#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5x s TYR 3 N 0.00 1.22 -0.38 5.64 1.51 -1.26 -5.02 117.35 119.06 1q5x s TYR 3 Ca 0.00 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1q5x s TYR 3 Cb 0.00 -0.70 0.12 0.00 -0.11 0.00 0.00 41.96 41.28 1q5x s TYR 3 CO 0.00 0.05 0.18 0.34 -1.11 0.00 0.00 175.55 175.01 1q5x s ASP 4 N -1.56 3.74 0.40 2.29 -1.08 -1.26 -4.80 116.67 114.41 1q5x s ASP 4 Ca -0.01 -2.23 0.11 0.00 -0.52 0.00 0.00 52.55 49.90 1q5x s ASP 4 Cb -0.09 -0.93 0.91 0.00 -1.46 0.00 0.00 42.92 41.35 1q5x s ASP 4 CO 0.02 -0.33 1.95 0.71 0.52 0.00 0.00 175.17 178.04 1q5x h THR 5 N 5.69 0.91 -0.10 1.71 1.35 -1.90 -1.23 112.91 119.35 1q5x h THR 5 Ca -0.05 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 1q5x h THR 5 Cb 0.96 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1q5x h THR 5 CO 0.46 0.10 -0.00 0.28 -0.25 0.00 0.00 175.52 176.11 1q5x h SER 6 N 0.56 0.17 -0.58 5.36 0.02 -1.96 -1.48 113.55 115.64 1q5x h SER 6 Ca 0.32 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1q5x h SER 6 Cb 0.52 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1q5x h SER 6 CO -0.11 0.44 0.36 -0.08 -1.14 0.00 0.00 176.83 176.30 1q5x h GLU 7 N -0.10 0.68 -0.71 3.45 4.81 -1.86 -2.16 114.58 118.69 1q5x h GLU 7 Ca 0.03 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1q5x h GLU 7 Cb 0.35 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1q5x h GLU 7 CO 0.01 0.45 0.32 -0.07 -0.73 0.00 0.00 179.01 178.99 1q5x h LEU 8 N 0.71 0.93 -1.23 1.64 3.38 -1.14 -1.88 115.31 117.71 1q5x h LEU 8 Ca 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1q5x h LEU 8 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1q5x h LEU 8 CO -0.10 0.80 0.06 0.00 0.09 0.00 0.00 178.44 179.29 1q5x h ASP 10 N 0.58 1.06 0.25 0.00 3.32 -0.76 0.40 116.42 121.26 1q5x h ASP 10 Ca 0.13 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1q5x h ASP 10 Cb 0.27 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1q5x h ASP 10 CO 0.00 1.12 -0.12 0.40 -1.72 0.00 0.00 179.24 178.92 1q5x h ILE 11 N 0.97 0.71 0.00 0.35 2.04 -0.84 -3.37 117.51 117.37 1q5x h ILE 11 Ca 0.17 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 65.06 1q5x h ILE 11 Cb 0.59 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1q5x h ILE 11 CO 0.04 0.16 -1.16 1.88 0.00 0.00 0.00 178.15 179.06 1q5x h TYR 12 N -0.84 0.00 0.00 1.37 -1.99 -0.72 -3.49 116.97 111.30 1q5x h TYR 12 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1q5x h TYR 12 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.24 1q5x h TYR 12 CO 0.05 0.42 0.00 1.04 -0.00 0.00 0.00 178.16 179.67 1q5x n GLN 13 N -2.89 0.00 0.10 4.88 1.13 0.14 -0.76 117.38 119.97 1q5x n GLN 13 Ca -0.06 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.09 1q5x n GLN 13 Cb 0.75 0.00 0.41 0.00 0.11 0.00 0.00 30.24 31.51 1q5x n GLN 13 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1q5x n GLU 14 N 14.00 0.11 0.00 -1.09 -0.58 -1.26 -2.79 120.64 129.03 1q5x n GLU 14 Ca 0.00 0.47 0.09 0.00 -0.42 0.00 0.00 57.16 57.31 1q5x n GLU 14 Cb 0.00 -1.77 0.45 0.00 -0.57 0.00 0.00 31.44 29.55 1q5x n GLU 14 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1q5x n ASP 15 N -1.99 0.00 -4.17 1.62 8.00 0.06 -4.71 116.55 115.35 1q5x n ASP 15 Ca 0.01 0.27 -0.20 0.00 0.71 0.00 0.00 54.79 55.57 1q5x n ASP 15 Cb 0.12 -0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.69 1q5x n ASP 15 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q5x s VAL 16 N -2.80 1.20 0.20 2.53 -7.23 -1.12 -4.51 120.40 108.67 1q5x s VAL 16 Ca 0.14 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1q5x s VAL 16 Cb 0.13 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 1q5x s VAL 16 CO 0.33 -0.03 0.41 0.20 -0.31 0.00 0.00 175.10 175.69 1q5x s ASN 17 N -1.33 6.41 -0.16 4.85 0.01 -0.18 -4.90 114.94 119.63 1q5x s ASN 17 Ca 0.02 0.47 0.01 0.00 -0.71 0.00 0.00 52.86 52.65 1q5x s ASN 17 Cb -0.09 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.55 1q5x s ASN 17 CO 0.02 -0.04 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.68 1q5x s VAL 18 N -1.86 1.98 0.26 1.60 1.01 -1.26 -0.49 120.40 121.64 1q5x s VAL 18 Ca 0.39 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1q5x s VAL 18 Cb -0.11 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 1q5x s VAL 18 CO 0.28 0.53 1.28 -0.69 0.00 0.00 0.00 175.10 176.50 1q5x s VAL 19 N 1.17 3.06 0.50 2.92 1.01 -0.28 -4.87 120.40 123.90 1q5x s VAL 19 Ca 0.01 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 1q5x s VAL 19 Cb -0.14 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1q5x s VAL 19 CO -0.09 0.19 0.80 -0.62 0.00 0.00 0.00 175.10 175.37 1q5x n GLU 20 N 1.71 0.90 -1.18 2.72 1.02 -0.52 -4.63 120.64 120.66 1q5x n GLU 20 Ca 0.03 0.33 -0.38 0.00 -0.02 0.00 0.00 57.16 57.12 1q5x n GLU 20 Cb 0.43 -1.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 1q5x n GLU 20 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1q5x n PRO 21 N -0.07 2.04 0.00 3.49 -0.04 -1.26 -4.41 135.00 134.75 1q5x n PRO 21 Ca 0.11 -1.92 0.03 0.00 -0.04 0.00 0.00 63.50 61.68 1q5x n PRO 21 Cb 0.43 -2.87 0.01 0.00 -0.04 0.00 0.00 33.50 31.03 1q5x n PRO 21 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q5x n LEU 22 N 6.20 1.19 -4.87 1.53 4.77 -1.26 -5.06 117.00 119.50 1q5x n LEU 22 Ca 0.51 -0.84 -0.21 0.00 -0.03 0.00 0.00 56.01 55.44 1q5x n LEU 22 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1q5x n LEU 22 CO 0.92 0.25 -0.05 -0.36 -1.33 0.00 0.00 177.39 176.82 1q5x s PHE 23 N -0.92 2.90 0.19 -1.77 0.40 -1.26 -4.65 117.98 112.87 1q5x s PHE 23 Ca 0.07 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1q5x s PHE 23 Cb 0.06 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.67 1q5x s PHE 23 CO 0.15 0.12 -0.04 -1.12 0.70 0.00 0.00 175.22 175.03 1q5x s SER 24 N -4.03 1.77 -0.23 1.36 0.01 -0.67 -4.95 113.70 106.97 1q5x s SER 24 Ca 0.42 -1.13 -0.15 0.00 1.31 0.00 0.00 55.95 56.40 1q5x s SER 24 Cb -0.06 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 1q5x s SER 24 CO 0.27 -0.44 0.34 0.21 0.41 0.00 0.00 173.24 174.03 1q5x s ASN 25 N -3.24 6.32 0.00 2.44 3.84 -1.26 -2.21 114.94 120.83 1q5x s ASN 25 Ca 0.23 0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.68 1q5x s ASN 25 Cb 0.04 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 1q5x s ASN 25 CO 0.05 -0.08 0.29 0.49 -2.79 0.00 0.00 177.10 175.06 1q5x n PHE 26 N 4.68 0.00 -3.29 0.43 3.01 0.27 -5.02 117.46 117.54 1q5x n PHE 26 Ca -0.10 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.16 1q5x n PHE 26 Cb 0.51 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.00 1q5x n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1q5x s GLY 27 N -0.29 1.99 0.40 1.37 0.00 -1.21 -2.31 107.32 107.27 1q5x s GLY 27 Ca 0.00 -1.81 0.29 0.00 0.00 0.00 0.00 44.72 43.19 1q5x s GLY 27 CO 0.00 -1.68 1.84 -1.33 0.00 0.00 0.00 173.10 171.94 1q5x h GLY 28 N 0.60 0.00 -6.38 0.20 0.00 -0.36 -3.43 103.07 93.69 1q5x h GLY 28 Ca -0.36 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.36 1q5x h GLY 28 CO 0.49 0.00 -0.34 0.50 0.00 0.00 0.00 176.54 177.18 1q5x s ARG 29 N -3.48 4.18 0.10 4.80 0.52 -1.08 -4.84 118.95 119.15 1q5x s ARG 29 Ca 0.03 0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.09 1q5x s ARG 29 Cb 0.09 -3.49 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 1q5x s ARG 29 CO 0.47 0.11 1.52 0.00 0.02 0.00 0.00 175.30 177.42 1q5x h ALA 30 N 7.11 0.43 -3.15 2.13 0.00 -1.92 -3.43 119.26 120.43 1q5x h ALA 30 Ca -0.39 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 53.96 1q5x h ALA 30 Cb 1.16 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.63 1q5x h ALA 30 CO 0.72 0.22 -0.74 -1.54 0.00 0.00 0.00 179.25 177.91 1q5x s SER 31 N -6.13 1.08 0.27 0.00 1.04 -1.26 -3.51 113.70 105.19 1q5x s SER 31 Ca -0.13 -0.60 -0.21 0.00 0.48 0.00 0.00 55.95 55.48 1q5x s SER 31 Cb 0.08 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1q5x s SER 31 CO 0.78 -0.19 0.72 0.72 0.98 0.00 0.00 173.24 176.25 1q5x s PHE 32 N -1.53 -0.20 -0.11 5.02 -0.12 -0.57 -4.29 117.98 116.18 1q5x s PHE 32 Ca -0.06 -0.24 -0.33 0.00 -0.05 0.00 0.00 56.93 56.25 1q5x s PHE 32 Cb -0.09 0.70 0.14 0.00 -0.63 0.00 0.00 43.02 43.15 1q5x s PHE 32 CO 0.01 -1.21 1.39 0.20 -0.05 0.00 0.00 175.22 175.56 1q5x s GLY 33 N -2.91 -0.44 0.00 1.99 0.00 -1.26 -1.38 107.32 103.31 1q5x s GLY 33 Ca 0.11 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1q5x s GLY 33 CO 0.06 0.23 0.00 0.61 0.00 0.00 0.00 173.10 174.00 1q5x n GLY 34 N -0.42 -1.94 3.74 0.20 0.00 -0.54 -4.70 105.19 101.53 1q5x n GLY 34 Ca -0.07 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1q5x n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q5x s GLN 35 N -1.91 4.52 0.18 1.61 0.74 -0.78 -1.61 119.66 122.41 1q5x s GLN 35 Ca 0.00 1.87 0.03 0.00 0.05 0.00 0.00 55.36 57.32 1q5x s GLN 35 Cb 0.00 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 1q5x s GLN 35 CO 0.00 -0.02 0.30 0.96 -0.55 0.00 0.00 175.29 175.98 1q5x s ILE 36 N -0.36 5.26 -0.15 -2.34 -4.36 0.67 -1.57 121.20 118.36 1q5x s ILE 36 Ca 0.51 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 60.09 1q5x s ILE 36 Cb -0.33 -3.76 0.02 0.00 1.25 0.00 0.00 42.46 39.65 1q5x s ILE 36 CO 0.38 -0.17 -0.14 -0.63 0.24 0.00 0.00 174.94 174.62 1q5x s ILE 37 N -1.82 1.56 0.36 8.37 1.01 -0.92 0.04 121.20 129.79 1q5x s ILE 37 Ca 0.34 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 1q5x s ILE 37 Cb -0.10 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.82 1q5x s ILE 37 CO 0.28 0.46 0.77 0.42 0.00 0.00 0.00 174.94 176.87 1q5x s THR 38 N 1.49 4.67 -0.07 2.92 -4.23 -1.26 -1.94 115.64 117.22 1q5x s THR 38 Ca 0.05 0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 61.45 1q5x s THR 38 Cb -0.13 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.10 1q5x s THR 38 CO -0.11 -0.29 0.16 -0.69 -0.54 0.00 0.00 174.62 173.16 1q5x s VAL 39 N -2.11 -0.03 -0.07 2.29 1.01 -0.49 -1.21 120.40 119.79 1q5x s VAL 39 Ca 0.54 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.67 1q5x s VAL 39 Cb -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1q5x s VAL 39 CO 0.21 0.04 -0.24 -0.75 0.00 0.00 0.00 175.10 174.36 1q5x s LYS 40 N 0.69 2.67 0.17 2.72 2.20 0.62 0.12 119.74 128.94 1q5x s LYS 40 Ca -0.05 -0.86 -0.22 0.00 -0.36 0.00 0.00 55.97 54.48 1q5x s LYS 40 Cb -0.07 -2.15 0.08 0.00 -1.51 0.00 0.00 37.83 34.18 1q5x s LYS 40 CO -0.04 0.28 1.06 0.00 -0.36 0.00 0.00 175.35 176.29 1q5x s PHE 42 N -2.09 -0.89 -1.48 0.00 5.36 -1.26 -3.98 117.98 113.64 1q5x s PHE 42 Ca 0.23 1.49 -0.16 0.00 -0.96 0.00 0.00 56.93 57.52 1q5x s PHE 42 Cb -0.03 0.31 0.15 0.00 -0.34 0.00 0.00 43.02 43.12 1q5x s PHE 42 CO 0.05 -0.56 0.58 0.39 -1.46 0.00 0.00 175.22 174.22 1q5x n GLU 43 N 5.39 -2.40 -3.67 10.12 1.02 -1.26 -4.90 120.64 124.94 1q5x n GLU 43 Ca -0.08 0.28 -0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1q5x n GLU 43 Cb 0.50 -4.93 -0.09 0.00 -0.02 0.00 0.00 31.44 26.90 1q5x n GLU 43 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q5x s ASP 44 N -3.00 -0.69 -0.07 1.62 -1.08 -1.26 -2.73 116.67 109.46 1q5x s ASP 44 Ca 0.62 1.19 0.10 0.00 -0.52 0.00 0.00 52.55 53.94 1q5x s ASP 44 Cb -0.35 1.22 0.20 0.00 -1.46 0.00 0.00 42.92 42.53 1q5x s ASP 44 CO 0.76 -0.22 1.13 -0.46 0.52 0.00 0.00 175.17 176.91 1q5x n ASN 45 N 4.57 2.45 -0.24 -0.34 0.23 -0.03 -4.73 115.26 117.17 1q5x n ASN 45 Ca -0.19 -2.49 0.01 0.00 -0.53 0.00 0.00 54.58 51.38 1q5x n ASN 45 Cb 0.55 -0.24 0.14 0.00 -2.08 0.00 0.00 39.78 38.14 1q5x n ASN 45 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1q5x h GLY 46 N 0.46 1.06 1.15 4.83 0.00 -1.73 -0.48 103.07 108.35 1q5x h GLY 46 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1q5x h GLY 46 CO 0.03 0.06 0.57 -2.00 0.00 0.00 0.00 176.54 175.19 1q5x h LEU 47 N 0.60 1.00 -1.26 3.11 6.46 -1.84 -1.84 115.31 121.55 1q5x h LEU 47 Ca 0.35 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1q5x h LEU 47 Cb 0.36 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1q5x h LEU 47 CO -0.27 0.73 0.20 -0.07 -0.62 0.00 0.00 178.44 178.41 1q5x h LEU 48 N 1.18 0.65 -0.44 2.25 3.38 -1.43 -1.58 115.31 119.32 1q5x h LEU 48 Ca 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1q5x h LEU 48 Cb -0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1q5x h LEU 48 CO -0.07 0.59 0.27 1.88 0.09 0.00 0.00 178.44 181.20 1q5x h TYR 49 N 0.71 0.56 -0.03 1.13 -1.99 -0.78 0.11 116.97 116.68 1q5x h TYR 49 Ca 0.17 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.93 1q5x h TYR 49 Cb 0.14 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 1q5x h TYR 49 CO 0.01 0.38 -0.09 -0.44 -0.00 0.00 0.00 178.16 178.02 1q5x h ASP 50 N 0.58 -0.26 0.02 3.88 3.32 -1.12 -1.22 116.42 121.62 1q5x h ASP 50 Ca 0.16 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1q5x h ASP 50 Cb -0.03 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1q5x h ASP 50 CO -0.03 -0.13 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.28 1q5x h LEU 51 N -0.14 -0.02 -1.50 1.55 3.38 -1.08 -2.79 115.31 114.72 1q5x h LEU 51 Ca 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1q5x h LEU 51 Cb 0.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1q5x h LEU 51 CO -0.11 0.19 0.00 -0.07 0.09 0.00 0.00 178.44 178.53 1q5x h LEU 52 N -0.23 0.00 -1.57 1.67 3.38 -0.74 -1.67 115.31 116.16 1q5x h LEU 52 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1q5x h LEU 52 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1q5x h LEU 52 CO 0.00 0.00 -0.16 -0.33 0.09 0.00 0.00 178.44 178.04 1q5x h GLU 53 N 0.00 0.00 -7.21 1.13 5.08 -0.92 -3.42 114.58 109.24 1q5x h GLU 53 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1q5x h GLU 53 Cb 0.27 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.58 1q5x h GLU 53 CO 0.00 0.16 0.26 -0.65 -1.00 0.00 0.00 179.01 177.78 1q5x s GLN 54 N -3.92 3.15 0.43 2.33 -0.21 -0.63 -4.98 119.66 115.82 1q5x s GLN 54 Ca -0.01 0.28 -0.25 0.00 0.02 0.00 0.00 55.36 55.40 1q5x s GLN 54 Cb 0.12 -2.20 -0.08 0.00 1.00 0.00 0.00 33.01 31.85 1q5x s GLN 54 CO 0.60 -0.66 1.24 1.21 -2.12 0.00 0.00 175.29 175.56 1q5x s ASN 55 N -4.26 6.26 -0.05 5.90 3.84 -1.26 -4.83 114.94 120.54 1q5x s ASN 55 Ca 0.54 2.50 0.07 0.00 0.21 0.00 0.00 52.86 56.18 1q5x s ASN 55 Cb -0.11 -2.62 0.11 0.00 -0.55 0.00 0.00 41.25 38.08 1q5x s ASN 55 CO 0.48 -0.87 0.99 0.61 -2.79 0.00 0.00 177.10 175.52 1q5x n GLY 56 N 0.62 1.99 3.64 1.21 0.00 0.36 -4.99 105.19 108.03 1q5x n GLY 56 Ca 0.05 -0.42 -0.50 0.00 0.00 0.00 0.00 46.02 45.16 1q5x n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q5x n ARG 57 N -0.60 1.67 -0.98 1.61 0.63 -1.22 0.41 116.66 118.17 1q5x n ARG 57 Ca 0.06 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1q5x n ARG 57 Cb 0.59 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.18 1q5x n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1q5x n GLY 58 N 3.19 0.41 3.40 5.14 0.00 -1.26 -4.95 105.19 111.11 1q5x n GLY 58 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1q5x n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q5x s ARG 59 N -0.53 1.44 -0.06 1.61 0.52 0.17 -1.87 118.95 120.22 1q5x s ARG 59 Ca 0.00 -1.47 0.04 0.00 -0.52 0.00 0.00 55.73 53.77 1q5x s ARG 59 Cb 0.00 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.75 1q5x s ARG 59 CO 0.00 0.37 -0.17 0.08 0.02 0.00 0.00 175.30 175.60 1q5x s VAL 60 N -1.68 1.49 -0.25 3.52 1.01 -0.61 -1.00 120.40 122.88 1q5x s VAL 60 Ca 0.19 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1q5x s VAL 60 Cb -0.08 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1q5x s VAL 60 CO 0.09 0.43 0.45 -0.22 0.00 0.00 0.00 175.10 175.85 1q5x s LEU 61 N 0.33 4.07 -0.37 3.92 2.96 -0.62 -2.17 118.68 126.80 1q5x s LEU 61 Ca -0.11 0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1q5x s LEU 61 Cb -0.15 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.01 1q5x s LEU 61 CO 0.04 -0.22 0.19 -0.69 -1.32 0.00 0.00 176.35 174.35 1q5x s VAL 62 N 2.04 4.27 -0.34 1.68 1.01 -0.82 -1.18 120.40 127.06 1q5x s VAL 62 Ca 0.19 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1q5x s VAL 62 Cb -0.16 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1q5x s VAL 62 CO 0.09 -0.27 0.20 -0.69 0.00 0.00 0.00 175.10 174.43 1q5x s VAL 63 N 1.48 4.82 -0.81 2.92 1.01 0.15 -1.40 120.40 128.57 1q5x s VAL 63 Ca 0.01 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 1q5x s VAL 63 Cb -0.20 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1q5x s VAL 63 CO 0.05 -0.04 1.15 -0.62 0.00 0.00 0.00 175.10 175.64 1q5x s ASP 64 N 1.63 6.35 -0.16 3.32 -1.08 0.12 -0.76 116.67 126.09 1q5x s ASP 64 Ca 0.04 -1.25 0.13 0.00 -0.52 0.00 0.00 52.55 50.95 1q5x s ASP 64 Cb -0.18 -2.47 0.64 0.00 -1.46 0.00 0.00 42.92 39.46 1q5x s ASP 64 CO 0.08 -1.43 1.50 0.61 0.52 0.00 0.00 175.17 176.45 1q5x n GLY 65 N 5.68 2.55 2.56 2.66 0.00 -0.79 -1.89 105.19 115.96 1q5x n GLY 65 Ca 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1q5x n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q5x n GLY 66 N 0.67 0.30 2.29 -0.02 0.00 -1.17 -2.93 105.19 104.32 1q5x n GLY 66 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1q5x n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q5x n GLY 67 N -1.25 0.62 3.71 -0.02 0.00 0.76 -4.97 105.19 104.04 1q5x n GLY 67 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1q5x n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q5x s SER 68 N -2.68 7.09 -0.24 1.61 0.15 -1.15 -4.77 113.70 113.71 1q5x s SER 68 Ca 0.00 2.00 0.12 0.00 0.70 0.00 0.00 55.95 58.77 1q5x s SER 68 Cb 0.00 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.21 1q5x s SER 68 CO 0.00 -0.46 1.39 1.33 1.20 0.00 0.00 173.24 176.69 1q5x n VAL 69 N 3.93 2.37 -0.05 4.45 0.24 -1.26 -2.18 118.33 125.83 1q5x n VAL 69 Ca 0.09 -2.56 -0.01 0.00 -2.04 0.00 0.00 64.34 59.82 1q5x n VAL 69 Cb 0.46 -0.29 -0.13 0.00 -1.47 0.00 0.00 33.84 32.42 1q5x n VAL 69 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1q5x n ARG 70 N -1.03 1.00 -4.13 7.34 1.74 -1.26 -4.82 116.66 115.50 1q5x n ARG 70 Ca 0.27 -0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 57.12 1q5x n ARG 70 Cb 0.91 -1.42 -0.14 0.00 -1.02 0.00 0.00 32.46 30.79 1q5x n ARG 70 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1q5x s ARG 71 N -2.73 0.41 -0.23 5.56 1.81 -1.26 -4.62 118.95 117.88 1q5x s ARG 71 Ca -0.07 -0.23 -0.17 0.00 -1.72 0.00 0.00 55.73 53.54 1q5x s ARG 71 Cb 0.07 -0.37 -0.03 0.00 -0.45 0.00 0.00 34.95 34.17 1q5x s ARG 71 CO 0.70 0.10 0.45 0.00 -0.68 0.00 0.00 175.30 175.87 1q5x s ALA 72 N -0.23 3.56 -0.01 2.13 0.00 0.33 -4.11 121.76 123.44 1q5x s ALA 72 Ca 0.01 -0.57 0.12 0.00 0.00 0.00 0.00 51.96 51.51 1q5x s ALA 72 Cb -0.03 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1q5x s ALA 72 CO -0.00 -0.51 1.41 -0.07 0.00 0.00 0.00 175.76 176.59 1q5x h LEU 73 N 8.18 0.00 -8.38 0.00 3.38 -1.60 -0.73 115.31 116.15 1q5x h LEU 73 Ca -0.33 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.08 1q5x h LEU 73 Cb 1.15 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.62 1q5x h LEU 73 CO 0.71 0.69 -0.84 -0.69 0.09 0.00 0.00 178.44 178.40 1q5x s VAL 74 N -2.93 1.47 0.25 1.22 1.01 -1.24 -4.77 120.40 115.41 1q5x s VAL 74 Ca 0.02 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1q5x s VAL 74 Cb 0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1q5x s VAL 74 CO 0.77 0.36 0.21 -0.90 0.00 0.00 0.00 175.10 175.55 1q5x n ASP 75 N 2.48 -0.54 -0.29 3.32 3.85 -1.26 0.20 116.55 124.31 1q5x n ASP 75 Ca -0.15 -2.66 0.05 0.00 -0.71 0.00 0.00 54.79 51.32 1q5x n ASP 75 Cb 0.54 1.27 0.19 0.00 -1.35 0.00 0.00 41.12 41.77 1q5x n ASP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1q5x h ALA 76 N 1.81 1.21 0.89 2.12 0.00 -1.85 -1.11 119.26 122.34 1q5x h ALA 76 Ca -0.18 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1q5x h ALA 76 Cb 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1q5x h ALA 76 CO 0.26 0.01 -0.48 1.49 0.00 0.00 0.00 179.25 180.53 1q5x h GLU 77 N 0.71 -1.22 -0.65 0.00 4.81 -1.96 -1.10 114.58 115.17 1q5x h GLU 77 Ca 0.42 0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.73 1q5x h GLU 77 Cb 0.49 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1q5x h GLU 77 CO -0.30 -0.81 0.37 1.25 -0.73 0.00 0.00 179.01 178.79 1q5x h LEU 78 N -1.27 0.78 -0.86 1.64 5.85 -1.94 -2.31 115.31 117.21 1q5x h LEU 78 Ca -0.12 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 1q5x h LEU 78 Cb 0.99 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1q5x h LEU 78 CO 0.17 0.62 -0.13 0.00 -0.34 0.00 0.00 178.44 178.75 1q5x h ALA 79 N 1.51 1.04 0.00 1.25 0.00 -1.09 -0.98 119.26 120.99 1q5x h ALA 79 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1q5x h ALA 79 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1q5x h ALA 79 CO -0.04 0.58 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 1q5x h ARG 80 N 0.63 0.00 -0.00 0.00 3.08 -0.68 -1.10 114.38 116.31 1q5x h ARG 80 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1q5x h ARG 80 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1q5x h ARG 80 CO 0.04 0.14 -0.09 1.25 -1.07 0.00 0.00 179.97 180.23 1q5x h LEU 81 N 0.00 0.09 -1.29 3.04 5.85 -0.85 -0.46 115.31 121.69 1q5x h LEU 81 Ca -0.00 -0.77 0.07 0.00 0.84 0.00 0.00 57.88 58.02 1q5x h LEU 81 Cb 0.71 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1q5x h LEU 81 CO 0.02 0.85 0.53 0.00 -0.34 0.00 0.00 178.44 179.49 1q5x h ALA 82 N 0.24 1.64 -0.20 1.25 0.00 -1.03 0.21 119.26 121.38 1q5x h ALA 82 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1q5x h ALA 82 Cb 0.86 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1q5x h ALA 82 CO 0.02 0.23 -0.06 0.28 0.00 0.00 0.00 179.25 179.72 1q5x h VAL 83 N 0.85 1.29 -0.76 0.00 2.07 -1.18 0.99 116.25 119.51 1q5x h VAL 83 Ca 0.35 -1.06 0.12 0.00 0.82 0.00 0.00 66.70 66.93 1q5x h VAL 83 Cb 0.27 1.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 1q5x h VAL 83 CO -0.13 0.32 0.36 -0.61 0.02 0.00 0.00 177.57 177.53 1q5x h GLN 84 N 0.10 0.55 -0.83 1.57 5.75 0.25 0.21 115.11 122.71 1q5x h GLN 84 Ca 0.05 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1q5x h GLN 84 Cb 0.52 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1q5x h GLN 84 CO 0.02 0.36 0.00 0.09 -2.65 0.00 0.00 178.83 176.65 1q5x n ASN 85 N -4.90 2.66 -1.70 -0.69 3.02 -0.07 -4.91 115.26 108.68 1q5x n ASN 85 Ca 0.13 -2.32 -0.21 0.00 -0.03 0.00 0.00 54.58 52.15 1q5x n ASN 85 Cb 0.35 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1q5x n ASN 85 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q5x n GLU 86 N 0.23 -1.48 -1.73 3.52 1.02 0.73 -0.48 120.64 122.45 1q5x n GLU 86 Ca 0.10 1.21 -0.42 0.00 -0.02 0.00 0.00 57.16 58.03 1q5x n GLU 86 Cb 0.58 -5.63 -0.01 0.00 -0.02 0.00 0.00 31.44 26.35 1q5x n GLU 86 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1q5x n TRP 87 N -2.56 2.63 0.08 -0.32 7.02 0.31 -3.42 117.44 121.16 1q5x n TRP 87 Ca -0.21 0.38 -0.13 0.00 -1.02 0.00 0.00 57.50 56.52 1q5x n TRP 87 Cb 0.69 -2.52 -0.08 0.00 -2.42 0.00 0.00 31.31 26.98 1q5x n TRP 87 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1q5x h GLU 88 N 3.92 -0.12 -2.20 -0.99 4.39 -1.11 -3.45 114.58 115.03 1q5x h GLU 88 Ca -0.47 0.01 0.28 0.00 0.34 0.00 0.00 59.36 59.51 1q5x h GLU 88 Cb 1.25 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 1q5x h GLU 88 CO 0.73 -0.02 0.78 0.20 -1.16 0.00 0.00 179.01 179.54 1q5x s GLY 89 N -2.31 -0.08 -0.01 -3.84 0.00 -1.23 -1.88 107.32 97.97 1q5x s GLY 89 Ca -0.14 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.59 1q5x s GLY 89 CO 0.65 3.82 -0.09 1.08 0.00 0.00 0.00 173.10 178.56 1q5x s LEU 90 N -3.56 1.92 -0.26 0.66 1.43 0.27 -1.58 118.68 117.55 1q5x s LEU 90 Ca 0.25 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1q5x s LEU 90 Cb -0.01 -0.50 0.06 0.00 0.03 0.00 0.00 46.19 45.78 1q5x s LEU 90 CO 0.01 0.09 -0.09 -0.69 0.23 0.00 0.00 176.35 175.90 1q5x s VAL 91 N -0.04 1.98 -0.27 -1.59 1.01 -0.32 -0.58 120.40 120.58 1q5x s VAL 91 Ca 0.01 -1.54 -0.06 0.00 0.00 0.00 0.00 61.98 60.39 1q5x s VAL 91 Cb -0.06 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1q5x s VAL 91 CO -0.00 -0.07 0.05 -0.63 0.00 0.00 0.00 175.10 174.45 1q5x s ILE 92 N 1.18 3.81 -1.37 2.22 1.09 0.20 -0.67 121.20 127.66 1q5x s ILE 92 Ca -0.07 -0.64 -0.12 0.00 -1.10 0.00 0.00 60.65 58.72 1q5x s ILE 92 Cb -0.20 -2.91 0.10 0.00 -1.06 0.00 0.00 42.46 38.39 1q5x s ILE 92 CO -0.06 0.17 2.04 0.00 -0.10 0.00 0.00 174.94 176.99 1q5x n TYR 93 N 4.84 3.35 0.00 3.97 -0.00 0.06 -3.20 117.16 126.18 1q5x n TYR 93 Ca -0.15 -2.90 0.00 0.00 -0.00 0.00 0.00 57.90 54.85 1q5x n TYR 93 Cb 0.49 -2.28 0.00 0.00 -0.00 0.00 0.00 39.34 37.54 1q5x n TYR 93 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1q5x n GLY 94 N 3.57 -0.87 3.57 2.98 0.00 -1.26 -0.17 105.19 113.00 1q5x n GLY 94 Ca 0.46 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 1q5x n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q5x s ALA 95 N -1.00 2.99 0.44 4.61 0.00 -0.93 -0.59 121.76 127.28 1q5x s ALA 95 Ca 0.00 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.19 1q5x s ALA 95 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1q5x s ALA 95 CO 0.00 0.24 0.03 0.14 0.00 0.00 0.00 175.76 176.17 1q5x s VAL 96 N -2.44 1.30 0.05 0.00 -7.23 -0.35 -1.48 120.40 110.25 1q5x s VAL 96 Ca 0.31 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1q5x s VAL 96 Cb -0.05 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1q5x s VAL 96 CO 0.18 0.00 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.34 1q5x s ARG 97 N -3.80 0.56 -1.34 4.82 3.52 0.13 -2.35 118.95 120.49 1q5x s ARG 97 Ca 0.21 -1.11 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 1q5x s ARG 97 Cb 0.05 0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 1q5x s ARG 97 CO 0.11 -0.10 0.80 1.04 -0.81 0.00 0.00 175.30 176.33 1q5x n GLN 98 N 0.36 -5.31 -0.30 5.12 6.02 -1.26 -4.00 117.38 118.01 1q5x n GLN 98 Ca -0.16 0.65 0.26 0.00 -0.01 0.00 0.00 57.00 57.74 1q5x n GLN 98 Cb 0.60 -5.32 0.60 0.00 1.02 0.00 0.00 30.24 27.13 1q5x n GLN 98 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1q5x h VAL 99 N -1.95 0.51 -0.37 5.09 -1.51 -1.93 0.15 116.25 116.23 1q5x h VAL 99 Ca -0.60 -0.08 -0.04 0.00 -1.23 0.00 0.00 66.70 64.74 1q5x h VAL 99 Cb 1.36 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 1q5x h VAL 99 CO 0.58 0.04 0.06 0.44 -1.23 0.00 0.00 177.57 177.46 1q5x h ASP 100 N 0.24 0.51 0.34 4.19 5.19 -1.92 -1.30 116.42 123.68 1q5x h ASP 100 Ca 0.56 -0.08 -0.32 0.00 -0.62 0.00 0.00 57.03 56.57 1q5x h ASP 100 Cb 1.71 -0.13 0.03 0.00 0.18 0.00 0.00 39.33 41.12 1q5x h ASP 100 CO -0.18 0.54 -1.41 0.44 -3.12 0.00 0.00 179.24 175.51 1q5x h ASP 101 N 0.54 0.76 -0.28 6.45 5.19 -1.09 -3.30 116.42 124.69 1q5x h ASP 101 Ca 0.12 -0.80 -0.01 0.00 -0.62 0.00 0.00 57.03 55.72 1q5x h ASP 101 Cb 0.25 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1q5x h ASP 101 CO 0.00 1.62 0.14 -0.07 -3.12 0.00 0.00 179.24 177.82 1q5x h LEU 102 N 0.14 0.39 -1.90 1.55 3.38 -1.04 -1.95 115.31 115.87 1q5x h LEU 102 Ca -0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1q5x h LEU 102 Cb 2.11 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.76 1q5x h LEU 102 CO 0.26 0.34 -0.11 -0.33 0.09 0.00 0.00 178.44 178.69 1q5x h GLU 103 N 0.44 0.00 -0.01 1.13 4.39 -0.82 -2.27 114.58 117.44 1q5x h GLU 103 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1q5x h GLU 103 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1q5x h GLU 103 CO -0.01 0.11 -0.15 0.39 -1.16 0.00 0.00 179.01 178.19 1q5x n GLU 104 N -4.08 1.07 -3.32 2.33 1.02 -0.74 -3.01 120.64 113.92 1q5x n GLU 104 Ca -0.02 -0.57 -0.38 0.00 -0.02 0.00 0.00 57.16 56.16 1q5x n GLU 104 Cb 0.20 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 1q5x n GLU 104 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q5x s LEU 105 N -2.33 4.38 -1.10 -4.62 1.43 -0.88 -4.85 118.68 110.70 1q5x s LEU 105 Ca 0.30 0.98 -0.19 0.00 -1.03 0.00 0.00 54.13 54.19 1q5x s LEU 105 Cb 0.20 -2.76 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 1q5x s LEU 105 CO 0.45 0.12 1.99 -0.67 0.23 0.00 0.00 176.35 178.47 1q5x n ASP 106 N 2.85 3.31 -3.55 2.29 2.03 -1.26 -0.28 116.55 121.94 1q5x n ASP 106 Ca -0.09 -2.76 -0.14 0.00 0.52 0.00 0.00 54.79 52.33 1q5x n ASP 106 Cb 0.51 -1.45 -0.05 0.00 -0.72 0.00 0.00 41.12 39.41 1q5x n ASP 106 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1q5x s ILE 107 N 5.39 0.00 0.16 5.18 2.07 -1.26 -4.93 121.20 127.81 1q5x s ILE 107 Ca 0.56 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.55 1q5x s ILE 107 Cb 0.10 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.62 1q5x s ILE 107 CO 0.06 0.00 0.76 -0.83 -1.91 0.00 0.00 174.94 173.02 1q5x s GLY 108 N -1.18 2.90 -0.13 1.50 0.00 -0.79 -2.62 107.32 106.99 1q5x s GLY 108 Ca -0.05 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.96 1q5x s GLY 108 CO 0.05 0.83 0.22 -0.42 0.00 0.00 0.00 173.10 173.77 1q5x s ILE 109 N -1.16 -0.34 -0.11 0.90 1.01 -1.25 0.95 121.20 121.20 1q5x s ILE 109 Ca 0.35 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.24 1q5x s ILE 109 Cb -0.23 -0.45 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 1q5x s ILE 109 CO 0.26 0.05 -0.22 -1.10 0.00 0.00 0.00 174.94 173.92 1q5x s GLN 110 N 2.35 3.09 0.24 2.79 -1.52 0.25 -0.57 119.66 126.29 1q5x s GLN 110 Ca 0.03 -0.85 -0.09 0.00 -1.95 0.00 0.00 55.36 52.50 1q5x s GLN 110 Cb -0.13 -2.36 -0.01 0.00 -0.22 0.00 0.00 33.01 30.28 1q5x s GLN 110 CO -0.08 0.15 0.38 0.00 -0.25 0.00 0.00 175.29 175.48 1q5x s ALA 111 N 0.42 0.21 0.07 6.09 0.00 -0.94 0.60 121.76 128.22 1q5x s ALA 111 Ca -0.16 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.53 1q5x s ALA 111 Cb -0.17 1.17 -0.25 0.00 0.00 0.00 0.00 23.12 23.87 1q5x s ALA 111 CO 0.07 -0.78 1.16 0.52 0.00 0.00 0.00 175.76 176.73 1q5x h MET 112 N 2.35 0.64 0.00 0.00 2.86 -0.81 -1.77 114.93 118.20 1q5x h MET 112 Ca -0.29 -0.76 0.25 0.00 -2.06 0.00 0.00 59.70 56.83 1q5x h MET 112 Cb 1.25 0.23 -0.05 0.00 0.06 0.00 0.00 31.60 33.10 1q5x h MET 112 CO 0.41 1.33 0.72 0.00 1.06 0.00 0.00 176.91 180.42 1q5x n ALA 113 N -2.65 -2.99 -2.60 6.32 0.00 -1.19 -4.80 120.51 112.60 1q5x n ALA 113 Ca -0.12 -0.85 -0.31 0.00 0.00 0.00 0.00 53.44 52.17 1q5x n ALA 113 Cb 0.93 0.32 -0.10 0.00 0.00 0.00 0.00 19.45 20.60 1q5x n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q5x s ALA 114 N -1.96 3.02 -0.24 0.00 0.00 -1.26 -1.21 121.76 120.12 1q5x s ALA 114 Ca 0.25 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 1q5x s ALA 114 Cb -0.02 -1.06 0.08 0.00 0.00 0.00 0.00 23.12 22.13 1q5x s ALA 114 CO 0.02 0.63 0.56 0.42 0.00 0.00 0.00 175.76 177.39 1q5x s ILE 115 N -1.10 -0.27 0.44 0.00 -1.09 -0.99 -4.93 121.20 113.26 1q5x s ILE 115 Ca 0.19 0.05 0.19 0.00 -2.23 0.00 0.00 60.65 58.85 1q5x s ILE 115 Cb -0.11 -0.84 0.21 0.00 -1.58 0.00 0.00 42.46 40.15 1q5x s ILE 115 CO 0.11 0.02 2.01 1.55 -1.23 0.00 0.00 174.94 177.40 1q5x h PRO 116 N 7.38 0.00 -6.37 2.79 0.13 -1.92 -3.39 132.00 130.62 1q5x h PRO 116 Ca -0.28 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.31 1q5x h PRO 116 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1q5x h PRO 116 CO 0.18 0.17 0.74 0.08 -0.23 0.00 0.00 178.00 178.95 1q5x s VAL 117 N -4.47 3.95 0.59 1.56 1.01 -1.26 -4.92 120.40 116.86 1q5x s VAL 117 Ca -0.04 1.33 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 1q5x s VAL 117 Cb 0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1q5x s VAL 117 CO 0.66 0.02 1.02 -0.83 0.00 0.00 0.00 175.10 175.96 1q5x s GLY 118 N 1.59 1.77 0.51 4.51 0.00 -1.26 -0.51 107.32 113.93 1q5x s GLY 118 Ca 0.60 -0.02 -0.17 0.00 0.00 0.00 0.00 44.72 45.13 1q5x s GLY 118 CO 0.25 0.25 0.99 0.00 0.00 0.00 0.00 173.10 174.59 1q5x s ALA 119 N -3.02 3.06 0.96 3.20 0.00 -0.28 -4.57 121.76 121.10 1q5x s ALA 119 Ca 0.56 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1q5x s ALA 119 Cb -0.11 -3.12 0.16 0.00 0.00 0.00 0.00 23.12 20.05 1q5x s ALA 119 CO 0.48 -0.23 1.11 0.00 0.00 0.00 0.00 175.76 177.12 1q5x s ALA 120 N -2.60 1.34 -0.16 0.00 0.00 -1.11 -4.67 121.76 114.56 1q5x s ALA 120 Ca 0.59 -0.44 0.14 0.00 0.00 0.00 0.00 51.96 52.25 1q5x s ALA 120 Cb -0.10 -3.08 0.41 0.00 0.00 0.00 0.00 23.12 20.36 1q5x s ALA 120 CO 0.31 -2.57 1.20 0.41 0.00 0.00 0.00 175.76 175.11 1q5x n GLY 121 N -1.63 4.28 0.26 0.00 0.00 -1.26 -0.85 105.19 105.98 1q5x n GLY 121 Ca 0.06 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1q5x n GLY 121 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1q5x h GLU 122 N 0.95 0.00 0.00 1.61 4.81 -1.95 -3.37 114.58 116.63 1q5x h GLU 122 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1q5x h GLU 122 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1q5x h GLU 122 CO 0.02 0.02 0.00 0.41 -0.73 0.00 0.00 179.01 178.73 1q5x n GLY 123 N -1.46 0.78 3.76 1.92 0.00 -1.26 -4.92 105.19 104.01 1q5x n GLY 123 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1q5x n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q5x s ILE 124 N -2.00 2.55 0.00 -0.61 1.01 -1.26 -4.27 121.20 116.62 1q5x s ILE 124 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1q5x s ILE 124 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1q5x s ILE 124 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1q5x n GLY 125 N 0.62 3.14 3.48 6.18 0.00 -1.26 -4.68 105.19 112.66 1q5x n GLY 125 Ca 0.06 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1q5x n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q5x s GLU 126 N -2.00 1.73 0.30 1.61 8.01 0.05 -4.97 118.70 123.43 1q5x s GLU 126 Ca 0.00 -1.32 0.11 0.00 0.01 0.00 0.00 54.97 53.77 1q5x s GLU 126 Cb 0.00 -2.02 -0.05 0.00 -4.31 0.00 0.00 34.13 27.74 1q5x s GLU 126 CO 0.00 0.44 -0.12 0.45 0.01 0.00 0.00 175.26 176.04 1q5x s SER 127 N -2.45 3.84 -1.57 -0.19 0.15 -1.26 -0.27 113.70 111.94 1q5x s SER 127 Ca 0.20 -1.00 -0.09 0.00 0.70 0.00 0.00 55.95 55.76 1q5x s SER 127 Cb -0.09 -0.42 0.08 0.00 -1.71 0.00 0.00 66.02 63.87 1q5x s SER 127 CO 0.11 -0.05 0.53 0.47 1.20 0.00 0.00 173.24 175.50 1q5x n ASP 128 N -0.74 -1.50 -4.46 5.45 10.43 -0.35 -4.96 116.55 120.42 1q5x n ASP 128 Ca -0.05 -1.05 -0.25 0.00 2.57 0.00 0.00 54.79 56.01 1q5x n ASP 128 Cb 0.61 -2.68 -0.10 0.00 1.84 0.00 0.00 41.12 40.78 1q5x n ASP 128 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1q5x s VAL 129 N -3.70 2.45 0.03 2.53 -7.23 -1.26 -4.85 120.40 108.38 1q5x s VAL 129 Ca 0.36 -2.33 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 1q5x s VAL 129 Cb -0.20 -2.26 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 1q5x s VAL 129 CO 0.93 -0.34 1.55 -0.60 -0.31 0.00 0.00 175.10 176.32 1q5x s ARG 130 N -3.34 4.23 0.10 4.82 3.52 -1.26 -4.65 118.95 122.38 1q5x s ARG 130 Ca 0.28 2.17 0.07 0.00 -0.13 0.00 0.00 55.73 58.12 1q5x s ARG 130 Cb -0.06 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 1q5x s ARG 130 CO 0.14 -0.67 -0.17 0.14 -0.81 0.00 0.00 175.30 173.92 1q5x s VAL 131 N 2.60 1.48 -0.03 7.11 -7.23 -0.73 -4.96 120.40 118.64 1q5x s VAL 131 Ca 0.70 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1q5x s VAL 131 Cb -0.36 -1.45 0.03 0.00 0.56 0.00 0.00 36.38 35.16 1q5x s VAL 131 CO 0.30 -0.21 0.01 0.21 -0.31 0.00 0.00 175.10 175.10 1q5x s ASN 132 N -2.05 0.42 -0.06 4.85 2.47 -1.26 0.11 114.94 119.41 1q5x s ASN 132 Ca 0.06 -0.02 -0.29 0.00 0.42 0.00 0.00 52.86 53.03 1q5x s ASN 132 Cb -0.09 -0.20 0.11 0.00 -1.45 0.00 0.00 41.25 39.62 1q5x s ASN 132 CO 0.04 -0.11 0.91 0.72 -3.72 0.00 0.00 177.10 174.94 1q5x s PHE 133 N 1.07 -0.37 -1.64 0.43 -0.12 -0.03 -4.94 117.98 112.39 1q5x s PHE 133 Ca -0.09 0.41 -0.01 0.00 -0.05 0.00 0.00 56.93 57.19 1q5x s PHE 133 Cb -0.13 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 1q5x s PHE 133 CO -0.02 -0.48 0.16 0.41 -0.05 0.00 0.00 175.22 175.24 1q5x n GLY 134 N 0.16 -0.45 2.42 1.99 0.00 -1.26 -1.47 105.19 106.58 1q5x n GLY 134 Ca -0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1q5x n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q5x n GLY 135 N -1.15 1.46 3.03 -0.02 0.00 -1.26 -1.44 105.19 105.81 1q5x n GLY 135 Ca -0.20 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 1q5x n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q5x s VAL 136 N -2.51 0.67 -0.15 1.61 1.01 -0.54 -4.94 120.40 115.55 1q5x s VAL 136 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1q5x s VAL 136 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1q5x s VAL 136 CO 0.00 0.06 0.07 0.42 0.00 0.00 0.00 175.10 175.65 1q5x s THR 137 N -0.47 4.89 0.00 3.92 -4.23 -1.26 -0.85 115.64 117.64 1q5x s THR 137 Ca 0.01 -0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1q5x s THR 137 Cb -0.05 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 1q5x s THR 137 CO 0.00 0.53 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.09 1q5x s PHE 138 N -0.22 2.64 -0.01 3.99 0.40 0.30 -4.96 117.98 120.12 1q5x s PHE 138 Ca 0.08 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1q5x s PHE 138 Cb -0.12 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 1q5x s PHE 138 CO 0.01 0.23 -0.10 -0.06 0.70 0.00 0.00 175.22 176.00 1q5x s PHE 139 N -0.85 0.97 0.33 0.36 0.40 -1.26 -1.77 117.98 116.16 1q5x s PHE 139 Ca 0.14 -0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 55.98 1q5x s PHE 139 Cb -0.11 -0.64 -0.12 0.00 0.51 0.00 0.00 43.02 42.67 1q5x s PHE 139 CO 0.04 -0.04 1.44 0.43 0.70 0.00 0.00 175.22 177.79 1q5x n SER 140 N 2.92 3.37 0.00 1.36 7.64 -1.26 -1.45 113.62 126.20 1q5x n SER 140 Ca -0.15 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1q5x n SER 140 Cb 0.56 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1q5x n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q5x n GLY 141 N 1.09 2.76 3.74 0.23 0.00 0.11 -4.97 105.19 108.15 1q5x n GLY 141 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1q5x n GLY 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q5x s ASP 142 N -0.34 4.03 -0.19 1.61 1.01 -0.53 -4.55 116.67 117.71 1q5x s ASP 142 Ca 0.00 1.96 -0.04 0.00 0.71 0.00 0.00 52.55 55.17 1q5x s ASP 142 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 1q5x s ASP 142 CO 0.00 -2.36 -0.02 -1.00 0.21 0.00 0.00 175.17 172.00 1q5x s HIS 143 N -2.79 3.01 0.03 4.23 3.76 -0.59 -0.24 115.29 122.70 1q5x s HIS 143 Ca 0.63 -0.51 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 1q5x s HIS 143 Cb -0.19 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 1q5x s HIS 143 CO 0.56 -0.25 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.94 1q5x s LEU 144 N 0.93 3.07 -0.00 0.89 0.20 -0.63 0.68 118.68 123.82 1q5x s LEU 144 Ca 0.01 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.61 1q5x s LEU 144 Cb -0.14 -1.79 -0.00 0.00 -0.43 0.00 0.00 46.19 43.82 1q5x s LEU 144 CO 0.01 0.26 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.99 1q5x s TYR 145 N -1.03 0.33 -0.03 5.38 1.51 -0.59 -1.47 117.35 121.46 1q5x s TYR 145 Ca 0.18 -0.08 -0.19 0.00 -1.01 0.00 0.00 57.07 55.96 1q5x s TYR 145 Cb -0.11 -0.21 0.04 0.00 -0.11 0.00 0.00 41.96 41.56 1q5x s TYR 145 CO 0.08 -0.01 0.41 0.00 -1.11 0.00 0.00 175.55 174.93 1q5x s ALA 146 N -0.15 -1.06 0.00 3.71 0.00 -0.48 -0.93 121.76 122.85 1q5x s ALA 146 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1q5x s ALA 146 Cb -0.02 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1q5x s ALA 146 CO -0.00 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 1q5x n ASP 147 N 1.22 0.00 0.03 0.00 5.68 -0.49 -1.51 116.55 121.48 1q5x n ASP 147 Ca -0.21 -0.73 0.08 0.00 -0.50 0.00 0.00 54.79 53.43 1q5x n ASP 147 Cb 0.56 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.88 1q5x n ASP 147 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1q5x n ASN 148 N -1.16 0.14 0.02 -1.12 3.02 -1.23 -2.59 115.26 112.34 1q5x n ASN 148 Ca 0.00 0.54 -0.17 0.00 -0.03 0.00 0.00 54.58 54.92 1q5x n ASN 148 Cb 0.00 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 38.46 1q5x n ASN 148 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1q5x h THR 149 N 0.00 0.86 0.00 3.41 2.02 -1.95 -3.51 112.91 113.74 1q5x h THR 149 Ca 0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1q5x h THR 149 Cb 0.26 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1q5x h THR 149 CO 0.00 0.78 0.00 0.61 0.37 0.00 0.00 175.52 177.28 1q5x n GLY 150 N 1.78 -1.17 3.08 2.16 0.00 -1.07 -5.07 105.19 104.91 1q5x n GLY 150 Ca -0.23 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 1q5x n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q5x s ILE 151 N -3.00 1.30 0.12 -0.61 1.01 -1.26 -1.39 121.20 117.36 1q5x s ILE 151 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.11 1q5x s ILE 151 Cb 0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1q5x s ILE 151 CO 0.00 0.39 -0.16 0.27 0.00 0.00 0.00 174.94 175.44 1q5x s ILE 152 N 0.38 1.42 -0.11 2.92 -4.36 -0.10 -1.13 121.20 120.22 1q5x s ILE 152 Ca -0.10 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1q5x s ILE 152 Cb -0.14 -1.52 0.02 0.00 1.25 0.00 0.00 42.46 42.07 1q5x s ILE 152 CO 0.03 -0.33 -0.09 -0.22 0.24 0.00 0.00 174.94 174.57 1q5x s LEU 153 N -2.33 1.33 -0.47 0.37 1.98 0.35 -1.54 118.68 118.37 1q5x s LEU 153 Ca 0.08 -0.32 -0.17 0.00 -2.89 0.00 0.00 54.13 50.83 1q5x s LEU 153 Cb -0.06 -0.87 0.06 0.00 0.66 0.00 0.00 46.19 45.98 1q5x s LEU 153 CO 0.04 -0.08 0.49 -0.55 -1.89 0.00 0.00 176.35 174.36 1q5x s SER 154 N 1.46 6.19 -0.08 3.68 0.15 0.21 -1.01 113.70 124.30 1q5x s SER 154 Ca 0.01 -1.02 -0.29 0.00 0.70 0.00 0.00 55.95 55.34 1q5x s SER 154 Cb -0.13 -2.23 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 1q5x s SER 154 CO -0.06 -0.73 1.89 -1.61 1.20 0.00 0.00 173.24 173.94 1q5x s GLU 155 N 2.13 3.89 0.00 5.44 0.41 -1.26 -1.54 118.70 127.77 1q5x s GLU 155 Ca 0.10 2.24 0.24 0.00 -0.41 0.00 0.00 54.97 57.15 1q5x s GLU 155 Cb -0.21 -4.15 0.28 0.00 -1.78 0.00 0.00 34.13 28.28 1q5x s GLU 155 CO 0.10 -1.22 1.31 -0.25 -0.49 0.00 0.00 175.26 174.71