#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnq h ASP 2 N 0.00 0.40 1.42 0.00 3.32 -2.03 0.79 116.42 120.33 2nnq h ASP 2 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2nnq h ASP 2 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2nnq h ASP 2 CO 0.00 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 2nnq h ALA 3 N 1.60 1.00 0.00 3.45 0.00 -2.03 -3.02 119.26 120.26 2nnq h ALA 3 Ca 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 2nnq h ALA 3 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2nnq h ALA 3 CO -0.22 0.00 -1.09 0.74 0.00 0.00 0.00 179.25 178.68 2nnq h PHE 4 N 0.00 0.00 -3.02 0.00 -1.00 -1.26 -3.48 116.94 108.18 2nnq h PHE 4 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 2nnq h PHE 4 Cb 0.71 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.31 2nnq h PHE 4 CO 0.00 0.15 0.81 0.08 -1.61 0.00 0.00 178.31 177.74 2nnq s VAL 5 N -3.25 2.80 -5.00 -0.55 1.01 -1.07 -4.65 120.40 109.70 2nnq s VAL 5 Ca -0.01 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2nnq s VAL 5 Cb 0.09 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2nnq s VAL 5 CO 0.79 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.56 2nnq n GLY 6 N 3.28 0.36 3.49 4.51 0.00 -0.09 -4.95 105.19 111.79 2nnq n GLY 6 Ca 0.11 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 2nnq n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnq s THR 7 N -2.35 4.02 0.09 2.61 2.01 -1.26 -0.30 115.64 120.46 2nnq s THR 7 Ca 0.00 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 61.79 2nnq s THR 7 Cb 0.00 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2nnq s THR 7 CO 0.00 0.46 -0.23 0.26 -0.69 0.00 0.00 174.62 174.42 2nnq s TRP 8 N 0.63 2.02 -0.01 4.92 0.52 0.20 -1.84 118.94 125.37 2nnq s TRP 8 Ca -0.01 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.77 2nnq s TRP 8 Cb -0.14 -1.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 2nnq s TRP 8 CO 0.02 0.22 -0.18 -1.59 0.02 0.00 0.00 176.95 175.43 2nnq s LYS 9 N -1.74 1.47 -0.04 4.98 -2.85 0.99 -0.60 119.74 121.95 2nnq s LYS 9 Ca 0.10 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 54.09 2nnq s LYS 9 Cb -0.10 -1.43 -0.05 0.00 -2.06 0.00 0.00 37.83 34.19 2nnq s LYS 9 CO 0.04 0.39 1.51 -1.17 0.10 0.00 0.00 175.35 176.22 2nnq s LEU 10 N -0.50 4.30 -0.11 2.77 2.96 -1.12 -1.09 118.68 125.89 2nnq s LEU 10 Ca 0.07 2.13 0.13 0.00 -0.22 0.00 0.00 54.13 56.25 2nnq s LEU 10 Cb -0.07 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.88 2nnq s LEU 10 CO -0.00 -0.83 0.13 1.33 -1.32 0.00 0.00 176.35 175.66 2nnq n VAL 11 N 5.12 0.70 -3.51 1.68 0.24 0.42 -4.94 118.33 118.04 2nnq n VAL 11 Ca 0.15 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.34 61.79 2nnq n VAL 11 Cb 0.43 -0.40 -0.04 0.00 -1.47 0.00 0.00 33.84 32.36 2nnq n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2nnq s SER 12 N -4.47 -0.48 -0.02 -1.34 1.04 -1.13 -5.00 113.70 102.30 2nnq s SER 12 Ca -0.07 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2nnq s SER 12 Cb 0.06 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2nnq s SER 12 CO 0.60 -0.85 0.06 -0.55 0.98 0.00 0.00 173.24 173.48 2nnq s SER 13 N -2.42 -0.05 -0.04 7.02 0.15 -1.26 -1.12 113.70 115.98 2nnq s SER 13 Ca -0.01 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.74 2nnq s SER 13 Cb -0.00 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2nnq s SER 13 CO -0.08 -0.04 -0.03 -1.61 1.20 0.00 0.00 173.24 172.68 2nnq s GLU 14 N -0.06 0.68 -1.96 5.44 0.41 -0.49 -4.88 118.70 117.86 2nnq s GLU 14 Ca -0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 2nnq s GLU 14 Cb -0.01 -0.74 0.00 0.00 -1.78 0.00 0.00 34.13 31.61 2nnq s GLU 14 CO 0.00 -0.09 0.00 0.09 -0.49 0.00 0.00 175.26 174.77 2nnq n ASN 15 N 4.05 -5.24 0.13 -0.19 4.13 -1.26 -2.35 115.26 114.54 2nnq n ASN 15 Ca -0.26 0.44 -0.01 0.00 1.68 0.00 0.00 54.58 56.44 2nnq n ASN 15 Cb 0.51 -4.37 0.22 0.00 -1.54 0.00 0.00 39.78 34.60 2nnq n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2nnq h PHE 16 N 0.00 0.11 -0.63 3.10 3.57 -1.89 -1.78 116.94 119.41 2nnq h PHE 16 Ca -0.38 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 2nnq h PHE 16 Cb 1.21 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 2nnq h PHE 16 CO 0.52 0.58 0.14 0.22 -2.23 0.00 0.00 178.31 177.55 2nnq h ASP 17 N 0.07 0.94 -0.39 0.41 3.58 -1.94 -1.14 116.42 117.96 2nnq h ASP 17 Ca -0.00 -0.19 -0.12 0.00 0.42 0.00 0.00 57.03 57.14 2nnq h ASP 17 Cb 0.93 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2nnq h ASP 17 CO 0.07 0.92 -0.21 0.44 -2.88 0.00 0.00 179.24 177.58 2nnq h ASP 18 N 0.95 0.86 -0.43 2.28 3.32 -1.88 -1.07 116.42 120.45 2nnq h ASP 18 Ca 0.20 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2nnq h ASP 18 Cb 0.35 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2nnq h ASP 18 CO 0.00 1.08 0.28 0.22 -1.72 0.00 0.00 179.24 179.11 2nnq h TYR 19 N 0.64 0.54 -0.92 4.55 3.20 -1.20 -1.10 116.97 122.68 2nnq h TYR 19 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2nnq h TYR 19 Cb 0.77 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 2nnq h TYR 19 CO 0.06 0.34 0.58 0.52 -1.64 0.00 0.00 178.16 178.02 2nnq h MET 20 N 0.58 1.23 -0.59 1.82 2.86 -1.07 -0.32 114.93 119.44 2nnq h MET 20 Ca 0.16 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2nnq h MET 20 Cb -0.06 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.30 2nnq h MET 20 CO -0.04 0.84 0.32 0.87 1.06 0.00 0.00 176.91 179.96 2nnq h LYS 21 N 1.26 0.82 -0.08 1.72 1.57 -0.70 -0.78 116.57 120.38 2nnq h LYS 21 Ca 0.33 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 2nnq h LYS 21 Cb -0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 2nnq h LYS 21 CO -0.07 0.61 -0.63 1.49 -0.57 0.00 0.00 179.45 180.28 2nnq h GLU 22 N 0.83 0.31 0.00 3.15 4.57 -0.31 -2.73 114.58 120.40 2nnq h GLU 22 Ca 0.21 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2nnq h GLU 22 Cb 0.04 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2nnq h GLU 22 CO -0.03 0.84 -0.41 0.28 -1.18 0.00 0.00 179.01 178.50 2nnq h VAL 23 N 0.22 0.98 0.00 0.32 2.07 -0.54 -3.47 116.25 115.83 2nnq h VAL 23 Ca -0.01 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2nnq h VAL 23 Cb 1.16 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2nnq h VAL 23 CO 0.10 0.40 0.00 0.61 0.02 0.00 0.00 177.57 178.71 2nnq n GLY 24 N 0.20 1.35 3.73 2.17 0.00 -0.44 -5.09 105.19 107.11 2nnq n GLY 24 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2nnq n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nnq s VAL 25 N -2.00 3.64 0.82 1.61 1.01 -0.43 -5.00 120.40 120.05 2nnq s VAL 25 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.13 2nnq s VAL 25 Cb 0.00 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2nnq s VAL 25 CO 0.00 0.15 1.12 -0.83 0.00 0.00 0.00 175.10 175.54 2nnq s GLY 26 N 0.63 1.61 0.14 4.51 0.00 -1.26 -4.56 107.32 108.38 2nnq s GLY 26 Ca 0.57 -0.36 -0.28 0.00 0.00 0.00 0.00 44.72 44.66 2nnq s GLY 26 CO 0.33 0.11 1.58 -2.75 0.00 0.00 0.00 173.10 172.37 2nnq h PHE 27 N -1.15 -1.16 -0.49 1.90 3.04 -1.99 -1.19 116.94 115.91 2nnq h PHE 27 Ca -0.48 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.44 2nnq h PHE 27 Cb 1.29 0.54 -0.02 0.00 2.56 0.00 0.00 35.95 40.32 2nnq h PHE 27 CO 0.40 -0.45 -0.02 0.00 -2.02 0.00 0.00 178.31 176.23 2nnq h ALA 28 N 0.29 0.66 -0.65 2.41 0.00 -2.00 -0.44 119.26 119.53 2nnq h ALA 28 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2nnq h ALA 28 Cb 0.60 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2nnq h ALA 28 CO -0.46 0.48 0.32 1.15 0.00 0.00 0.00 179.25 180.74 2nnq h THR 29 N 0.73 1.22 -0.73 0.00 2.02 -1.90 -1.86 112.91 112.39 2nnq h THR 29 Ca 0.14 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.72 2nnq h THR 29 Cb 0.54 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2nnq h THR 29 CO 0.03 0.25 0.47 0.03 0.37 0.00 0.00 175.52 176.67 2nnq h ARG 30 N 0.90 0.92 -0.14 6.66 3.08 -0.52 0.26 114.38 125.52 2nnq h ARG 30 Ca 0.22 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2nnq h ARG 30 Cb 0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2nnq h ARG 30 CO -0.03 0.61 0.06 0.87 -1.07 0.00 0.00 179.97 180.41 2nnq h LYS 31 N 0.94 0.21 -0.28 0.04 1.79 -0.81 -0.45 116.57 118.02 2nnq h LYS 31 Ca 0.28 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.56 2nnq h LYS 31 Cb -0.06 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 2nnq h LYS 31 CO -0.08 0.30 -0.39 0.28 -1.08 0.00 0.00 179.45 178.48 2nnq h VAL 32 N 0.08 1.30 -0.44 0.50 2.07 -1.16 -2.87 116.25 115.73 2nnq h VAL 32 Ca 0.05 -1.57 -0.13 0.00 0.82 0.00 0.00 66.70 65.87 2nnq h VAL 32 Cb 0.16 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2nnq h VAL 32 CO -0.00 0.51 -0.23 0.00 0.02 0.00 0.00 177.57 177.86 2nnq h ALA 33 N 0.69 0.62 -0.49 1.67 0.00 -0.96 -2.81 119.26 117.98 2nnq h ALA 33 Ca 0.03 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.64 2nnq h ALA 33 Cb 0.98 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2nnq h ALA 33 CO 0.09 0.61 0.33 0.78 0.00 0.00 0.00 179.25 181.06 2nnq h GLY 34 N 0.76 0.39 2.00 0.00 0.00 -1.04 -1.94 103.07 103.25 2nnq h GLY 34 Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 2nnq h GLY 34 CO 0.07 0.08 -0.66 -0.33 0.00 0.00 0.00 176.54 175.70 2nnq h MET 35 N 0.29 0.00 -7.20 4.80 2.86 -1.27 -3.47 114.93 110.95 2nnq h MET 35 Ca 0.22 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.35 2nnq h MET 35 Cb 0.49 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.27 2nnq h MET 35 CO -0.05 0.66 0.38 0.00 1.06 0.00 0.00 176.91 178.95 2nnq s ALA 36 N -3.08 2.34 -0.59 6.32 0.00 -0.73 -5.00 121.76 121.02 2nnq s ALA 36 Ca 0.02 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.68 2nnq s ALA 36 Cb 0.10 -3.36 0.23 0.00 0.00 0.00 0.00 23.12 20.08 2nnq s ALA 36 CO 0.76 -1.49 0.64 1.63 0.00 0.00 0.00 175.76 177.30 2nnq n LYS 37 N -2.55 1.93 -1.51 0.00 4.76 -1.26 -5.04 118.16 114.49 2nnq n LYS 37 Ca 0.11 -4.28 -0.34 0.00 -2.87 0.00 0.00 58.31 50.93 2nnq n LYS 37 Cb 0.51 -2.03 0.08 0.00 -1.84 0.00 0.00 35.03 31.75 2nnq n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2nnq s PRO 38 N -1.91 2.33 0.55 1.97 0.04 -1.26 -4.70 135.00 132.01 2nnq s PRO 38 Ca 0.36 1.60 0.09 0.00 0.04 0.00 0.00 61.00 63.09 2nnq s PRO 38 Cb 0.11 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.85 2nnq s PRO 38 CO -0.07 -1.66 0.73 0.54 0.04 0.00 0.00 177.00 176.58 2nnq s ASN 39 N -2.30 5.15 -0.03 6.66 2.20 -1.04 -2.80 114.94 122.78 2nnq s ASN 39 Ca 0.71 -0.81 0.01 0.00 -0.94 0.00 0.00 52.86 51.83 2nnq s ASN 39 Cb -0.25 0.15 0.01 0.00 -2.00 0.00 0.00 41.25 39.16 2nnq s ASN 39 CO 0.45 -1.23 -0.04 -0.04 -2.94 0.00 0.00 177.10 173.30 2nnq s MET 40 N -4.59 0.59 -0.34 3.55 -1.94 0.23 -4.11 119.30 112.71 2nnq s MET 40 Ca 0.59 -0.10 -0.01 0.00 -1.71 0.00 0.00 55.69 54.45 2nnq s MET 40 Cb -0.06 -0.63 0.07 0.00 2.01 0.00 0.00 34.83 36.23 2nnq s MET 40 CO 0.37 -0.02 0.06 0.42 -0.01 0.00 0.00 175.02 175.84 2nnq s ILE 41 N 0.56 2.98 -0.19 2.53 -1.09 0.16 0.60 121.20 126.76 2nnq s ILE 41 Ca -0.07 -1.69 -0.06 0.00 -2.23 0.00 0.00 60.65 56.60 2nnq s ILE 41 Cb -0.10 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 2nnq s ILE 41 CO -0.00 -0.33 0.02 -0.63 -1.23 0.00 0.00 174.94 172.77 2nnq s ILE 42 N 1.18 4.32 0.07 2.92 1.01 0.60 -1.18 121.20 130.11 2nnq s ILE 42 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2nnq s ILE 42 Cb -0.21 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 2nnq s ILE 42 CO -0.03 0.45 -0.06 -0.94 0.00 0.00 0.00 174.94 174.36 2nnq s SER 43 N 0.65 0.88 -0.05 3.58 1.04 -0.38 -0.91 113.70 118.50 2nnq s SER 43 Ca 0.01 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.62 2nnq s SER 43 Cb -0.14 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.09 2nnq s SER 43 CO 0.02 -0.40 -0.10 -0.69 0.98 0.00 0.00 173.24 173.05 2nnq s VAL 44 N -2.88 0.93 -0.24 5.02 1.01 -1.26 -0.50 120.40 122.48 2nnq s VAL 44 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2nnq s VAL 44 Cb 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.60 2nnq s VAL 44 CO -0.04 0.30 0.06 0.21 0.00 0.00 0.00 175.10 175.63 2nnq s ASN 45 N 0.59 3.43 1.87 3.32 3.04 -0.00 -5.00 114.94 122.19 2nnq s ASN 45 Ca -0.11 -1.17 0.00 0.00 0.04 0.00 0.00 52.86 51.62 2nnq s ASN 45 Cb -0.14 -0.73 0.00 0.00 -1.54 0.00 0.00 41.25 38.84 2nnq s ASN 45 CO 0.02 -0.35 0.00 0.61 -3.04 0.00 0.00 177.10 174.34 2nnq n GLY 46 N 4.96 3.67 0.61 1.21 0.00 -1.26 -1.68 105.19 112.69 2nnq n GLY 46 Ca -0.07 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2nnq n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nnq n ASP 47 N 7.18 1.89 -4.63 1.61 10.43 -1.26 -4.88 116.55 126.90 2nnq n ASP 47 Ca 0.00 -1.63 -0.38 0.00 2.57 0.00 0.00 54.79 55.35 2nnq n ASP 47 Cb 0.00 -0.00 -0.10 0.00 1.84 0.00 0.00 41.12 42.86 2nnq n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2nnq s VAL 48 N -2.00 5.27 -0.13 2.53 1.01 -0.68 -4.43 120.40 121.98 2nnq s VAL 48 Ca 0.35 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 2nnq s VAL 48 Cb 0.21 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2nnq s VAL 48 CO 0.33 0.25 0.11 -0.63 0.00 0.00 0.00 175.10 175.16 2nnq s ILE 49 N 1.57 5.23 -0.09 2.22 1.01 -0.06 -0.82 121.20 130.26 2nnq s ILE 49 Ca 0.11 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2nnq s ILE 49 Cb -0.15 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.04 2nnq s ILE 49 CO 0.08 0.58 -0.19 -0.89 0.00 0.00 0.00 174.94 174.52 2nnq s THR 50 N -0.71 1.71 -0.28 2.92 2.01 0.35 -0.96 115.64 120.67 2nnq s THR 50 Ca 0.13 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 2nnq s THR 50 Cb -0.12 -1.50 0.04 0.00 0.01 0.00 0.00 72.50 70.93 2nnq s THR 50 CO 0.03 0.48 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.78 2nnq s ILE 51 N 0.52 2.97 0.05 1.82 1.01 0.22 -1.24 121.20 126.55 2nnq s ILE 51 Ca -0.16 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.36 2nnq s ILE 51 Cb -0.17 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2nnq s ILE 51 CO 0.06 0.04 -0.09 -0.75 0.00 0.00 0.00 174.94 174.21 2nnq s LYS 52 N 1.30 2.34 -0.03 2.79 2.20 -0.32 -1.16 119.74 126.86 2nnq s LYS 52 Ca -0.02 -0.87 -0.01 0.00 -0.36 0.00 0.00 55.97 54.70 2nnq s LYS 52 Cb -0.18 -2.40 0.03 0.00 -1.51 0.00 0.00 37.83 33.77 2nnq s LYS 52 CO -0.02 0.55 0.06 0.45 -0.36 0.00 0.00 175.35 176.03 2nnq s SER 53 N -1.79 0.01 -0.12 1.43 0.15 0.27 0.39 113.70 114.03 2nnq s SER 53 Ca 0.19 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.94 2nnq s SER 53 Cb -0.11 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 2nnq s SER 53 CO 0.11 -0.12 -0.04 -1.61 1.20 0.00 0.00 173.24 172.78 2nnq s GLU 54 N 0.99 3.28 0.28 5.44 8.01 -1.26 -1.73 118.70 133.72 2nnq s GLU 54 Ca -0.08 -0.50 -0.15 0.00 0.01 0.00 0.00 54.97 54.25 2nnq s GLU 54 Cb -0.11 -2.81 0.01 0.00 -4.31 0.00 0.00 34.13 26.91 2nnq s GLU 54 CO -0.04 0.46 0.60 -1.54 0.01 0.00 0.00 175.26 174.75 2nnq s SER 55 N -0.22 -0.08 0.55 -0.19 1.04 -1.09 -2.49 113.70 111.21 2nnq s SER 55 Ca 0.04 -0.87 0.33 0.00 0.48 0.00 0.00 55.95 55.93 2nnq s SER 55 Cb -0.13 0.67 1.46 0.00 0.10 0.00 0.00 66.02 68.13 2nnq s SER 55 CO 0.02 -1.28 2.03 0.71 0.98 0.00 0.00 173.24 175.70 2nnq h THR 56 N 2.13 0.16 0.06 2.02 1.35 -1.98 -3.22 112.91 113.43 2nnq h THR 56 Ca -0.24 -0.54 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2nnq h THR 56 Cb 1.25 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2nnq h THR 56 CO 0.32 0.05 -0.03 0.15 -0.25 0.00 0.00 175.52 175.76 2nnq h PHE 57 N 0.00 -0.07 -1.87 4.73 3.57 -1.95 -3.49 116.94 117.85 2nnq h PHE 57 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2nnq h PHE 57 Cb 0.45 0.02 -0.21 0.00 2.79 0.00 0.00 35.95 39.01 2nnq h PHE 57 CO 0.00 0.46 0.28 0.21 -2.23 0.00 0.00 178.31 177.03 2nnq s LYS 58 N -2.53 0.90 -0.27 1.11 2.20 -1.21 -5.07 119.74 114.85 2nnq s LYS 58 Ca -0.12 0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.72 2nnq s LYS 58 Cb -0.01 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2nnq s LYS 58 CO 0.44 -0.26 0.14 -0.80 -0.36 0.00 0.00 175.35 174.51 2nnq s ASN 59 N -0.94 5.60 0.19 1.43 0.02 -1.26 -2.68 114.94 117.30 2nnq s ASN 59 Ca -0.07 -0.14 0.01 0.00 -1.02 0.00 0.00 52.86 51.64 2nnq s ASN 59 Cb -0.01 -2.03 -0.05 0.00 0.02 0.00 0.00 41.25 39.19 2nnq s ASN 59 CO 0.06 -0.06 0.03 -0.89 0.02 0.00 0.00 177.10 176.27 2nnq s THR 60 N 1.69 0.56 -0.28 1.60 2.01 -0.70 -5.01 115.64 115.50 2nnq s THR 60 Ca 0.07 -1.98 -0.21 0.00 0.31 0.00 0.00 61.69 59.87 2nnq s THR 60 Cb -0.16 -2.25 0.08 0.00 0.01 0.00 0.00 72.50 70.19 2nnq s THR 60 CO 0.07 -0.34 0.73 -0.70 -0.69 0.00 0.00 174.62 173.69 2nnq s GLU 61 N -3.97 0.76 -0.02 4.92 2.12 -1.26 -0.57 118.70 120.68 2nnq s GLU 61 Ca 0.28 1.05 0.06 0.00 0.36 0.00 0.00 54.97 56.72 2nnq s GLU 61 Cb 0.07 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 2nnq s GLU 61 CO 0.06 -0.12 -0.20 0.96 -0.54 0.00 0.00 175.26 175.43 2nnq s ILE 62 N 0.88 1.58 -0.02 -3.70 -4.36 -0.31 -5.00 121.20 110.28 2nnq s ILE 62 Ca -0.04 -0.85 0.07 0.00 -0.26 0.00 0.00 60.65 59.57 2nnq s ILE 62 Cb -0.05 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.32 2nnq s ILE 62 CO -0.08 0.45 -0.22 -0.44 0.24 0.00 0.00 174.94 174.89 2nnq s SER 63 N -0.41 2.60 0.15 4.36 0.01 -1.26 -0.61 113.70 118.54 2nnq s SER 63 Ca 0.06 -0.40 -0.24 0.00 1.31 0.00 0.00 55.95 56.69 2nnq s SER 63 Cb -0.08 -0.29 0.07 0.00 0.21 0.00 0.00 66.02 65.93 2nnq s SER 63 CO -0.00 0.27 0.66 0.72 0.41 0.00 0.00 173.24 175.30 2nnq s PHE 64 N -0.52 -0.46 -0.10 2.43 -0.71 -0.14 -4.97 117.98 113.51 2nnq s PHE 64 Ca 0.09 0.22 0.02 0.00 -1.04 0.00 0.00 56.93 56.22 2nnq s PHE 64 Cb -0.09 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 2nnq s PHE 64 CO -0.01 -0.86 -0.16 0.42 -1.34 0.00 0.00 175.22 173.27 2nnq s ILE 65 N -3.68 2.86 0.18 -4.49 1.01 -1.26 -0.89 121.20 114.93 2nnq s ILE 65 Ca 0.03 -0.75 -0.33 0.00 0.00 0.00 0.00 60.65 59.60 2nnq s ILE 65 Cb -0.02 -2.16 -0.15 0.00 0.01 0.00 0.00 42.46 40.15 2nnq s ILE 65 CO -0.09 0.55 1.36 0.18 0.00 0.00 0.00 174.94 176.94 2nnq n LEU 66 N 3.15 2.41 0.00 2.97 4.77 -1.26 -1.50 117.00 127.54 2nnq n LEU 66 Ca -0.18 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 2nnq n LEU 66 Cb 0.53 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2nnq n LEU 66 CO 0.29 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 2nnq n GLY 67 N 2.45 1.49 3.24 -0.72 0.00 -0.09 -4.98 105.19 106.56 2nnq n GLY 67 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2nnq n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nnq s GLN 68 N -0.35 3.07 0.49 1.61 -0.21 -0.56 -4.98 119.66 118.74 2nnq s GLN 68 Ca 0.00 -0.82 -0.22 0.00 0.02 0.00 0.00 55.36 54.34 2nnq s GLN 68 Cb 0.00 -2.95 -0.06 0.00 1.00 0.00 0.00 33.01 30.99 2nnq s GLN 68 CO 0.00 -0.30 1.25 -2.00 -2.12 0.00 0.00 175.29 172.12 2nnq s GLU 69 N 1.39 3.51 0.07 2.91 2.12 -1.26 -4.58 118.70 122.85 2nnq s GLU 69 Ca 0.03 1.97 -0.06 0.00 0.36 0.00 0.00 54.97 57.27 2nnq s GLU 69 Cb -0.15 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.87 2nnq s GLU 69 CO -0.05 -0.81 0.11 -0.59 -0.54 0.00 0.00 175.26 173.38 2nnq s PHE 70 N -1.44 0.28 0.12 5.30 -0.71 0.92 -4.96 117.98 117.48 2nnq s PHE 70 Ca 0.67 -0.75 -0.29 0.00 -1.04 0.00 0.00 56.93 55.51 2nnq s PHE 70 Cb -0.34 -0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.23 2nnq s PHE 70 CO 0.40 -0.48 0.93 -0.51 -1.34 0.00 0.00 175.22 174.23 2nnq s ASP 71 N -2.86 7.48 -0.06 1.98 1.01 -1.26 -0.83 116.67 122.13 2nnq s ASP 71 Ca 0.05 1.77 0.01 0.00 0.71 0.00 0.00 52.55 55.09 2nnq s ASP 71 Cb 0.06 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.43 2nnq s ASP 71 CO -0.10 -0.03 -0.07 -0.70 0.21 0.00 0.00 175.17 174.47 2nnq s GLU 72 N -0.13 1.14 -0.46 8.23 2.12 -0.67 -4.93 118.70 124.00 2nnq s GLU 72 Ca 0.45 -0.20 -0.15 0.00 0.36 0.00 0.00 54.97 55.42 2nnq s GLU 72 Cb -0.23 -1.07 0.06 0.00 0.26 0.00 0.00 34.13 33.14 2nnq s GLU 72 CO 0.29 -0.07 0.37 0.08 -0.54 0.00 0.00 175.26 175.40 2nnq s VAL 73 N 0.93 5.23 0.92 3.70 1.01 -1.26 -1.06 120.40 129.87 2nnq s VAL 73 Ca -0.11 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 2nnq s VAL 73 Cb -0.15 -4.08 0.14 0.00 0.00 0.00 0.00 36.38 32.30 2nnq s VAL 73 CO 0.01 -0.51 1.09 0.42 0.00 0.00 0.00 175.10 176.11 2nnq s THR 74 N 1.68 2.52 0.38 3.92 -4.23 -0.13 -4.84 115.64 114.92 2nnq s THR 74 Ca 0.05 0.17 0.27 0.00 -1.18 0.00 0.00 61.69 60.99 2nnq s THR 74 Cb -0.23 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 71.24 2nnq s THR 74 CO 0.08 -0.22 2.04 0.00 -0.54 0.00 0.00 174.62 175.98 2nnq h ALA 75 N -1.63 1.24 -0.43 3.99 0.00 -1.98 0.11 119.26 120.58 2nnq h ALA 75 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2nnq h ALA 75 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2nnq h ALA 75 CO 0.55 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 2nnq n ASP 76 N -3.60 2.40 -0.00 0.00 5.75 -1.26 -4.94 116.55 114.89 2nnq n ASP 76 Ca -0.02 -1.97 -0.00 0.00 -0.01 0.00 0.00 54.79 52.79 2nnq n ASP 76 Cb 0.26 -0.28 -0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2nnq n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2nnq n ASP 77 N 0.81 -1.65 -4.76 -1.12 2.03 0.39 -5.03 116.55 107.21 2nnq n ASP 77 Ca 0.15 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.07 2nnq n ASP 77 Cb 0.39 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.23 2nnq n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2nnq s ARG 78 N -3.35 4.56 -0.38 -0.67 0.52 -1.26 -4.85 118.95 113.51 2nnq s ARG 78 Ca 0.00 1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 56.21 2nnq s ARG 78 Cb 0.00 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.18 2nnq s ARG 78 CO 0.00 0.46 0.34 -1.59 0.02 0.00 0.00 175.30 174.53 2nnq s LYS 79 N -0.75 3.25 0.25 3.54 0.00 -1.26 -0.96 119.74 123.81 2nnq s LYS 79 Ca 0.37 -0.73 0.08 0.00 0.00 0.00 0.00 55.97 55.69 2nnq s LYS 79 Cb -0.22 -3.90 -0.05 0.00 0.00 0.00 0.00 37.83 33.65 2nnq s LYS 79 CO 0.26 -0.66 -0.11 0.14 0.00 0.00 0.00 175.35 174.97 2nnq s VAL 80 N 1.88 1.81 -0.29 1.79 -7.23 -0.23 -4.83 120.40 113.31 2nnq s VAL 80 Ca 0.09 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 2nnq s VAL 80 Cb -0.18 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2nnq s VAL 80 CO 0.11 -0.43 0.18 -0.54 -0.31 0.00 0.00 175.10 174.11 2nnq s LYS 81 N -3.66 3.81 0.02 4.82 -0.14 0.85 -1.67 119.74 123.76 2nnq s LYS 81 Ca 0.27 -0.41 0.08 0.00 -1.36 0.00 0.00 55.97 54.55 2nnq s LYS 81 Cb 0.01 -3.63 -0.02 0.00 -1.68 0.00 0.00 37.83 32.51 2nnq s LYS 81 CO 0.10 -0.23 -0.24 -1.12 -0.76 0.00 0.00 175.35 173.10 2nnq s SER 82 N 1.73 2.87 -0.04 2.83 0.01 -0.01 -0.73 113.70 120.35 2nnq s SER 82 Ca 0.07 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2nnq s SER 82 Cb -0.16 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 65.80 2nnq s SER 82 CO 0.10 0.26 -0.09 -0.89 0.41 0.00 0.00 173.24 173.03 2nnq s THR 83 N -0.69 0.82 -0.10 1.44 2.01 -0.90 -0.06 115.64 118.16 2nnq s THR 83 Ca 0.10 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.81 2nnq s THR 83 Cb -0.09 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 2nnq s THR 83 CO 0.01 0.27 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.35 2nnq s ILE 84 N 0.58 2.18 0.26 1.82 1.01 -1.26 -1.80 121.20 123.99 2nnq s ILE 84 Ca -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.60 2nnq s ILE 84 Cb -0.13 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2nnq s ILE 84 CO 0.01 0.56 0.06 0.42 0.00 0.00 0.00 174.94 175.99 2nnq s THR 85 N 0.30 0.82 -0.19 2.92 -4.23 -0.39 -0.92 115.64 113.96 2nnq s THR 85 Ca -0.17 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.31 2nnq s THR 85 Cb -0.17 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 2nnq s THR 85 CO 0.08 -0.12 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.76 2nnq s LEU 86 N -3.34 2.90 -0.27 4.79 2.96 -1.26 -0.09 118.68 124.37 2nnq s LEU 86 Ca 0.34 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2nnq s LEU 86 Cb 0.07 -1.71 0.08 0.00 0.50 0.00 0.00 46.19 45.13 2nnq s LEU 86 CO 0.12 0.05 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.58 2nnq s ASP 87 N 1.04 4.05 -1.52 3.68 2.15 0.34 -4.78 116.67 121.64 2nnq s ASP 87 Ca 0.00 -1.45 -0.12 0.00 0.43 0.00 0.00 52.55 51.42 2nnq s ASP 87 Cb -0.15 -1.20 0.08 0.00 -0.30 0.00 0.00 42.92 41.35 2nnq s ASP 87 CO -0.00 -0.30 0.87 0.61 -0.17 0.00 0.00 175.17 176.18 2nnq n GLY 88 N 4.63 -0.44 2.26 2.66 0.00 -1.26 -1.57 105.19 111.47 2nnq n GLY 88 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2nnq n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnq n GLY 89 N -1.65 1.00 3.52 -0.02 0.00 -1.26 -5.02 105.19 101.75 2nnq n GLY 89 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2nnq n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nnq s VAL 90 N -3.44 4.44 -0.05 1.61 1.01 -0.61 -4.69 120.40 118.66 2nnq s VAL 90 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2nnq s VAL 90 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2nnq s VAL 90 CO 0.00 0.39 1.26 -0.76 0.00 0.00 0.00 175.10 175.99 2nnq s LEU 91 N 1.06 4.28 -0.20 3.92 1.43 -0.51 -0.50 118.68 128.15 2nnq s LEU 91 Ca 0.04 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 55.01 2nnq s LEU 91 Cb -0.14 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2nnq s LEU 91 CO 0.03 -0.64 -0.12 -0.69 0.23 0.00 0.00 176.35 175.16 2nnq s VAL 92 N 2.40 2.70 -0.26 -1.59 1.01 0.87 -1.48 120.40 124.04 2nnq s VAL 92 Ca 0.58 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2nnq s VAL 92 Cb -0.26 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 33.97 2nnq s VAL 92 CO 0.22 0.45 -0.10 -2.28 0.00 0.00 0.00 175.10 173.39 2nnq s HIS 93 N 1.37 3.25 -0.17 5.22 5.04 0.36 -1.27 115.29 129.10 2nnq s HIS 93 Ca 0.05 -2.27 -0.04 0.00 -1.54 0.00 0.00 55.06 51.26 2nnq s HIS 93 Cb -0.14 -1.94 -0.02 0.00 0.04 0.00 0.00 32.58 30.51 2nnq s HIS 93 CO -0.08 -0.87 -0.04 0.08 -2.34 0.00 0.00 174.74 171.49 2nnq s VAL 94 N 1.12 3.79 -0.16 0.89 1.01 -0.74 -0.03 120.40 126.28 2nnq s VAL 94 Ca -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2nnq s VAL 94 Cb -0.20 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2nnq s VAL 94 CO -0.05 0.47 -0.07 -1.10 0.00 0.00 0.00 175.10 174.35 2nnq s GLN 95 N 0.60 3.51 -0.13 2.72 -0.21 -0.01 -2.12 119.66 124.01 2nnq s GLN 95 Ca -0.03 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.76 2nnq s GLN 95 Cb -0.14 -2.82 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 2nnq s GLN 95 CO 0.02 0.15 -0.15 0.15 -2.12 0.00 0.00 175.29 173.35 2nnq s LYS 96 N 0.55 3.32 -0.23 2.91 -0.14 0.09 -1.71 119.74 124.52 2nnq s LYS 96 Ca -0.05 -0.72 -0.26 0.00 -1.36 0.00 0.00 55.97 53.58 2nnq s LYS 96 Cb -0.15 -2.59 0.08 0.00 -1.68 0.00 0.00 37.83 33.49 2nnq s LYS 96 CO 0.03 0.18 0.77 1.67 -0.76 0.00 0.00 175.35 177.24 2nnq s TRP 97 N 0.42 -0.71 -1.20 3.18 -2.14 -0.48 -0.11 118.94 117.90 2nnq s TRP 97 Ca -0.11 1.65 -0.06 0.00 2.66 0.00 0.00 56.10 60.23 2nnq s TRP 97 Cb -0.16 0.31 0.04 0.00 -3.10 0.00 0.00 33.47 30.56 2nnq s TRP 97 CO 0.05 -0.40 0.34 -0.25 -2.66 0.00 0.00 176.95 174.04 2nnq n ASP 98 N 2.26 -3.89 0.00 -2.66 10.43 -1.26 0.15 116.55 121.58 2nnq n ASP 98 Ca -0.14 -0.18 0.00 0.00 2.57 0.00 0.00 54.79 57.03 2nnq n ASP 98 Cb 0.56 -3.24 0.00 0.00 1.84 0.00 0.00 41.12 40.27 2nnq n ASP 98 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2nnq n GLY 99 N -1.07 0.61 3.89 0.44 0.00 -1.26 -5.02 105.19 102.78 2nnq n GLY 99 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2nnq n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnq s LYS 100 N -0.24 3.08 -0.03 1.61 1.02 0.39 -5.13 119.74 120.44 2nnq s LYS 100 Ca 0.00 -0.99 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 2nnq s LYS 100 Cb 0.00 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2nnq s LYS 100 CO 0.00 0.35 0.07 0.45 -0.92 0.00 0.00 175.35 175.30 2nnq s SER 101 N -3.93 -0.07 0.01 2.83 0.15 -1.26 -1.38 113.70 110.05 2nnq s SER 101 Ca 0.35 0.14 0.02 0.00 0.70 0.00 0.00 55.95 57.16 2nnq s SER 101 Cb -0.08 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 2nnq s SER 101 CO 0.27 -0.02 -0.07 0.28 1.20 0.00 0.00 173.24 174.89 2nnq s THR 102 N 0.04 0.55 -0.09 6.45 -1.32 -0.70 -4.71 115.64 115.87 2nnq s THR 102 Ca -0.00 -0.55 0.04 0.00 -1.21 0.00 0.00 61.69 59.97 2nnq s THR 102 Cb -0.01 -0.51 -0.01 0.00 -1.51 0.00 0.00 72.50 70.46 2nnq s THR 102 CO 0.00 -0.02 -0.22 -0.89 -2.21 0.00 0.00 174.62 171.28 2nnq s THR 103 N -0.55 2.26 -0.13 5.08 2.01 -0.92 -0.83 115.64 122.55 2nnq s THR 103 Ca -0.01 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.05 2nnq s THR 103 Cb -0.05 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.61 2nnq s THR 103 CO 0.00 0.56 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.64 2nnq s ILE 104 N 0.11 2.00 -0.06 1.82 1.09 0.96 -0.92 121.20 126.21 2nnq s ILE 104 Ca -0.11 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 58.53 2nnq s ILE 104 Cb -0.16 -1.77 -0.02 0.00 -1.06 0.00 0.00 42.46 39.45 2nnq s ILE 104 CO 0.06 0.54 -0.17 -0.54 -0.10 0.00 0.00 174.94 174.74 2nnq s LYS 105 N 0.73 2.56 -0.06 2.79 1.02 0.31 -0.48 119.74 126.61 2nnq s LYS 105 Ca -0.09 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.19 2nnq s LYS 105 Cb -0.16 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2nnq s LYS 105 CO 0.00 0.54 -0.17 1.03 -0.92 0.00 0.00 175.35 175.84 2nnq s ARG 106 N -0.53 2.00 0.01 1.68 0.52 -0.55 -0.04 118.95 122.03 2nnq s ARG 106 Ca 0.07 -0.60 -0.09 0.00 -0.52 0.00 0.00 55.73 54.60 2nnq s ARG 106 Cb -0.11 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.71 2nnq s ARG 106 CO 0.01 0.16 0.17 -1.59 0.02 0.00 0.00 175.30 174.07 2nnq s LYS 107 N 0.31 0.55 -0.06 3.54 -2.85 -0.64 -1.43 119.74 119.16 2nnq s LYS 107 Ca -0.10 -0.41 -0.26 0.00 -1.00 0.00 0.00 55.97 54.20 2nnq s LYS 107 Cb -0.14 0.23 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 2nnq s LYS 107 CO 0.04 -0.14 0.79 1.03 0.10 0.00 0.00 175.35 177.17 2nnq s ARG 108 N -1.59 4.46 -0.08 1.78 1.81 -1.26 -0.54 118.95 123.54 2nnq s ARG 108 Ca -0.13 1.05 -0.02 0.00 -1.72 0.00 0.00 55.73 54.91 2nnq s ARG 108 Cb -0.06 -3.46 0.04 0.00 -0.45 0.00 0.00 34.95 31.01 2nnq s ARG 108 CO 0.01 -0.00 0.04 -2.00 -0.68 0.00 0.00 175.30 172.67 2nnq s GLU 109 N 0.98 0.26 2.25 3.54 2.12 -0.14 -4.97 118.70 122.74 2nnq s GLU 109 Ca 0.42 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2nnq s GLU 109 Cb -0.19 -1.00 0.00 0.00 0.26 0.00 0.00 34.13 33.20 2nnq s GLU 109 CO 0.20 -0.39 0.00 -0.25 -0.54 0.00 0.00 175.26 174.28 2nnq n ASP 110 N 5.22 0.00 -0.75 -1.70 8.00 -1.26 0.04 116.55 126.10 2nnq n ASP 110 Ca -0.06 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.51 2nnq n ASP 110 Cb 0.50 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.77 2nnq n ASP 110 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nnq n ASP 111 N 2.34 2.17 -4.88 -2.24 8.00 -1.26 -4.91 116.55 115.78 2nnq n ASP 111 Ca 0.00 -2.00 -0.29 0.00 0.71 0.00 0.00 54.79 53.21 2nnq n ASP 111 Cb 0.00 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 40.78 2nnq n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2nnq s LYS 112 N -1.46 3.24 -0.30 -1.24 1.02 0.11 -4.36 119.74 116.74 2nnq s LYS 112 Ca 0.27 -0.61 -0.08 0.00 0.02 0.00 0.00 55.97 55.58 2nnq s LYS 112 Cb 0.14 -2.89 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 2nnq s LYS 112 CO 0.18 0.55 0.11 -1.17 -0.92 0.00 0.00 175.35 174.11 2nnq s LEU 113 N -2.79 3.98 -0.24 3.17 0.20 0.40 -0.97 118.68 122.43 2nnq s LEU 113 Ca 0.33 -0.68 -0.09 0.00 0.69 0.00 0.00 54.13 54.38 2nnq s LEU 113 Cb -0.12 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 2nnq s LEU 113 CO 0.26 -0.21 0.12 -0.69 -0.29 0.00 0.00 176.35 175.55 2nnq s VAL 114 N 1.53 4.98 -0.22 1.68 1.01 0.30 -0.71 120.40 128.99 2nnq s VAL 114 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2nnq s VAL 114 Cb -0.17 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2nnq s VAL 114 CO 0.04 0.35 0.00 -0.69 0.00 0.00 0.00 175.10 174.80 2nnq s VAL 115 N 1.18 3.85 -0.23 2.92 1.01 0.29 -1.63 120.40 127.79 2nnq s VAL 115 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2nnq s VAL 115 Cb -0.14 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2nnq s VAL 115 CO 0.05 0.41 -0.07 -1.61 0.00 0.00 0.00 175.10 173.87 2nnq s GLU 116 N 1.26 2.99 -0.22 2.72 2.02 0.94 -0.25 118.70 128.16 2nnq s GLU 116 Ca 0.04 -0.87 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 2nnq s GLU 116 Cb -0.15 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 2nnq s GLU 116 CO 0.01 -0.33 0.04 0.00 0.02 0.00 0.00 175.26 175.00 2nnq s VAL 118 N 1.14 1.72 -0.20 0.00 1.01 -0.10 -0.64 120.40 123.33 2nnq s VAL 118 Ca 0.04 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2nnq s VAL 118 Cb -0.14 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 34.88 2nnq s VAL 118 CO 0.03 0.49 0.44 -0.32 0.00 0.00 0.00 175.10 175.73 2nnq s MET 119 N -0.34 0.38 -1.69 2.72 1.75 -0.42 -2.17 119.30 119.53 2nnq s MET 119 Ca 0.04 0.99 -0.13 0.00 -1.25 0.00 0.00 55.69 55.34 2nnq s MET 119 Cb -0.10 0.23 0.12 0.00 2.84 0.00 0.00 34.83 37.93 2nnq s MET 119 CO 0.01 -0.21 0.43 1.63 -0.65 0.00 0.00 175.02 176.23 2nnq n LYS 120 N 4.96 -1.58 0.00 4.11 5.02 -1.26 -0.81 118.16 128.59 2nnq n LYS 120 Ca -0.14 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2nnq n LYS 120 Cb 0.52 -4.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.10 2nnq n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nnq n GLY 121 N -1.70 2.08 3.67 0.72 0.00 -1.26 -5.04 105.19 103.65 2nnq n GLY 121 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2nnq n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nnq s VAL 122 N -2.50 5.29 -0.09 1.61 1.01 0.01 -5.08 120.40 120.65 2nnq s VAL 122 Ca 0.00 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2nnq s VAL 122 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2nnq s VAL 122 CO 0.00 0.31 -0.20 -0.89 0.00 0.00 0.00 175.10 174.32 2nnq s THR 123 N 1.11 2.43 -0.05 3.92 2.01 -1.26 -1.30 115.64 122.51 2nnq s THR 123 Ca 0.13 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.25 2nnq s THR 123 Cb -0.14 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2nnq s THR 123 CO 0.06 0.56 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.86 2nnq s SER 124 N 0.05 4.07 -0.17 3.53 0.15 0.18 -4.77 113.70 116.75 2nnq s SER 124 Ca -0.08 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 2nnq s SER 124 Cb -0.15 -0.89 -0.01 0.00 -1.71 0.00 0.00 66.02 63.26 2nnq s SER 124 CO 0.05 0.34 -0.12 -0.89 1.20 0.00 0.00 173.24 173.83 2nnq s THR 125 N -0.71 2.95 -0.16 6.45 2.01 -0.99 -0.72 115.64 124.48 2nnq s THR 125 Ca 0.11 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2nnq s THR 125 Cb -0.11 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 2nnq s THR 125 CO 0.01 0.49 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.15 2nnq s ARG 126 N 0.91 3.22 -0.15 4.92 1.81 0.66 -1.40 118.95 128.92 2nnq s ARG 126 Ca -0.03 -0.75 -0.05 0.00 -1.72 0.00 0.00 55.73 53.19 2nnq s ARG 126 Cb -0.15 -2.64 -0.04 0.00 -0.45 0.00 0.00 34.95 31.68 2nnq s ARG 126 CO -0.01 0.00 0.02 0.08 -0.68 0.00 0.00 175.30 174.72 2nnq s VAL 127 N 0.85 4.47 0.11 3.52 1.01 -0.27 -0.54 120.40 129.54 2nnq s VAL 127 Ca -0.05 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 61.87 2nnq s VAL 127 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2nnq s VAL 127 CO -0.01 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.07 2nnq s TYR 128 N 0.07 2.43 0.23 5.22 1.51 0.12 -0.44 117.35 126.49 2nnq s TYR 128 Ca 0.03 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2nnq s TYR 128 Cb -0.13 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.35 2nnq s TYR 128 CO 0.01 0.33 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.55 2nnq s GLU 129 N -1.96 1.33 0.23 -0.62 2.02 -0.25 -0.45 118.70 119.00 2nnq s GLU 129 Ca 0.16 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.19 2nnq s GLU 129 Cb -0.10 -0.70 -0.10 0.00 0.10 0.00 0.00 34.13 33.33 2nnq s GLU 129 CO 0.07 -0.05 1.45 1.03 0.02 0.00 0.00 175.26 177.78 2nnq s ARG 130 N -3.82 4.27 0.00 1.61 0.52 -1.26 -0.00 118.95 120.26 2nnq s ARG 130 Ca 0.27 2.29 0.16 0.00 -0.52 0.00 0.00 55.73 57.93 2nnq s ARG 130 Cb 0.05 -3.12 0.93 0.00 0.52 0.00 0.00 34.95 33.33 2nnq s ARG 130 CO 0.08 -0.43 1.35 0.00 0.02 0.00 0.00 175.30 176.31