#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9n h ASP 23 N 0.00 -0.00 -0.49 1.61 3.32 -2.04 -1.85 116.42 116.97 1u9n h ASP 23 Ca 0.00 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.17 1u9n h ASP 23 Cb 0.00 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.47 1u9n h ASP 23 CO 0.00 0.02 -0.26 0.44 -1.72 0.00 0.00 179.24 177.72 1u9n h ASP 24 N 0.07 -0.89 0.26 6.45 5.19 -2.04 0.59 116.42 126.05 1u9n h ASP 24 Ca 0.05 0.19 -0.11 0.00 -0.62 0.00 0.00 57.03 56.54 1u9n h ASP 24 Cb 0.05 0.46 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1u9n h ASP 24 CO -0.07 -0.27 -0.44 0.03 -3.12 0.00 0.00 179.24 175.37 1u9n h ARG 25 N -0.15 0.23 -0.15 3.56 3.08 -1.91 0.17 114.38 119.22 1u9n h ARG 25 Ca 0.22 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1u9n h ARG 25 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1u9n h ARG 25 CO -0.58 0.63 -0.37 1.49 -1.07 0.00 0.00 179.97 180.07 1u9n h GLU 26 N 0.19 0.51 -0.22 0.04 4.81 -0.40 -1.38 114.58 118.12 1u9n h GLU 26 Ca 0.01 -0.35 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1u9n h GLU 26 Cb 0.85 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1u9n h GLU 26 CO 0.07 0.97 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.05 1u9n h LEU 27 N 0.13 0.38 -0.98 1.64 3.38 0.25 -1.19 115.31 118.92 1u9n h LEU 27 Ca -0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1u9n h LEU 27 Cb 0.98 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1u9n h LEU 27 CO 0.08 0.59 -0.42 0.00 0.09 0.00 0.00 178.44 178.78 1u9n h ALA 28 N 1.45 1.15 -0.21 1.53 0.00 -0.53 0.15 119.26 122.79 1u9n h ALA 28 Ca 0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1u9n h ALA 28 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1u9n h ALA 28 CO 0.04 0.58 -0.55 0.82 0.00 0.00 0.00 179.25 180.13 1u9n h ILE 29 N 0.15 1.30 -0.02 0.00 1.08 -0.66 -1.89 117.51 117.48 1u9n h ILE 29 Ca 0.01 -1.77 -0.00 0.00 -0.39 0.00 0.00 64.86 62.71 1u9n h ILE 29 Cb 0.81 1.85 -0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1u9n h ILE 29 CO 0.06 0.56 0.01 -0.07 -0.69 0.00 0.00 178.15 178.02 1u9n h LEU 30 N 0.47 0.03 -0.48 1.44 3.38 -0.92 -1.11 115.31 118.11 1u9n h LEU 30 Ca -0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1u9n h LEU 30 Cb 1.17 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1u9n h LEU 30 CO 0.12 0.25 0.29 0.00 0.09 0.00 0.00 178.44 179.19 1u9n h ALA 31 N 0.79 0.62 -0.25 1.53 0.00 -0.77 0.03 119.26 121.21 1u9n h ALA 31 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1u9n h ALA 31 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1u9n h ALA 31 CO 0.00 0.10 0.04 1.15 0.00 0.00 0.00 179.25 180.54 1u9n h THR 32 N 0.64 0.87 -0.32 0.00 2.02 -1.27 -0.03 112.91 114.83 1u9n h THR 32 Ca 0.17 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1u9n h THR 32 Cb -0.01 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1u9n h THR 32 CO -0.03 0.02 0.20 0.00 0.37 0.00 0.00 175.52 176.08 1u9n h ALA 33 N 1.19 0.41 -0.76 6.16 0.00 -0.77 -1.08 119.26 124.41 1u9n h ALA 33 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1u9n h ALA 33 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1u9n h ALA 33 CO -0.16 -0.10 0.41 1.49 0.00 0.00 0.00 179.25 180.90 1u9n h GLU 34 N 0.42 1.05 0.41 0.00 4.81 -0.65 -0.84 114.58 119.79 1u9n h GLU 34 Ca 0.12 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1u9n h GLU 34 Cb -0.00 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1u9n h GLU 34 CO -0.02 0.77 -0.20 -0.91 -0.73 0.00 0.00 179.01 177.92 1u9n h ASN 35 N 1.06 -0.47 -0.62 1.04 -0.26 -0.57 -3.18 115.58 112.58 1u9n h ASN 35 Ca 0.27 -0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.96 1u9n h ASN 35 Cb 0.03 0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1u9n h ASN 35 CO -0.04 -0.23 0.41 -0.07 -1.06 0.00 0.00 177.43 176.44 1u9n h LEU 36 N -0.70 0.70 -0.08 1.61 3.38 -1.05 -1.73 115.31 117.43 1u9n h LEU 36 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1u9n h LEU 36 Cb 0.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1u9n h LEU 36 CO 0.09 0.50 0.11 0.18 0.09 0.00 0.00 178.44 179.42 1u9n n LEU 37 N -4.67 0.03 0.16 1.67 4.77 -0.34 0.14 117.00 118.77 1u9n n LEU 37 Ca 0.05 0.41 0.03 0.00 -0.03 0.00 0.00 56.01 56.47 1u9n n LEU 37 Cb 0.03 -0.41 0.14 0.00 -2.33 0.00 0.00 43.42 40.85 1u9n n LEU 37 CO 0.35 -0.42 0.54 -0.08 -1.33 0.00 0.00 177.39 176.45 1u9n h GLU 38 N 0.00 0.00 0.00 3.23 4.57 -1.29 -3.34 114.58 117.74 1u9n h GLU 38 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 1u9n h GLU 38 Cb 0.23 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1u9n h GLU 38 CO 0.00 0.47 -2.00 -0.25 -1.18 0.00 0.00 179.01 176.06 1u9n n ASP 39 N -3.33 1.33 -3.83 1.04 8.00 0.12 -5.03 116.55 114.85 1u9n n ASP 39 Ca 0.01 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 1u9n n ASP 39 Cb 0.66 0.94 -0.05 0.00 -0.02 0.00 0.00 41.12 42.65 1u9n n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u9n s ARG 40 N -2.43 1.31 0.71 -1.24 3.03 -0.98 -5.16 118.95 114.19 1u9n s ARG 40 Ca -0.07 -0.99 -0.13 0.00 2.03 0.00 0.00 55.73 56.57 1u9n s ARG 40 Cb 0.05 0.47 0.03 0.00 -1.03 0.00 0.00 34.95 34.46 1u9n s ARG 40 CO 0.61 -0.53 1.10 -1.25 -1.13 0.00 0.00 175.30 174.10 1u9n s PRO 41 N -3.91 2.56 0.26 3.89 0.04 -1.26 -4.15 135.00 132.43 1u9n s PRO 41 Ca 0.12 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 1u9n s PRO 41 Cb 0.00 -1.93 0.52 0.00 0.04 0.00 0.00 34.50 33.14 1u9n s PRO 41 CO -0.01 -1.42 1.73 1.25 0.04 0.00 0.00 177.00 178.59 1u9n h LEU 42 N -0.52 0.32 -1.99 -3.56 5.85 -1.93 0.38 115.31 113.85 1u9n h LEU 42 Ca -0.45 0.12 0.21 0.00 0.84 0.00 0.00 57.88 58.60 1u9n h LEU 42 Cb 1.24 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 1u9n h LEU 42 CO 0.53 0.10 0.55 0.00 -0.34 0.00 0.00 178.44 179.28 1u9n h ALA 43 N 1.58 2.66 -0.54 1.25 0.00 -2.02 0.40 119.26 122.59 1u9n h ALA 43 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1u9n h ALA 43 Cb 0.71 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1u9n h ALA 43 CO -0.42 -0.93 0.00 -0.25 0.00 0.00 0.00 179.25 177.65 1u9n n ASP 44 N -4.22 3.29 -4.30 0.00 10.43 0.12 -4.84 116.55 117.03 1u9n n ASP 44 Ca 0.15 -2.13 -0.32 0.00 2.57 0.00 0.00 54.79 55.05 1u9n n ASP 44 Cb 0.82 -0.42 -0.16 0.00 1.84 0.00 0.00 41.12 43.20 1u9n n ASP 44 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1u9n s ILE 45 N -1.46 2.48 0.29 0.53 1.01 0.14 -4.95 121.20 119.25 1u9n s ILE 45 Ca 0.38 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1u9n s ILE 45 Cb 0.22 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1u9n s ILE 45 CO 0.23 0.55 0.32 -0.94 0.00 0.00 0.00 174.94 175.10 1u9n s SER 46 N 0.20 5.71 0.40 3.58 1.04 -1.26 -4.96 113.70 118.41 1u9n s SER 46 Ca -0.12 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.15 1u9n s SER 46 Cb -0.16 -1.32 0.83 0.00 0.10 0.00 0.00 66.02 65.47 1u9n s SER 46 CO 0.06 -0.23 1.98 0.58 0.98 0.00 0.00 173.24 176.61 1u9n h VAL 47 N 1.21 1.14 -0.43 5.02 2.07 -1.99 -1.93 116.25 121.34 1u9n h VAL 47 Ca -0.47 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1u9n h VAL 47 Cb 1.25 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1u9n h VAL 47 CO 0.58 0.18 0.15 -0.78 0.02 0.00 0.00 177.57 177.72 1u9n h ASP 48 N 0.35 0.62 -0.04 0.57 3.58 -1.94 0.47 116.42 120.03 1u9n h ASP 48 Ca 0.08 -0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.38 1u9n h ASP 48 Cb 0.19 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 1u9n h ASP 48 CO 0.00 0.64 -0.27 0.44 -2.88 0.00 0.00 179.24 177.17 1u9n h ASP 49 N 0.56 -0.81 -0.92 2.28 3.45 -1.76 1.59 116.42 120.82 1u9n h ASP 49 Ca 0.14 0.11 0.04 0.00 0.43 0.00 0.00 57.03 57.75 1u9n h ASP 49 Cb 0.23 0.34 -0.05 0.00 -0.56 0.00 0.00 39.33 39.28 1u9n h ASP 49 CO -0.01 -0.33 0.60 -0.07 -1.57 0.00 0.00 179.24 177.86 1u9n h LEU 50 N -0.39 0.98 0.46 1.55 3.38 -1.13 0.31 115.31 120.48 1u9n h LEU 50 Ca 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1u9n h LEU 50 Cb 0.49 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1u9n h LEU 50 CO -0.26 0.67 -0.22 0.00 0.09 0.00 0.00 178.44 178.72 1u9n h ALA 51 N 1.47 -0.62 -0.86 1.53 0.00 0.20 -1.59 119.26 119.40 1u9n h ALA 51 Ca 0.37 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1u9n h ALA 51 Cb 0.04 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1u9n h ALA 51 CO -0.11 -0.69 0.52 0.87 0.00 0.00 0.00 179.25 179.83 1u9n h LYS 52 N -0.93 0.88 -0.33 0.00 1.57 0.24 -0.14 116.57 117.86 1u9n h LYS 52 Ca -0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1u9n h LYS 52 Cb 0.58 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1u9n h LYS 52 CO 0.10 0.58 0.17 0.78 -0.57 0.00 0.00 179.45 180.52 1u9n h GLY 53 N 0.91 0.48 -0.22 3.86 0.00 -0.32 -1.65 103.07 106.13 1u9n h GLY 53 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1u9n h GLY 53 CO -0.21 0.19 -0.23 0.00 0.00 0.00 0.00 176.54 176.29 1u9n n ALA 54 N -2.48 3.03 -2.43 3.60 0.00 -0.50 -4.89 120.51 116.84 1u9n n ALA 54 Ca 0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1u9n n ALA 54 Cb 0.10 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.49 1u9n n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u9n n GLY 55 N 1.32 0.16 3.44 0.00 0.00 -0.18 -4.92 105.19 105.01 1u9n n GLY 55 Ca 0.13 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1u9n n GLY 55 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u9n s ILE 56 N -2.66 0.85 0.55 -0.61 -4.36 -0.77 -5.03 121.20 109.17 1u9n s ILE 56 Ca 0.08 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.41 1u9n s ILE 56 Cb -0.04 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 1u9n s ILE 56 CO 0.10 0.00 0.86 -0.94 0.24 0.00 0.00 174.94 175.20 1u9n s SER 57 N -3.48 5.85 0.12 4.36 1.04 -1.26 -4.00 113.70 116.33 1u9n s SER 57 Ca 0.33 0.80 -0.19 0.00 0.48 0.00 0.00 55.95 57.37 1u9n s SER 57 Cb 0.07 -1.91 -0.05 0.00 0.10 0.00 0.00 66.02 64.23 1u9n s SER 57 CO 0.15 -0.89 1.76 -0.09 0.98 0.00 0.00 173.24 175.15 1u9n h ARG 58 N -0.04 0.18 0.00 4.02 2.43 -1.93 -2.18 114.38 116.88 1u9n h ARG 58 Ca -0.46 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1u9n h ARG 58 Cb 1.24 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1u9n h ARG 58 CO 0.61 0.12 -0.19 -1.00 -1.51 0.00 0.00 179.97 178.00 1u9n h PRO 59 N 0.19 0.00 0.00 0.20 0.13 -1.98 -1.80 132.00 128.74 1u9n h PRO 59 Ca 0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 1u9n h PRO 59 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1u9n h PRO 59 CO -0.07 0.19 -0.36 1.15 -0.23 0.00 0.00 178.00 178.68 1u9n h THR 60 N 0.00 0.96 -0.22 1.56 2.02 -1.82 -2.79 112.91 112.62 1u9n h THR 60 Ca -0.00 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1u9n h THR 60 Cb 0.37 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1u9n h THR 60 CO 0.03 0.36 0.14 0.15 0.37 0.00 0.00 175.52 176.56 1u9n h PHE 61 N 0.00 0.28 0.00 3.16 3.04 -0.72 -1.25 116.94 121.46 1u9n h PHE 61 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1u9n h PHE 61 Cb 0.80 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.22 1u9n h PHE 61 CO 0.00 0.20 0.00 0.66 -2.02 0.00 0.00 178.31 177.15 1u9n n TYR 62 N -4.92 0.00 0.08 0.41 4.01 -1.05 0.04 117.16 115.73 1u9n n TYR 62 Ca -0.03 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.81 1u9n n TYR 62 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1u9n n TYR 62 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1u9n n PHE 63 N -0.90 0.90 -0.05 -0.72 -0.00 -0.47 -4.33 117.46 111.89 1u9n n PHE 63 Ca 0.00 0.27 -0.05 0.00 -0.00 0.00 0.00 57.45 57.66 1u9n n PHE 63 Cb 0.00 -0.95 -0.08 0.00 -0.00 0.00 0.00 39.48 38.46 1u9n n PHE 63 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1u9n n TYR 64 N -2.68 0.00 -3.87 -5.13 4.02 0.11 -5.03 117.16 104.58 1u9n n TYR 64 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1u9n n TYR 64 Cb 0.60 -0.49 -0.12 0.00 -0.02 0.00 0.00 39.34 39.31 1u9n n TYR 64 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1u9n s PHE 65 N -2.24 -0.02 -0.38 -0.72 0.40 -0.88 -5.04 117.98 109.10 1u9n s PHE 65 Ca -0.06 0.06 0.26 0.00 -0.60 0.00 0.00 56.93 56.59 1u9n s PHE 65 Cb 0.03 -0.01 0.73 0.00 0.51 0.00 0.00 43.02 44.27 1u9n s PHE 65 CO 0.39 -0.10 1.74 -1.00 0.70 0.00 0.00 175.22 176.95 1u9n h PRO 66 N 5.54 0.00 -2.31 0.24 0.13 -1.87 -3.33 132.00 130.40 1u9n h PRO 66 Ca -0.27 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.05 1u9n h PRO 66 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1u9n h PRO 66 CO 0.44 0.00 0.51 -1.54 -0.23 0.00 0.00 178.00 177.18 1u9n s SER 67 N -5.58 -0.15 0.25 1.44 1.04 -1.26 -5.00 113.70 104.43 1u9n s SER 67 Ca 0.06 -0.42 0.09 0.00 0.48 0.00 0.00 55.95 56.16 1u9n s SER 67 Cb 0.08 0.47 0.26 0.00 0.10 0.00 0.00 66.02 66.93 1u9n s SER 67 CO 0.60 -0.88 1.56 0.07 0.98 0.00 0.00 173.24 175.56 1u9n h LYS 68 N 2.00 0.04 -0.11 4.02 2.10 -1.97 -2.48 116.57 120.16 1u9n h LYS 68 Ca -0.25 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.33 1u9n h LYS 68 Cb 1.23 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1u9n h LYS 68 CO 0.26 0.70 -0.12 0.93 -2.00 0.00 0.00 179.45 179.22 1u9n h GLU 69 N 0.03 0.17 0.00 0.07 3.07 -1.99 -0.98 114.58 114.95 1u9n h GLU 69 Ca -0.01 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 1u9n h GLU 69 Cb 1.19 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1u9n h GLU 69 CO 0.09 0.31 -0.52 0.00 -1.40 0.00 0.00 179.01 177.49 1u9n h ALA 70 N 1.71 1.03 -0.13 3.43 0.00 -1.84 -2.08 119.26 121.37 1u9n h ALA 70 Ca 0.04 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1u9n h ALA 70 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1u9n h ALA 70 CO 0.02 0.65 -0.15 0.28 0.00 0.00 0.00 179.25 180.05 1u9n h VAL 71 N 0.00 1.36 -0.78 0.00 2.07 -1.02 -2.15 116.25 115.73 1u9n h VAL 71 Ca -0.01 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1u9n h VAL 71 Cb 0.99 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 1u9n h VAL 71 CO 0.07 0.39 0.48 0.25 0.02 0.00 0.00 177.57 178.78 1u9n h LEU 72 N -0.05 0.92 -0.35 2.57 5.85 -1.32 -0.46 115.31 122.48 1u9n h LEU 72 Ca 0.02 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1u9n h LEU 72 Cb 0.70 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1u9n h LEU 72 CO 0.04 0.71 0.12 0.25 -0.34 0.00 0.00 178.44 179.21 1u9n h LEU 73 N 1.06 0.12 -0.94 2.25 5.85 -1.31 0.11 115.31 122.45 1u9n h LEU 73 Ca 0.28 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1u9n h LEU 73 Cb -0.06 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1u9n h LEU 73 CO -0.05 0.10 0.52 0.74 -0.34 0.00 0.00 178.44 179.41 1u9n h THR 74 N 0.26 1.26 -0.31 1.05 2.02 -0.85 0.54 112.91 116.89 1u9n h THR 74 Ca 0.16 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1u9n h THR 74 Cb 0.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1u9n h THR 74 CO -0.17 0.28 0.16 -0.07 0.37 0.00 0.00 175.52 176.10 1u9n h LEU 75 N 1.27 0.39 -0.61 2.58 3.38 0.04 -1.04 115.31 121.32 1u9n h LEU 75 Ca 0.32 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1u9n h LEU 75 Cb -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1u9n h LEU 75 CO -0.06 0.37 0.15 0.25 0.09 0.00 0.00 178.44 179.24 1u9n h LEU 76 N 0.37 0.94 -1.50 1.67 6.46 -0.46 -1.95 115.31 120.84 1u9n h LEU 76 Ca 0.11 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1u9n h LEU 76 Cb 0.07 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 1u9n h LEU 76 CO -0.02 0.93 0.22 -0.78 -0.62 0.00 0.00 178.44 178.17 1u9n h ASP 77 N 0.90 0.49 -0.16 1.25 1.82 -0.60 0.16 116.42 120.28 1u9n h ASP 77 Ca 0.19 -0.03 -0.17 0.00 -0.39 0.00 0.00 57.03 56.63 1u9n h ASP 77 Cb 0.36 -0.12 0.01 0.00 0.68 0.00 0.00 39.33 40.25 1u9n h ASP 77 CO 0.00 0.41 -0.57 0.03 -1.61 0.00 0.00 179.24 177.50 1u9n h ARG 78 N 0.56 0.66 -0.34 0.28 2.47 -0.79 -2.26 114.38 114.97 1u9n h ARG 78 Ca 0.15 -0.50 -0.07 0.00 -1.26 0.00 0.00 59.98 58.29 1u9n h ARG 78 Cb 0.03 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1u9n h ARG 78 CO -0.02 1.12 -0.06 0.28 0.56 0.00 0.00 179.97 181.85 1u9n h VAL 79 N 0.34 1.27 -0.44 2.04 2.07 -0.83 -1.71 116.25 118.99 1u9n h VAL 79 Ca -0.03 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1u9n h VAL 79 Cb 1.20 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1u9n h VAL 79 CO 0.12 0.36 0.28 0.58 0.02 0.00 0.00 177.57 178.93 1u9n h VAL 80 N 0.42 1.13 -0.11 2.57 2.07 -0.75 -2.20 116.25 119.38 1u9n h VAL 80 Ca 0.09 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1u9n h VAL 80 Cb 0.54 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1u9n h VAL 80 CO 0.03 0.13 -0.39 0.78 0.02 0.00 0.00 177.57 178.14 1u9n h ASN 81 N 0.60 0.24 -0.53 0.57 2.35 -1.38 -1.34 115.58 116.08 1u9n h ASN 81 Ca 0.16 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1u9n h ASN 81 Cb -0.03 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1u9n h ASN 81 CO -0.03 0.61 0.15 -0.61 -1.65 0.00 0.00 177.43 175.90 1u9n h GLN 82 N 0.20 0.84 -0.30 0.81 4.15 -0.99 -2.75 115.11 117.07 1u9n h GLN 82 Ca 0.02 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.20 1u9n h GLN 82 Cb 0.78 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1u9n h GLN 82 CO 0.06 0.79 -0.00 0.00 -1.93 0.00 0.00 178.83 177.74 1u9n h ALA 83 N 1.02 0.40 0.00 3.38 0.00 -1.22 -1.46 119.26 121.38 1u9n h ALA 83 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u9n h ALA 83 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u9n h ALA 83 CO -0.00 0.15 0.00 -3.47 0.00 0.00 0.00 179.25 175.93 1u9n n ASP 84 N -4.57 0.00 0.00 0.00 4.64 -0.52 -1.00 116.55 115.10 1u9n n ASP 84 Ca -0.03 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.38 1u9n n ASP 84 Cb 0.26 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.34 1u9n n ASP 84 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1u9n n ALA 86 N 0.65 0.00 -0.25 -1.67 0.00 -0.55 -0.81 120.51 117.87 1u9n n ALA 86 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1u9n n ALA 86 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1u9n n ALA 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u9n h LEU 87 N 0.00 1.08 -1.29 0.00 5.85 -1.33 -2.05 115.31 117.57 1u9n h LEU 87 Ca 0.00 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1u9n h LEU 87 Cb 0.00 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1u9n h LEU 87 CO 0.00 1.03 0.30 -0.61 -0.34 0.00 0.00 178.44 178.82 1u9n h GLN 88 N 1.08 0.79 -0.51 1.25 4.15 -1.22 -0.33 115.11 120.32 1u9n h GLN 88 Ca 0.22 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1u9n h GLN 88 Cb 0.37 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1u9n h GLN 88 CO 0.00 0.59 0.04 1.15 -1.93 0.00 0.00 178.83 178.68 1u9n h THR 89 N 0.80 1.26 -0.58 2.39 2.02 -1.67 -2.22 112.91 114.91 1u9n h THR 89 Ca 0.20 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 1u9n h THR 89 Cb 0.04 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1u9n h THR 89 CO -0.03 0.37 0.06 -0.07 0.37 0.00 0.00 175.52 176.21 1u9n h LEU 90 N 0.76 0.96 -0.47 2.58 3.38 -0.73 0.66 115.31 122.45 1u9n h LEU 90 Ca 0.15 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1u9n h LEU 90 Cb 0.47 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1u9n h LEU 90 CO 0.02 1.00 0.17 0.00 0.09 0.00 0.00 178.44 179.72 1u9n h ALA 91 N 0.99 0.56 -0.17 1.53 0.00 -0.87 -2.17 119.26 119.14 1u9n h ALA 91 Ca 0.17 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1u9n h ALA 91 Cb 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u9n h ALA 91 CO 0.02 -0.21 -0.61 0.93 0.00 0.00 0.00 179.25 179.37 1u9n h GLU 92 N 0.35 0.57 -3.03 0.00 5.08 -1.19 -3.37 114.58 113.00 1u9n h GLU 92 Ca 0.22 -0.39 -0.62 0.00 -1.00 0.00 0.00 59.36 57.57 1u9n h GLU 92 Cb 0.21 0.06 -0.42 0.00 0.50 0.00 0.00 28.75 29.10 1u9n h GLU 92 CO -0.22 1.01 -0.56 0.09 -1.00 0.00 0.00 179.01 178.33 1u9n n ASN 93 N -3.93 3.11 0.00 1.42 4.13 0.20 -5.07 115.26 115.12 1u9n n ASN 93 Ca -0.04 -3.23 0.00 0.00 1.68 0.00 0.00 54.58 52.99 1u9n n ASN 93 Cb 0.64 -0.76 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 1u9n n ASN 93 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1u9n n PRO 94 N 1.88 0.00 0.00 3.52 -0.02 -0.86 -4.58 135.00 134.94 1u9n n PRO 94 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1u9n n PRO 94 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 1u9n n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u9n n ALA 95 N -2.68 0.00 -1.73 3.55 0.00 -1.26 -4.95 120.51 113.45 1u9n n ALA 95 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1u9n n ALA 95 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1u9n n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u9n s ASP 96 N 0.00 4.36 0.30 0.00 1.11 -1.26 -4.81 116.67 116.36 1u9n s ASP 96 Ca 0.00 -0.05 -0.19 0.00 0.18 0.00 0.00 52.55 52.50 1u9n s ASP 96 Cb 0.00 -2.55 0.06 0.00 1.07 0.00 0.00 42.92 41.50 1u9n s ASP 96 CO 0.00 -3.40 0.87 0.28 1.18 0.00 0.00 175.17 174.10 1u9n s THR 97 N 12.95 0.00 1.01 -1.27 -1.32 -1.26 -5.18 115.64 120.57 1u9n s THR 97 Ca 0.85 -0.86 -0.15 0.00 -1.21 0.00 0.00 61.69 60.33 1u9n s THR 97 Cb -0.11 -2.73 0.19 0.00 -1.51 0.00 0.00 72.50 68.34 1u9n s THR 97 CO 0.08 0.00 1.15 1.51 -2.21 0.00 0.00 174.62 175.15 1u9n s ASP 98 N -3.14 2.65 0.37 8.08 1.47 -1.26 -4.95 116.67 119.89 1u9n s ASP 98 Ca 0.17 0.80 0.09 0.00 1.18 0.00 0.00 52.55 54.78 1u9n s ASP 98 Cb -0.04 -1.22 0.73 0.00 -0.34 0.00 0.00 42.92 42.05 1u9n s ASP 98 CO 0.09 -3.07 1.88 0.08 0.68 0.00 0.00 175.17 174.83 1u9n h ARG 99 N -1.86 0.25 -0.47 2.11 0.11 -2.02 -2.85 114.38 109.65 1u9n h ARG 99 Ca -0.49 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.45 1u9n h ARG 99 Cb 1.31 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.34 1u9n h ARG 99 CO 0.51 0.42 -0.01 1.49 0.10 0.00 0.00 179.97 182.48 1u9n h GLU 100 N 0.23 0.83 -1.86 0.08 4.81 -2.00 -2.84 114.58 113.83 1u9n h GLU 100 Ca 0.05 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1u9n h GLU 100 Cb 0.43 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1u9n h GLU 100 CO 0.03 0.88 0.00 -1.71 -0.73 0.00 0.00 179.01 177.48 1u9n n ASN 101 N -4.36 2.32 0.00 1.04 5.15 -1.08 -1.93 115.26 116.41 1u9n n ASN 101 Ca 0.00 -1.50 0.00 0.00 -0.60 0.00 0.00 54.58 52.49 1u9n n ASN 101 Cb 0.31 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1u9n n ASN 101 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1u9n n TRP 103 N 1.47 0.00 -0.19 1.20 7.02 -1.07 -1.18 117.44 124.68 1u9n n TRP 103 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 1u9n n TRP 103 Cb 0.25 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.16 1u9n n TRP 103 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1u9n h ARG 104 N 0.00 0.76 -0.56 -0.99 2.43 -1.67 0.03 114.38 114.38 1u9n h ARG 104 Ca 0.00 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1u9n h ARG 104 Cb 0.00 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1u9n h ARG 104 CO 0.00 0.55 0.10 1.79 -1.51 0.00 0.00 179.97 180.90 1u9n h THR 105 N 0.75 1.24 -0.22 0.20 1.35 -1.44 0.19 112.91 114.98 1u9n h THR 105 Ca 0.20 -0.92 -0.04 0.00 -0.55 0.00 0.00 66.41 65.11 1u9n h THR 105 Cb -0.01 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1u9n h THR 105 CO -0.04 0.34 -0.01 1.23 -0.25 0.00 0.00 175.52 176.79 1u9n h GLY 106 N 1.00 0.43 1.39 5.82 0.00 -1.70 -2.88 103.07 107.12 1u9n h GLY 106 Ca 0.18 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1u9n h GLY 106 CO 0.01 0.29 -0.10 -2.22 0.00 0.00 0.00 176.54 174.52 1u9n h ILE 107 N 0.15 1.25 -0.09 2.60 1.08 -0.78 -2.82 117.51 118.91 1u9n h ILE 107 Ca 0.06 -1.13 0.03 0.00 -0.39 0.00 0.00 64.86 63.43 1u9n h ILE 107 Cb 0.42 1.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1u9n h ILE 107 CO 0.01 0.38 0.06 -1.13 -0.69 0.00 0.00 178.15 176.79 1u9n h ASN 108 N 0.67 0.00 -0.71 1.72 -0.00 -0.52 -1.68 115.58 115.06 1u9n h ASN 108 Ca 0.12 0.00 0.07 0.00 -0.00 0.00 0.00 56.30 56.49 1u9n h ASN 108 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.82 1u9n h ASN 108 CO 0.03 0.00 0.39 0.58 -0.00 0.00 0.00 177.43 178.43 1u9n h VAL 109 N 0.00 0.93 0.21 2.57 2.07 -1.28 0.71 116.25 121.46 1u9n h VAL 109 Ca 0.04 -0.24 -0.32 0.00 0.82 0.00 0.00 66.70 67.00 1u9n h VAL 109 Cb 0.17 0.18 0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1u9n h VAL 109 CO -0.00 0.13 -1.40 -0.26 0.02 0.00 0.00 177.57 176.06 1u9n h PHE 110 N 0.69 0.94 -0.74 1.57 -1.00 -1.47 -1.43 116.94 115.51 1u9n h PHE 110 Ca 0.33 -0.66 -0.00 0.00 2.81 0.00 0.00 57.97 60.45 1u9n h PHE 110 Cb 0.26 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 1u9n h PHE 110 CO -0.08 1.51 0.45 0.35 -1.61 0.00 0.00 178.31 178.92 1u9n h PHE 111 N 0.17 0.97 0.04 -0.55 3.04 -1.19 -2.02 116.94 117.40 1u9n h PHE 111 Ca -0.23 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.61 1u9n h PHE 111 Cb 2.09 -0.32 0.01 0.00 2.56 0.00 0.00 35.95 40.29 1u9n h PHE 111 CO 0.12 0.65 -0.46 1.49 -2.02 0.00 0.00 178.31 178.09 1u9n h GLU 112 N 1.01 0.24 0.34 1.11 4.57 -0.94 -1.38 114.58 119.53 1u9n h GLU 112 Ca 0.27 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1u9n h GLU 112 Cb -0.04 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1u9n h GLU 112 CO -0.05 1.06 -0.16 1.15 -1.18 0.00 0.00 179.01 179.83 1u9n h THR 113 N -0.43 0.68 0.00 0.32 2.02 -1.26 -1.54 112.91 112.70 1u9n h THR 113 Ca -0.07 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 66.81 1u9n h THR 113 Cb 1.25 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1u9n h THR 113 CO 0.09 0.03 -0.65 -0.26 0.37 0.00 0.00 175.52 175.10 1u9n h PHE 114 N -0.54 0.00 0.00 3.16 -1.00 -1.53 -3.00 116.94 114.03 1u9n h PHE 114 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1u9n h PHE 114 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 1u9n h PHE 114 CO -0.03 0.65 0.00 0.78 -1.61 0.00 0.00 178.31 178.10 1u9n h GLY 115 N 2.78 0.00 -1.89 -1.45 0.00 -1.20 -1.79 103.07 99.52 1u9n h GLY 115 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1u9n h GLY 115 CO 0.09 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.07 1u9n n SER 116 N -2.71 2.93 -2.80 0.19 7.64 -0.59 -4.30 113.62 113.97 1u9n n SER 116 Ca 0.01 -1.92 -0.11 0.00 1.01 0.00 0.00 58.87 57.87 1u9n n SER 116 Cb 0.28 -0.23 0.04 0.00 -1.01 0.00 0.00 64.21 63.30 1u9n n SER 116 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1u9n n HIS 117 N 1.14 -0.16 -0.22 1.43 8.25 -0.69 -4.99 115.22 119.99 1u9n n HIS 117 Ca 0.18 -2.82 -0.02 0.00 -0.26 0.00 0.00 57.72 54.81 1u9n n HIS 117 Cb 0.52 0.18 0.09 0.00 1.12 0.00 0.00 29.99 31.89 1u9n n HIS 117 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1u9n h LYS 118 N 2.81 0.66 -0.32 -0.41 1.57 -1.71 -1.52 116.57 117.65 1u9n h LYS 118 Ca -0.08 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1u9n h LYS 118 Cb 1.14 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1u9n h LYS 118 CO 0.36 0.44 0.17 0.00 -0.57 0.00 0.00 179.45 179.85 1u9n h ALA 119 N 1.33 0.39 -0.30 3.86 0.00 -1.90 0.72 119.26 123.36 1u9n h ALA 119 Ca 0.29 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1u9n h ALA 119 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u9n h ALA 119 CO -0.17 -0.21 -0.25 0.28 0.00 0.00 0.00 179.25 178.90 1u9n h VAL 120 N 0.35 1.27 -0.21 0.00 2.07 -1.85 -0.83 116.25 117.05 1u9n h VAL 120 Ca 0.13 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1u9n h VAL 120 Cb 0.03 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1u9n h VAL 120 CO -0.08 0.43 0.04 0.74 0.02 0.00 0.00 177.57 178.72 1u9n h THR 121 N 0.52 1.22 0.47 2.57 2.02 -0.79 0.29 112.91 119.20 1u9n h THR 121 Ca 0.07 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1u9n h THR 121 Cb 0.71 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1u9n h THR 121 CO 0.05 0.22 -0.23 0.03 0.37 0.00 0.00 175.52 175.97 1u9n h ARG 122 N 0.15 -0.61 -0.68 6.66 3.08 -0.73 -1.11 114.38 121.14 1u9n h ARG 122 Ca 0.07 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.23 1u9n h ARG 122 Cb 0.30 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 1u9n h ARG 122 CO 0.00 -0.36 0.36 0.00 -1.07 0.00 0.00 179.97 178.90 1u9n h ALA 123 N -0.23 0.91 -0.94 0.04 0.00 -1.14 -1.12 119.26 116.77 1u9n h ALA 123 Ca -0.06 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1u9n h ALA 123 Cb 0.53 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1u9n h ALA 123 CO 0.11 0.00 0.62 0.78 0.00 0.00 0.00 179.25 180.76 1u9n h GLY 124 N 0.64 1.37 0.81 0.00 0.00 -0.28 -0.82 103.07 104.80 1u9n h GLY 124 Ca 0.32 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1u9n h GLY 124 CO -0.22 0.42 -0.00 -1.61 0.00 0.00 0.00 176.54 175.13 1u9n h GLN 125 N 1.21 0.35 0.00 4.80 -0.00 -0.13 -2.75 115.11 118.59 1u9n h GLN 125 Ca 0.37 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.90 1u9n h GLN 125 Cb -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.42 1u9n h GLN 125 CO -0.11 0.55 -0.04 0.00 0.00 0.00 0.00 178.83 179.23 1u9n h ALA 126 N 0.78 1.14 0.00 3.38 0.00 -0.89 -2.52 119.26 121.15 1u9n h ALA 126 Ca 0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1u9n h ALA 126 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1u9n h ALA 126 CO 0.01 0.05 -0.74 0.00 0.00 0.00 0.00 179.25 178.56 1u9n h ALA 127 N 1.96 0.53 -0.96 0.00 0.00 -0.86 -3.33 119.26 116.60 1u9n h ALA 127 Ca -0.00 -0.67 0.25 0.00 0.00 0.00 0.00 54.91 54.48 1u9n h ALA 127 Cb 0.21 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1u9n h ALA 127 CO 0.00 0.92 0.65 -0.09 0.00 0.00 0.00 179.25 180.73 1u9n h ARG 128 N 0.00 0.26 0.00 0.00 2.43 -1.28 0.19 114.38 115.98 1u9n h ARG 128 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1u9n h ARG 128 Cb 1.56 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 1u9n h ARG 128 CO 0.09 0.17 -0.20 0.00 -1.51 0.00 0.00 179.97 178.53 1u9n h ALA 129 N 1.58 1.63 0.00 2.80 0.00 -1.75 -3.25 119.26 120.27 1u9n h ALA 129 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1u9n h ALA 129 Cb 1.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1u9n h ALA 129 CO -0.15 0.25 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1u9n n THR 130 N -4.24 0.16 -3.95 0.00 -2.24 -0.45 -4.98 114.28 98.58 1u9n n THR 130 Ca -0.02 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 1u9n n THR 130 Cb 0.26 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 1u9n n THR 130 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1u9n s SER 131 N -0.16 4.03 0.47 3.42 0.15 -0.07 -4.96 113.70 116.58 1u9n s SER 131 Ca 0.00 -1.32 0.25 0.00 0.70 0.00 0.00 55.95 55.58 1u9n s SER 131 Cb 0.00 -1.25 1.15 0.00 -1.71 0.00 0.00 66.02 64.21 1u9n s SER 131 CO 0.00 -0.25 1.93 -0.37 1.20 0.00 0.00 173.24 175.75 1u9n h VAL 132 N 6.67 0.58 -0.02 4.45 -1.51 -1.88 -1.15 116.25 123.39 1u9n h VAL 132 Ca -0.17 -0.88 -0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1u9n h VAL 132 Cb 1.06 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1u9n h VAL 132 CO 0.43 0.18 0.01 -0.33 -1.23 0.00 0.00 177.57 176.63 1u9n h GLU 133 N 0.00 0.03 -0.18 5.19 3.07 -1.96 0.06 114.58 120.80 1u9n h GLU 133 Ca -0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1u9n h GLU 133 Cb 0.57 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1u9n h GLU 133 CO 0.02 0.19 0.07 0.28 -1.40 0.00 0.00 179.01 178.17 1u9n h VAL 134 N -0.13 1.16 -0.27 3.13 2.07 -1.83 -1.07 116.25 119.31 1u9n h VAL 134 Ca 0.01 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1u9n h VAL 134 Cb 0.17 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1u9n h VAL 134 CO -0.00 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.79 1u9n h ALA 135 N 0.91 0.28 -0.22 1.67 0.00 -1.12 -1.19 119.26 119.58 1u9n h ALA 135 Ca 0.06 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1u9n h ALA 135 Cb 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1u9n h ALA 135 CO -0.00 -0.36 -0.30 0.93 0.00 0.00 0.00 179.25 179.51 1u9n h GLU 136 N 0.15 0.44 0.01 0.00 5.08 -0.93 -0.84 114.58 118.50 1u9n h GLU 136 Ca 0.12 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1u9n h GLU 136 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1u9n h GLU 136 CO -0.16 0.70 -0.01 1.25 -1.00 0.00 0.00 179.01 179.79 1u9n h LEU 137 N 0.39 -0.02 -0.65 1.33 5.85 -0.80 -1.29 115.31 120.12 1u9n h LEU 137 Ca 0.05 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1u9n h LEU 137 Cb 0.72 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1u9n h LEU 137 CO 0.06 0.22 0.26 -0.25 -0.34 0.00 0.00 178.44 178.39 1u9n h TRP 138 N -0.25 0.98 -0.53 1.25 2.91 -1.13 -2.82 115.95 116.37 1u9n h TRP 138 Ca -0.00 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.94 1u9n h TRP 138 Cb 0.24 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 1u9n h TRP 138 CO 0.00 0.77 0.30 1.03 -1.03 0.00 0.00 178.44 179.51 1u9n h SER 139 N 0.91 0.66 -0.46 2.65 0.87 -1.10 -3.12 113.55 113.96 1u9n h SER 139 Ca 0.22 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1u9n h SER 139 Cb 0.20 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1u9n h SER 139 CO -0.02 0.55 0.26 0.74 -0.53 0.00 0.00 176.83 177.84 1u9n h THR 140 N 0.71 1.16 0.00 2.23 2.02 -1.06 -1.87 112.91 116.09 1u9n h THR 140 Ca 0.19 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1u9n h THR 140 Cb 0.03 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1u9n h THR 140 CO -0.03 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.51 1u9n n PHE 141 N -4.70 0.00 0.00 3.16 3.01 -1.08 -2.12 117.46 115.74 1u9n n PHE 141 Ca 0.01 -0.53 0.00 0.00 1.01 0.00 0.00 57.45 57.94 1u9n n PHE 141 Cb 0.07 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1u9n n PHE 141 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1u9n n GLN 143 N 1.10 0.00 -0.13 -1.08 6.02 -0.70 0.74 117.38 123.32 1u9n n GLN 143 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1u9n n GLN 143 Cb 0.37 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.61 1u9n n GLN 143 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1u9n h LYS 144 N 0.00 0.62 0.00 -1.09 3.64 -1.68 -0.17 116.57 117.89 1u9n h LYS 144 Ca 0.00 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 1u9n h LYS 144 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1u9n h LYS 144 CO 0.00 0.68 -0.46 -1.49 -2.27 0.00 0.00 179.45 175.92 1u9n h TRP 145 N 0.46 0.00 -0.08 1.91 6.55 0.02 -2.34 115.95 122.47 1u9n h TRP 145 Ca 0.11 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.75 1u9n h TRP 145 Cb 0.37 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.68 1u9n h TRP 145 CO 0.03 0.46 -0.74 0.82 -1.05 0.00 0.00 178.44 177.95 1u9n h ILE 146 N 0.00 1.32 -0.79 1.49 2.04 -1.74 -2.31 117.51 117.53 1u9n h ILE 146 Ca -0.00 -2.01 -0.02 0.00 1.00 0.00 0.00 64.86 63.83 1u9n h ILE 146 Cb 0.99 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 39.26 1u9n h ILE 146 CO 0.06 0.62 0.42 0.00 0.00 0.00 0.00 178.15 179.25 1u9n h ALA 147 N 0.46 1.26 -0.28 1.87 0.00 -0.89 -1.07 119.26 120.61 1u9n h ALA 147 Ca -0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1u9n h ALA 147 Cb 1.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1u9n h ALA 147 CO 0.15 0.59 -0.11 -0.92 0.00 0.00 0.00 179.25 178.96 1u9n h TYR 148 N 1.10 0.66 -0.86 0.00 3.20 -1.40 -1.35 116.97 118.31 1u9n h TYR 148 Ca 0.28 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1u9n h TYR 148 Cb 0.04 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 1u9n h TYR 148 CO 0.01 0.80 0.55 1.15 -1.64 0.00 0.00 178.16 179.03 1u9n h THR 149 N 0.32 1.13 -0.47 1.81 2.02 -1.12 -0.76 112.91 115.85 1u9n h THR 149 Ca 0.07 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 1u9n h THR 149 Cb 0.61 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1u9n h THR 149 CO 0.04 0.20 -0.05 0.00 0.37 0.00 0.00 175.52 176.08 1u9n h ALA 150 N 1.36 1.04 -0.40 6.16 0.00 -1.05 -0.77 119.26 125.60 1u9n h ALA 150 Ca 0.35 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1u9n h ALA 150 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1u9n h ALA 150 CO -0.12 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.73 1u9n h ALA 151 N 1.20 0.54 -0.42 0.00 0.00 -0.45 0.89 119.26 121.02 1u9n h ALA 151 Ca 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1u9n h ALA 151 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1u9n h ALA 151 CO 0.03 0.31 0.11 0.28 0.00 0.00 0.00 179.25 179.97 1u9n h VAL 152 N 0.53 1.23 -0.57 0.00 2.07 -0.99 0.99 116.25 119.51 1u9n h VAL 152 Ca 0.11 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1u9n h VAL 152 Cb 0.47 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1u9n h VAL 152 CO 0.02 0.27 0.37 0.40 0.02 0.00 0.00 177.57 178.65 1u9n h ILE 153 N 0.54 1.13 -0.49 4.57 2.04 -0.94 0.16 117.51 124.51 1u9n h ILE 153 Ca 0.13 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1u9n h ILE 153 Cb 0.31 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1u9n h ILE 153 CO 0.00 0.14 0.26 0.44 0.00 0.00 0.00 178.15 178.99 1u9n h ASP 154 N 0.75 0.62 -0.85 1.72 3.45 -0.53 0.13 116.42 121.71 1u9n h ASP 154 Ca 0.21 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 1u9n h ASP 154 Cb -0.06 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.51 1u9n h ASP 154 CO -0.06 0.55 0.44 0.00 -1.57 0.00 0.00 179.24 178.60 1u9n h ALA 155 N 1.10 1.10 -0.74 3.45 0.00 -0.37 0.20 119.26 123.99 1u9n h ALA 155 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1u9n h ALA 155 Cb 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1u9n h ALA 155 CO -0.03 0.64 0.31 1.49 0.00 0.00 0.00 179.25 181.66 1u9n h GLU 156 N 1.20 1.11 -0.43 0.00 4.57 -0.07 -2.23 114.58 118.72 1u9n h GLU 156 Ca 0.30 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 58.15 1u9n h GLU 156 Cb 0.08 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1u9n h GLU 156 CO -0.04 0.90 -0.26 0.00 -1.18 0.00 0.00 179.01 178.42 1u9n h ARG 157 N 1.07 0.94 -0.75 1.92 3.08 0.07 -1.89 114.38 118.82 1u9n h ARG 157 Ca 0.25 -0.44 0.06 0.00 0.07 0.00 0.00 59.98 59.93 1u9n h ARG 157 Cb 0.19 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1u9n h ARG 157 CO -0.02 1.10 0.44 -0.44 -1.07 0.00 0.00 179.97 179.98 1u9n h ASP 158 N 0.78 0.67 0.05 7.04 3.45 -0.33 -1.46 116.42 126.61 1u9n h ASP 158 Ca 0.09 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1u9n h ASP 158 Cb 0.85 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 1u9n h ASP 158 CO 0.07 0.43 0.00 -2.11 -1.57 0.00 0.00 179.24 176.06 1u9n n ARG 159 N -4.72 0.88 -0.74 3.56 1.85 -0.87 -4.89 116.66 111.74 1u9n n ARG 159 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1u9n n ARG 159 Cb 0.18 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 1u9n n ARG 159 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u9n n GLY 160 N 0.87 0.73 0.13 2.89 0.00 -0.55 -4.95 105.19 104.31 1u9n n GLY 160 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1u9n n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9n h ALA 161 N 0.00 -0.03 -3.81 4.61 0.00 -1.56 -3.45 119.26 115.02 1u9n h ALA 161 Ca 0.00 -0.89 -0.69 0.00 0.00 0.00 0.00 54.91 53.34 1u9n h ALA 161 Cb 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 17.79 17.69 1u9n h ALA 161 CO 0.00 0.84 -0.73 0.00 0.00 0.00 0.00 179.25 179.36 1u9n s ALA 162 N -2.62 2.82 0.45 0.00 0.00 -1.04 -4.94 121.76 116.42 1u9n s ALA 162 Ca -0.07 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.74 1u9n s ALA 162 Cb 0.05 -1.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.98 1u9n s ALA 162 CO 0.92 0.54 1.07 -1.25 0.00 0.00 0.00 175.76 177.04 1u9n s PRO 163 N -0.69 3.89 -0.91 0.00 0.04 -1.26 -4.26 135.00 131.81 1u9n s PRO 163 Ca 0.10 1.51 -0.23 0.00 0.04 0.00 0.00 61.00 62.42 1u9n s PRO 163 Cb -0.11 -2.30 0.07 0.00 0.04 0.00 0.00 34.50 32.19 1u9n s PRO 163 CO 0.01 -0.38 1.29 1.03 0.04 0.00 0.00 177.00 178.99 1u9n s ARG 164 N -2.88 3.46 0.00 4.56 0.52 -1.26 -4.84 118.95 118.52 1u9n s ARG 164 Ca 0.64 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 1u9n s ARG 164 Cb -0.21 -4.91 0.00 0.00 0.52 0.00 0.00 34.95 30.35 1u9n s ARG 164 CO 0.26 -2.05 0.00 0.25 0.02 0.00 0.00 175.30 173.77 1u9n n THR 165 N 6.37 0.00 -1.50 0.02 -2.24 -1.26 -5.06 114.28 110.61 1u9n n THR 165 Ca 0.21 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.68 1u9n n THR 165 Cb 0.50 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1u9n n THR 165 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u9n s LEU 166 N 0.00 3.15 0.22 3.22 1.43 -1.26 -4.93 118.68 120.51 1u9n s LEU 166 Ca 0.00 1.76 -0.32 0.00 -1.03 0.00 0.00 54.13 54.54 1u9n s LEU 166 Cb 0.00 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.58 1u9n s LEU 166 CO 0.00 -1.69 1.69 -2.65 0.23 0.00 0.00 176.35 173.93 1u9n n PRO 167 N -3.13 2.72 -0.25 1.29 -0.02 -1.26 -4.86 135.00 129.50 1u9n n PRO 167 Ca 0.09 0.98 0.05 0.00 -2.02 0.00 0.00 63.50 62.60 1u9n n PRO 167 Cb 0.53 -2.81 0.18 0.00 -0.02 0.00 0.00 33.50 31.38 1u9n n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u9n h ALA 168 N 6.34 0.98 -0.27 3.55 0.00 -1.93 -1.78 119.26 126.15 1u9n h ALA 168 Ca -0.44 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1u9n h ALA 168 Cb 1.21 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1u9n h ALA 168 CO 0.92 -0.29 -0.26 1.25 0.00 0.00 0.00 179.25 180.87 1u9n h HIS 169 N 0.34 0.60 -0.10 0.00 -0.00 -1.89 -0.07 115.15 114.03 1u9n h HIS 169 Ca 0.41 -0.13 -0.20 0.00 -0.00 0.00 0.00 60.37 60.45 1u9n h HIS 169 Cb 0.67 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 1u9n h HIS 169 CO -0.22 0.74 -0.75 0.93 -0.00 0.00 0.00 177.93 178.63 1u9n h GLU 170 N 0.46 0.53 -0.26 5.26 5.08 -1.82 -1.43 114.58 122.40 1u9n h GLU 170 Ca 0.07 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1u9n h GLU 170 Cb 0.70 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1u9n h GLU 170 CO 0.05 1.07 0.06 1.25 -1.00 0.00 0.00 179.01 180.44 1u9n h LEU 171 N 0.36 0.40 -0.97 1.33 5.85 -1.15 -2.69 115.31 118.43 1u9n h LEU 171 Ca -0.04 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1u9n h LEU 171 Cb 1.35 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1u9n h LEU 171 CO 0.14 0.53 0.64 0.00 -0.34 0.00 0.00 178.44 179.41 1u9n h ALA 172 N 0.88 1.26 0.11 1.25 0.00 -0.95 -2.10 119.26 119.72 1u9n h ALA 172 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1u9n h ALA 172 Cb 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u9n h ALA 172 CO 0.00 0.57 -0.05 1.15 0.00 0.00 0.00 179.25 180.92 1u9n h THR 173 N 1.27 0.93 -0.50 0.00 2.02 -1.12 -1.08 112.91 114.44 1u9n h THR 173 Ca 0.37 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1u9n h THR 173 Cb -0.07 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1u9n h THR 173 CO -0.10 0.04 0.32 0.00 0.37 0.00 0.00 175.52 176.15 1u9n h ALA 174 N 0.68 0.63 -0.56 6.16 0.00 -1.31 0.79 119.26 125.66 1u9n h ALA 174 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1u9n h ALA 174 Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1u9n h ALA 174 CO 0.02 0.09 0.28 -0.07 0.00 0.00 0.00 179.25 179.57 1u9n h LEU 175 N 0.68 0.72 -0.45 0.00 3.38 -1.33 -2.92 115.31 115.39 1u9n h LEU 175 Ca 0.18 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1u9n h LEU 175 Cb -0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1u9n h LEU 175 CO -0.04 0.64 0.01 0.78 0.09 0.00 0.00 178.44 179.92 1u9n h ASN 176 N 0.75 0.77 0.00 -0.43 2.35 -0.90 -1.80 115.58 116.32 1u9n h ASN 176 Ca 0.19 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1u9n h ASN 176 Cb 0.10 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1u9n h ASN 176 CO -0.03 0.88 0.00 0.18 -1.65 0.00 0.00 177.43 176.82 1u9n n LEU 177 N -4.39 0.91 0.00 1.61 4.77 0.25 -1.40 117.00 118.75 1u9n n LEU 177 Ca 0.00 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1u9n n LEU 177 Cb 0.29 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1u9n n LEU 177 CO 0.41 0.16 0.00 0.59 -1.33 0.00 0.00 177.39 177.22 1u9n n ASN 179 N 1.08 0.00 -0.05 -1.43 5.03 -0.68 -1.94 115.26 117.27 1u9n n ASN 179 Ca 0.00 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 1u9n n ASN 179 Cb 0.13 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.87 1u9n n ASN 179 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1u9n h GLU 180 N 0.00 -0.04 -0.08 3.52 4.81 -1.51 0.18 114.58 121.45 1u9n h GLU 180 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1u9n h GLU 180 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1u9n h GLU 180 CO 0.00 -0.03 -0.24 -0.09 -0.73 0.00 0.00 179.01 177.93 1u9n h ARG 181 N -0.04 0.30 -0.24 1.92 9.65 -1.66 -2.80 114.38 121.51 1u9n h ARG 181 Ca 0.12 -0.22 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 1u9n h ARG 181 Cb 0.23 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1u9n h ARG 181 CO -0.27 0.84 0.02 1.15 2.80 0.00 0.00 179.97 184.51 1u9n h THR 182 N -0.18 1.24 -0.52 0.20 2.02 -1.79 -1.08 112.91 112.80 1u9n h THR 182 Ca -0.01 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1u9n h THR 182 Cb 0.86 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1u9n h THR 182 CO 0.05 0.26 0.27 -0.07 0.37 0.00 0.00 175.52 176.40 1u9n h LEU 183 N 0.19 0.67 -0.23 2.58 3.38 -0.76 -1.65 115.31 119.50 1u9n h LEU 183 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1u9n h LEU 183 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1u9n h LEU 183 CO 0.01 0.59 0.15 0.15 0.09 0.00 0.00 178.44 179.43 1u9n h PHE 184 N 0.70 0.30 -0.79 1.13 3.57 -1.43 0.19 116.94 120.60 1u9n h PHE 184 Ca 0.18 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1u9n h PHE 184 Cb 0.09 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 1u9n h PHE 184 CO -0.01 0.20 0.46 0.00 -2.23 0.00 0.00 178.31 176.74 1u9n h ALA 185 N 1.07 1.09 -0.37 2.41 0.00 -0.95 -0.03 119.26 122.49 1u9n h ALA 185 Ca 0.08 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1u9n h ALA 185 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1u9n h ALA 185 CO -0.02 0.15 -0.20 0.77 0.00 0.00 0.00 179.25 179.96 1u9n h SER 186 N 0.83 0.81 0.09 0.00 0.02 -0.90 -0.21 113.55 114.18 1u9n h SER 186 Ca 0.36 -0.41 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1u9n h SER 186 Cb 0.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1u9n h SER 186 CO -0.20 1.05 -0.25 -0.26 -1.14 0.00 0.00 176.83 176.03 1u9n h PHE 187 N 0.57 0.31 -0.01 3.45 0.05 -0.53 -2.73 116.94 118.06 1u9n h PHE 187 Ca 0.08 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1u9n h PHE 187 Cb 0.75 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.62 1u9n h PHE 187 CO 0.06 0.52 -0.30 0.00 -0.18 0.00 0.00 178.31 178.41 1u9n n ALA 188 N -2.48 3.15 -2.82 2.45 0.00 -0.06 -4.94 120.51 115.81 1u9n n ALA 188 Ca -0.01 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1u9n n ALA 188 Cb 0.37 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.70 1u9n n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u9n n GLY 189 N 1.38 -0.18 3.68 0.00 0.00 -0.63 -4.98 105.19 104.46 1u9n n GLY 189 Ca 0.11 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1u9n n GLY 189 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9n s GLU 190 N -5.39 0.94 -0.28 1.61 2.02 -0.19 -4.99 118.70 112.43 1u9n s GLU 190 Ca 0.22 0.89 0.03 0.00 0.02 0.00 0.00 54.97 56.13 1u9n s GLU 190 Cb -0.10 -1.77 0.07 0.00 0.10 0.00 0.00 34.13 32.44 1u9n s GLU 190 CO 0.28 -2.48 -0.05 -1.14 0.02 0.00 0.00 175.26 171.88 1u9n s GLN 191 N -4.85 1.90 0.52 1.61 2.00 -1.26 -3.00 119.66 116.59 1u9n s GLN 191 Ca 0.64 -1.42 -0.02 0.00 -2.00 0.00 0.00 55.36 52.57 1u9n s GLN 191 Cb -0.19 -2.90 0.01 0.00 0.80 0.00 0.00 33.01 30.73 1u9n s GLN 191 CO 0.58 -0.68 0.77 -1.25 -0.50 0.00 0.00 175.29 174.21 1u9n s PRO 192 N 1.11 2.86 -0.09 1.67 0.04 -1.26 -5.22 135.00 134.11 1u9n s PRO 192 Ca -0.03 -0.41 -0.31 0.00 0.04 0.00 0.00 61.00 60.29 1u9n s PRO 192 Cb -0.19 -2.45 0.12 0.00 0.04 0.00 0.00 34.50 32.02 1u9n s PRO 192 CO -0.07 -0.53 1.01 -1.54 0.04 0.00 0.00 177.00 175.91 1u9n s SER 193 N -4.30 -0.28 0.06 6.66 1.04 -1.16 -4.91 113.70 110.80 1u9n s SER 193 Ca 0.52 0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.75 1u9n s SER 193 Cb -0.10 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 1u9n s SER 193 CO 0.40 -0.46 0.72 -0.69 0.98 0.00 0.00 173.24 174.20 1u9n s VAL 194 N -2.67 4.69 0.39 5.02 1.01 -1.26 -5.00 120.40 122.58 1u9n s VAL 194 Ca 0.06 1.55 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 1u9n s VAL 194 Cb -0.01 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1u9n s VAL 194 CO -0.07 0.42 1.46 -0.81 0.00 0.00 0.00 175.10 176.11 1u9n n PRO 195 N 2.47 2.55 -0.26 2.72 -0.04 -1.26 -4.50 135.00 136.67 1u9n n PRO 195 Ca -0.04 0.90 0.22 0.00 -0.04 0.00 0.00 63.50 64.53 1u9n n PRO 195 Cb 0.50 -2.64 0.54 0.00 -0.04 0.00 0.00 33.50 31.87 1u9n n PRO 195 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1u9n h GLU 196 N 2.78 0.33 0.00 0.54 4.81 -1.95 0.46 114.58 121.55 1u9n h GLU 196 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1u9n h GLU 196 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1u9n h GLU 196 CO 0.63 0.22 0.00 0.00 -0.73 0.00 0.00 179.01 179.13 1u9n n ALA 197 N -2.54 2.01 0.02 2.92 0.00 -1.26 -3.19 120.51 118.48 1u9n n ALA 197 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.57 1u9n n ALA 197 Cb 0.80 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1u9n n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u9n n ARG 198 N -1.34 2.91 -0.34 0.00 5.12 0.15 -4.83 116.66 118.33 1u9n n ARG 198 Ca 0.08 -0.01 -0.02 0.00 -1.93 0.00 0.00 57.85 55.98 1u9n n ARG 198 Cb 0.18 -0.82 0.11 0.00 -1.16 0.00 0.00 32.46 30.76 1u9n n ARG 198 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 1u9n h VAL 199 N 0.00 1.19 0.21 1.55 3.04 -1.09 -2.30 116.25 118.86 1u9n h VAL 199 Ca 0.00 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1u9n h VAL 199 Cb 0.04 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.21 1u9n h VAL 199 CO 0.00 0.22 -0.14 0.25 -1.01 0.00 0.00 177.57 176.88 1u9n h LEU 200 N 1.19 -0.36 -0.94 3.16 6.46 -1.88 -1.08 115.31 121.86 1u9n h LEU 200 Ca 0.35 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.20 1u9n h LEU 200 Cb -0.07 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 39.91 1u9n h LEU 200 CO -0.10 -0.23 0.60 0.44 -0.62 0.00 0.00 178.44 178.53 1u9n h ASP 201 N -0.35 0.94 0.07 1.25 3.45 -1.89 0.82 116.42 120.71 1u9n h ASP 201 Ca -0.02 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1u9n h ASP 201 Cb 0.30 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1u9n h ASP 201 CO 0.01 0.60 -0.03 0.74 -1.57 0.00 0.00 179.24 178.98 1u9n h THR 202 N 1.08 0.98 -0.35 0.35 2.02 -1.11 -1.94 112.91 113.95 1u9n h THR 202 Ca 0.41 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 1u9n h THR 202 Cb 0.18 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1u9n h THR 202 CO -0.18 0.05 -0.07 -0.07 0.37 0.00 0.00 175.52 175.62 1u9n h LEU 203 N -0.18 0.66 -0.79 2.58 3.38 -0.86 -2.76 115.31 117.33 1u9n h LEU 203 Ca -0.01 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.64 1u9n h LEU 203 Cb 0.15 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1u9n h LEU 203 CO 0.02 0.86 0.50 0.58 0.09 0.00 0.00 178.44 180.48 1u9n h VAL 204 N 0.45 1.10 -0.65 1.22 2.07 -0.80 0.22 116.25 119.86 1u9n h VAL 204 Ca 0.09 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1u9n h VAL 204 Cb 0.56 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1u9n h VAL 204 CO 0.03 0.18 0.32 -0.74 0.02 0.00 0.00 177.57 177.38 1u9n h HIS 205 N 0.96 0.93 -0.44 1.57 -0.00 -1.27 0.32 115.15 117.22 1u9n h HIS 205 Ca 0.32 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.59 1u9n h HIS 205 Cb 0.05 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.15 1u9n h HIS 205 CO -0.03 0.69 0.03 0.82 -0.00 0.00 0.00 177.93 179.44 1u9n h ILE 206 N 0.90 1.26 0.17 6.26 1.08 -1.11 -1.28 117.51 124.78 1u9n h ILE 206 Ca 0.22 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1u9n h ILE 206 Cb 0.10 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1u9n h ILE 206 CO -0.03 0.34 -0.08 -0.50 -0.69 0.00 0.00 178.15 177.19 1u9n h TRP 207 N 0.61 -0.21 -0.37 1.37 4.06 -0.72 -2.26 115.95 118.42 1u9n h TRP 207 Ca 0.13 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1u9n h TRP 207 Cb 0.45 0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 1u9n h TRP 207 CO 0.03 -0.04 0.23 0.28 -3.56 0.00 0.00 178.44 175.39 1u9n h VAL 208 N -0.34 1.11 -0.40 1.49 2.07 -0.88 -1.04 116.25 118.27 1u9n h VAL 208 Ca -0.02 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1u9n h VAL 208 Cb 0.26 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1u9n h VAL 208 CO 0.04 0.11 -0.26 0.71 0.02 0.00 0.00 177.57 178.19 1u9n h THR 209 N 0.50 1.27 0.00 2.57 1.35 -1.27 -1.87 112.91 115.46 1u9n h THR 209 Ca 0.14 -1.40 -0.10 0.00 -0.55 0.00 0.00 66.41 64.50 1u9n h THR 209 Cb -0.02 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 1u9n h THR 209 CO -0.03 0.47 -0.47 0.77 -0.25 0.00 0.00 175.52 176.02 1u9n h SER 210 N 0.71 0.00 0.23 5.36 4.64 -1.32 0.22 113.55 123.40 1u9n h SER 210 Ca 0.09 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.06 1u9n h SER 210 Cb 0.79 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.91 1u9n h SER 210 CO 0.07 0.47 -1.61 0.40 -0.87 0.00 0.00 176.83 175.29 1u9n h ILE 211 N 0.00 1.13 -0.01 0.95 2.04 -1.11 -3.37 117.51 117.14 1u9n h ILE 211 Ca -0.00 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.24 1u9n h ILE 211 Cb 1.17 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.17 1u9n h ILE 211 CO 0.06 0.83 -0.73 -1.22 0.00 0.00 0.00 178.15 177.09 1u9n n TYR 212 N -3.67 0.00 -2.27 1.37 4.02 -0.71 -4.38 117.16 111.53 1u9n n TYR 212 Ca -0.21 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.27 1u9n n TYR 212 Cb 1.09 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.38 1u9n n TYR 212 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1u9n s GLY 213 N -2.62 2.64 0.08 2.72 0.00 0.78 -4.56 107.32 106.36 1u9n s GLY 213 Ca 0.11 1.07 -0.02 0.00 0.00 0.00 0.00 44.72 45.87 1u9n s GLY 213 CO 0.69 1.94 1.14 -2.09 0.00 0.00 0.00 173.10 174.79 1u9n h GLU 214 N 4.94 0.22 0.00 2.90 4.57 -1.94 -3.46 114.58 121.82 1u9n h GLU 214 Ca -0.45 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.35 1u9n h GLU 214 Cb 1.22 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1u9n h GLU 214 CO 0.74 1.17 0.00 -1.71 -1.18 0.00 0.00 179.01 178.03