02 120.40 118.35 1s0h s VAL 98 Ca 0.39 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1s0h s VAL 98 Cb -0.11 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 1s0h s VAL 98 CO 0.81 0.55 1.14 -0.62 0.00 0.00 0.00 175.10 176.98 1s0h s ASP 99 N -0.41 7.16 0.60 3.32 2.15 -1.26 -4.71 116.67 123.52 1s0h s ASP 99 Ca 0.09 2.34 0.36 0.00 0.43 0.00 0.00 52.55 55.77 1s0h s ASP 99 Cb -0.12 -2.63 1.93 0.00 -0.30 0.00 0.00 42.92 41.80 1s0h s ASP 99 CO 0.02 -0.22 2.23 -0.65 -0.17 0.00 0.00 175.17 176.37 1s0h h PRO 100 N 3.70 0.00 0.00 4.34 0.11 -1.97 -1.41 132.00 136.78 1s0h h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1s0h h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s0h h PRO 100 CO 0.66 0.03 0.00 1.49 -0.21 0.00 0.00 178.00 179.97 1s0h h GLU 101 N 0.00 0.00 0.05 1.05 4.57 -1.97 -1.18 114.58 117.10 1s0h h GLU 101 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s0h h GLU 101 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1s0h h GLU 101 CO 0.00 0.00 -0.02 -0.91 -1.18 0.00 0.00 179.01 176.90 1s0h h ASN 102 N 0.00 -0.05 -0.02 1.04 2.35 -1.63 -2.64 115.58 114.63 1s0h h ASN 102 Ca 0.00 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.33 1s0h h ASN 102 Cb 0.46 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1s0h h ASN 102 CO 0.00 0.41 0.42 -0.26 -1.65 0.00 0.00 177.43 176.35 1s0h h PHE 103 N -0.53 0.00 0.12 1.19 0.04 -1.31 0.12 116.94 116.57 1s0h h PHE 103 Ca -0.01 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.46 1s0h h PHE 103 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1s0h h PHE 103 CO 0.08 0.00 -1.56 -0.09 -0.60 0.00 0.00 178.31 176.14 1s0h h ARG 104 N 0.00 0.25 -0.45 1.51 2.43 -1.42 -2.95 114.38 113.75 1s0h h ARG 104 Ca 0.01 -0.43 0.04 0.00 -0.81 0.00 0.00 59.98 58.80 1s0h h ARG 104 Cb 0.85 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 1s0h h ARG 104 CO -0.00 1.20 -0.33 -0.07 -1.51 0.00 0.00 179.97 179.27 1s0h h LEU 105 N -0.23 -1.17 -1.01 3.80 3.38 -0.47 -1.10 115.31 118.51 1s0h h LEU 105 Ca -0.34 0.17 0.29 0.00 0.09 0.00 0.00 57.88 58.09 1s0h h LEU 105 Cb 1.83 0.51 -0.14 0.00 0.09 0.00 0.00 40.66 42.94 1s0h h LEU 105 CO 0.06 -0.16 0.59 0.25 0.09 0.00 0.00 178.44 179.26 1s0h h LEU 106 N -0.08 0.58 -1.05 1.67 5.85 -1.17 -1.12 115.31 120.00 1s0h h LEU 106 Ca 0.07 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1s0h h LEU 106 Cb 0.27 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1s0h h LEU 106 CO -0.47 -0.03 -0.05 1.23 -0.34 0.00 0.00 178.44 178.78 1s0h h GLY 107 N 0.43 0.66 1.35 3.75 0.00 -1.06 0.61 103.07 108.82 1s0h h GLY 107 Ca 0.70 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 47.35 1s0h h GLY 107 CO -0.54 0.41 -0.93 3.43 0.00 0.00 0.00 176.54 178.90 1s0h h ASN 108 N 0.57 0.76 0.20 0.19 2.35 -0.09 -2.81 115.58 116.76 1s0h h ASN 108 Ca 0.11 -0.57 -0.19 0.00 -0.55 0.00 0.00 56.30 55.10 1s0h h ASN 108 Cb 0.45 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1s0h h ASN 108 CO 0.02 1.37 -0.73 -0.37 -1.65 0.00 0.00 177.43 176.07 1s0h h VAL 109 N 0.36 1.37 -0.52 2.81 -1.51 -1.09 0.70 116.25 118.36 1s0h h VAL 109 Ca -0.09 -2.11 0.10 0.00 -1.23 0.00 0.00 66.70 63.37 1s0h h VAL 109 Cb 1.56 2.09 -0.11 0.00 -2.13 0.00 0.00 31.29 32.70 1s0h h VAL 109 CO 0.18 0.64 -0.25 0.25 -1.23 0.00 0.00 177.57 177.15 1s0h h LEU 110 N 0.31 -0.88 -0.83 4.19 6.46 -0.92 0.58 115.31 124.22 1s0h h LEU 110 Ca -0.03 0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1s0h h LEU 110 Cb 1.31 0.46 -0.04 0.00 -0.73 0.00 0.00 40.66 41.66 1s0h h LEU 110 CO 0.13 -0.27 0.54 0.58 -0.62 0.00 0.00 178.44 178.80 1s0h h VAL 111 N -0.13 1.19 -0.66 1.05 2.07 -0.99 -1.31 116.25 117.47 1s0h h VAL 111 Ca 0.23 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 1s0h h VAL 111 Cb 0.50 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1s0h h VAL 111 CO -0.60 0.20 0.11 0.58 0.02 0.00 0.00 177.57 177.89 1s0h h VAL 112 N 1.10 1.26 -0.34 2.57 2.07 0.08 0.39 116.25 123.38 1s0h h VAL 112 Ca 0.31 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1s0h h VAL 112 Cb -0.10 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 1s0h h VAL 112 CO -0.08 0.38 -0.19 0.58 0.02 0.00 0.00 177.57 178.28 1s0h h VAL 113 N 1.01 0.44 -0.01 2.57 2.07 -0.45 -1.36 116.25 120.53 1s0h h VAL 113 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1s0h h VAL 113 Cb 0.42 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1s0h h VAL 113 CO 0.01 0.00 -0.18 -0.07 0.02 0.00 0.00 177.57 177.35 1s0h h LEU 114 N -0.15 0.01 -0.39 2.57 3.38 -0.21 0.30 115.31 120.82 1s0h h LEU 114 Ca 0.17 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1s0h h LEU 114 Cb 0.41 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1s0h h LEU 114 CO -0.43 0.19 -0.00 0.00 0.09 0.00 0.00 178.44 178.29 1s0h h ALA 115 N 1.81 0.53 -0.56 1.53 0.00 0.21 -2.53 119.26 120.24 1s0h h ALA 115 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1s0h h ALA 115 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1s0h h ALA 115 CO 0.02 0.31 0.06 -0.09 0.00 0.00 0.00 179.25 179.55 1s0h h ARG 116 N 0.52 0.95 0.00 0.00 2.43 0.13 -2.68 114.38 115.74 1s0h h ARG 116 Ca 0.11 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1s0h h ARG 116 Cb 0.48 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1s0h h ARG 116 CO 0.02 0.93 0.00 0.45 -1.51 0.00 0.00 179.97 179.86 1s0h h HIS 117 N 0.84 0.00 -0.01 2.20 3.86 -1.19 -3.35 115.15 117.50 1s0h h HIS 117 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1s0h h HIS 117 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1s0h h HIS 117 CO 0.03 0.00 -0.06 1.19 0.86 0.00 0.00 177.93 179.95 1s0h n PHE 118 N -3.04 0.00 -1.64 2.45 3.01 -0.96 -5.06 117.46 112.22 1s0h n PHE 118 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1s0h n PHE 118 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1s0h n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s0h n GLY 119 N 0.57 1.15 0.00 1.37 0.00 -1.03 -2.05 105.19 105.21 1s0h n GLY 119 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1s0h n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s0h n LYS 120 N 3.70 0.00 0.15 1.61 5.02 -1.26 0.81 118.16 128.19 1s0h n LYS 120 Ca 0.00 0.31 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 1s0h n LYS 120 Cb 0.00 -1.61 0.44 0.00 -0.02 0.00 0.00 35.03 33.84 1s0h n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1s0h h ASP 121 N 0.00 0.00 -2.72 4.39 3.32 -1.81 -3.38 116.42 116.21 1s0h h ASP 121 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1s0h h ASP 121 Cb 0.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.65 1s0h h ASP 121 CO 0.00 0.00 0.72 0.12 -1.72 0.00 0.00 179.24 178.36 1s0h s PHE 122 N -3.26 2.58 0.40 4.55 5.36 0.24 -4.98 117.98 122.87 1s0h s PHE 122 Ca 0.07 -0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 55.76 1s0h s PHE 122 Cb 0.10 -4.35 -0.04 0.00 -0.34 0.00 0.00 43.02 38.39 1s0h s PHE 122 CO 0.52 -1.70 0.67 0.95 -1.46 0.00 0.00 175.22 174.19 1s0h s THR 123 N 4.56 4.98 0.20 0.12 -4.23 -1.26 -4.84 115.64 115.17 1s0h s THR 123 Ca 0.29 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1s0h s THR 123 Cb -0.13 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.16 1s0h s THR 123 CO 0.14 -0.63 1.02 -2.65 -0.54 0.00 0.00 174.62 171.96 1s0h n PRO 124 N -1.77 -0.05 0.07 3.99 -0.02 -1.26 0.35 135.00 136.31 1s0h n PRO 124 Ca -0.01 0.97 -0.22 0.00 -2.02 0.00 0.00 63.50 62.22 1s0h n PRO 124 Cb 0.55 -1.55 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 1s0h n PRO 124 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1s0h h GLU 125 N 0.00 0.38 0.00 -0.52 5.08 -1.99 -2.92 114.58 114.60 1s0h h GLU 125 Ca 0.40 -0.64 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 1s0h h GLU 125 Cb 0.83 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1s0h h GLU 125 CO -0.61 1.30 -0.59 1.25 -1.00 0.00 0.00 179.01 179.36 1s0h h LEU 126 N 0.10 0.00 -0.70 1.33 6.46 0.34 -1.52 115.31 121.33 1s0h h LEU 126 Ca -0.35 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.48 1s0h h LEU 126 Cb 2.09 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.96 1s0h h LEU 126 CO 0.17 0.59 0.39 -0.61 -0.62 0.00 0.00 178.44 178.36 1s0h h GLN 127 N 0.00 0.68 -0.77 1.25 4.15 0.61 -2.51 115.11 118.53 1s0h h GLN 127 Ca -0.01 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.41 1s0h h GLN 127 Cb 1.06 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.56 1s0h h GLN 127 CO 0.08 0.45 0.50 0.00 -1.93 0.00 0.00 178.83 177.93 1s0h h ALA 128 N 1.37 1.55 -0.09 3.38 0.00 -1.08 0.14 119.26 124.53 1s0h h ALA 128 Ca 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1s0h h ALA 128 Cb 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1s0h h ALA 128 CO -0.20 0.37 -0.07 0.77 0.00 0.00 0.00 179.25 180.12 1s0h h SER 129 N 0.93 0.22 0.83 0.00 0.02 -1.20 -1.10 113.55 113.27 1s0h h SER 129 Ca 0.31 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1s0h h SER 129 Cb 0.06 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s0h h SER 129 CO -0.09 0.64 0.00 1.88 -1.14 0.00 0.00 176.83 178.12 1s0h h TYR 130 N -0.19 0.00 0.00 3.45 0.05 -0.83 0.15 116.97 119.60 1s0h h TYR 130 Ca 0.02 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 1s0h h TYR 130 Cb 0.57 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1s0h h TYR 130 CO 0.08 0.00 -0.55 1.96 -1.05 0.00 0.00 178.16 178.60 1s0h h GLN 131 N 0.00 0.00 0.10 4.88 1.08 0.46 -0.77 115.11 120.87 1s0h h GLN 131 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1s0h h GLN 131 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1s0h h GLN 131 CO 0.00 0.55 -0.05 0.87 -0.95 0.00 0.00 178.83 179.25 1s0h h LYS 132 N 0.00 -0.13 -0.48 1.46 1.57 -0.69 -2.00 116.57 116.30 1s0h h LYS 132 Ca -0.01 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1s0h h LYS 132 Cb 1.27 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 1s0h h LYS 132 CO 0.07 0.38 0.18 0.28 -0.57 0.00 0.00 179.45 179.79 1s0h h VAL 133 N -0.80 0.85 -0.34 0.50 2.07 -0.67 1.62 116.25 119.48 1s0h h VAL 133 Ca -0.01 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1s0h h VAL 133 Cb 0.57 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1s0h h VAL 133 CO 0.02 0.07 -0.15 0.58 0.02 0.00 0.00 177.57 178.11 1s0h h VAL 134 N 0.36 1.29 0.12 2.57 2.07 -1.28 0.14 116.25 121.51 1s0h h VAL 134 Ca 0.23 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1s0h h VAL 134 Cb 0.22 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1s0h h VAL 134 CO -0.22 0.41 -0.21 0.00 0.02 0.00 0.00 177.57 177.57 1s0h h ALA 135 N 0.79 -0.81 -0.72 1.67 0.00 -0.46 -0.08 119.26 119.64 1s0h h ALA 135 Ca 0.08 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1s0h h ALA 135 Cb 0.68 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1s0h h ALA 135 CO 0.05 -0.85 -0.10 0.41 0.00 0.00 0.00 179.25 178.76 1s0h n GLY 136 N -1.21 -1.12 0.10 0.00 0.00 0.54 0.44 105.19 103.95 1s0h n GLY 136 Ca -0.04 0.75 -0.14 0.00 0.00 0.00 0.00 46.02 46.58 1s0h n GLY 136 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s0h h VAL 137 N 0.00 1.46 0.00 1.61 2.07 -0.48 -2.81 116.25 118.10 1s0h h VAL 137 Ca 0.38 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1s0h h VAL 137 Cb 0.68 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1s0h h VAL 137 CO -0.72 0.47 0.43 0.00 0.02 0.00 0.00 177.57 177.77 1s0h h ALA 138 N 0.39 1.42 0.00 1.67 0.00 0.19 -2.29 119.26 120.64 1s0h h ALA 138 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s0h h ALA 138 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1s0h h ALA 138 CO 0.04 -0.42 -0.54 -0.91 0.00 0.00 0.00 179.25 177.43 1s0h h ASN 139 N 0.00 0.00 -1.83 0.00 2.35 -1.14 -3.26 115.58 111.70 1s0h h ASN 139 Ca 0.00 -0.03 0.54 0.00 -0.55 0.00 0.00 56.30 56.25 1s0h h ASN 139 Cb 0.87 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.16 1s0h h ASN 139 CO 0.00 0.79 1.31 0.00 -1.65 0.00 0.00 177.43 177.88 1s0h n ALA 140 N -3.59 1.76 0.58 -0.83 0.00 -1.02 -0.22 120.51 117.18 1s0h n ALA 140 Ca -0.09 0.63 0.12 0.00 0.00 0.00 0.00 53.44 54.11 1s0h n ALA 140 Cb 0.28 -1.07 0.19 0.00 0.00 0.00 0.00 19.45 18.85 1s0h n ALA 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s0h n LEU 141 N -3.87 0.71 -0.75 0.00 4.77 -0.89 -3.57 117.00 113.40 1s0h n LEU 141 Ca 0.42 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 1s0h n LEU 141 Cb 1.88 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 42.83 1s0h n LEU 141 CO 0.40 -0.06 0.48 0.00 -1.33 0.00 0.00 177.39 176.88 1s0h n ALA 142 N -1.82 2.93 0.11 -1.18 0.00 0.69 -4.68 120.51 116.57 1s0h n ALA 142 Ca 0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 53.44 52.74 1s0h n ALA 142 Cb 0.44 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 1s0h n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s0h h HIS 143 N 3.66 -0.35 -0.48 0.00 6.17 -1.54 -3.07 115.15 119.54 1s0h h HIS 143 Ca 0.00 -0.01 -0.33 0.00 0.71 0.00 0.00 60.37 60.74 1s0h h HIS 143 Cb 0.88 0.11 -0.14 0.00 2.52 0.00 0.00 27.41 30.78 1s0h h HIS 143 CO 0.00 -0.14 0.42 1.17 0.71 0.00 0.00 177.93 180.09 1s0h n LYS 144 N -5.02 1.81 0.03 5.26 4.81 -1.26 -4.36 118.16 119.43 1s0h n LYS 144 Ca -0.06 -1.59 -0.01 0.00 -0.87 0.00 0.00 58.31 55.79 1s0h n LYS 144 Cb 0.18 -1.62 -0.01 0.00 0.02 0.00 0.00 35.03 33.61 1s0h n LYS 144 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1s0h h TYR 145 N 1.47 -0.07 0.00 5.64 -0.00 -1.79 -3.24 116.97 118.99 1s0h h TYR 145 Ca 0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.02 1s0h h TYR 145 Cb 0.92 0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 1s0h h TYR 145 CO 0.81 -0.04 0.00 -2.39 -0.00 0.00 0.00 178.16 176.54