#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6s s ASN 2 N 0.00 0.30 0.29 6.12 2.20 -1.26 -5.04 114.94 117.55 1i6s s ASN 2 Ca 0.00 -1.17 0.01 0.00 -0.94 0.00 0.00 52.86 50.76 1i6s s ASN 2 Cb 0.00 0.68 0.55 0.00 -2.00 0.00 0.00 41.25 40.48 1i6s s ASN 2 CO 0.00 -1.33 1.86 -0.29 -2.94 0.00 0.00 177.10 174.40 1i6s h ILE 3 N 2.13 0.96 -0.16 0.54 6.09 -1.98 0.52 117.51 125.61 1i6s h ILE 3 Ca -0.28 -0.34 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 1i6s h ILE 3 Cb 1.25 -0.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 1i6s h ILE 3 CO 0.37 0.18 0.01 -0.26 -3.07 0.00 0.00 178.15 175.39 1i6s h PHE 4 N 1.00 0.30 -0.45 2.19 -1.00 -1.99 -1.13 116.94 115.86 1i6s h PHE 4 Ca 0.47 -0.05 -0.10 0.00 2.81 0.00 0.00 57.97 61.11 1i6s h PHE 4 Cb 0.42 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1i6s h PHE 4 CO -0.00 0.48 -0.11 0.93 -1.61 0.00 0.00 178.31 178.00 1i6s h GLU 5 N 0.04 0.82 -0.01 1.51 5.08 -1.89 -0.13 114.58 120.00 1i6s h GLU 5 Ca 0.05 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1i6s h GLU 5 Cb 0.35 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1i6s h GLU 5 CO 0.01 0.89 0.01 1.98 -1.00 0.00 0.00 179.01 180.89 1i6s h MET 6 N 0.74 0.01 0.00 2.33 4.05 -0.76 -1.44 114.93 119.85 1i6s h MET 6 Ca 0.12 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 1i6s h MET 6 Cb 0.60 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1i6s h MET 6 CO 0.04 0.03 -0.55 -0.07 0.23 0.00 0.00 176.91 176.60 1i6s h LEU 7 N -0.01 0.00 -1.46 3.39 3.38 -1.10 -1.35 115.31 118.15 1i6s h LEU 7 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1i6s h LEU 7 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1i6s h LEU 7 CO -0.00 0.55 -0.07 -0.09 0.09 0.00 0.00 178.44 178.91 1i6s h ARG 8 N 0.00 0.26 -0.16 1.13 9.65 -0.74 0.13 114.38 124.65 1i6s h ARG 8 Ca -0.01 -0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 1i6s h ARG 8 Cb 1.01 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1i6s h ARG 8 CO 0.07 0.35 -0.42 0.82 2.80 0.00 0.00 179.97 183.59 1i6s h ILE 9 N 0.25 1.35 -0.04 1.20 2.04 -0.52 -2.32 117.51 119.48 1i6s h ILE 9 Ca 0.05 -1.68 -0.14 0.00 1.00 0.00 0.00 64.86 64.09 1i6s h ILE 9 Cb 0.30 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1i6s h ILE 9 CO 0.01 0.51 -0.62 0.44 0.00 0.00 0.00 178.15 178.50 1i6s h ASP 10 N 0.20 0.15 0.05 1.72 3.32 -0.71 -3.35 116.42 117.80 1i6s h ASP 10 Ca -0.01 -0.09 -0.31 0.00 0.02 0.00 0.00 57.03 56.65 1i6s h ASP 10 Cb 1.03 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.48 1i6s h ASP 10 CO 0.09 0.73 -2.27 -0.62 -1.72 0.00 0.00 179.24 175.45 1i6s n GLU 11 N -3.84 0.68 0.00 3.56 -0.58 0.40 -5.07 120.64 115.80 1i6s n GLU 11 Ca -0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1i6s n GLU 11 Cb 0.62 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 1i6s n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i6s n GLY 12 N 1.66 -2.21 2.76 0.62 0.00 -0.87 -4.56 105.19 102.59 1i6s n GLY 12 Ca -0.27 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 1i6s n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i6s s LEU 13 N 0.00 0.54 -0.05 0.99 2.96 -1.26 -4.29 118.68 117.58 1i6s s LEU 13 Ca 0.00 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1i6s s LEU 13 Cb 0.00 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.31 1i6s s LEU 13 CO 0.00 -0.20 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.63 1i6s s ARG 14 N 1.97 1.11 0.00 1.98 0.52 -0.38 -4.98 118.95 119.17 1i6s s ARG 14 Ca 0.05 -0.22 0.24 0.00 -0.52 0.00 0.00 55.73 55.28 1i6s s ARG 14 Cb -0.12 -1.01 0.36 0.00 0.52 0.00 0.00 34.95 34.70 1i6s s ARG 14 CO -0.05 -0.02 1.31 1.28 0.02 0.00 0.00 175.30 177.84 1i6s n LEU 15 N 3.87 1.10 -4.37 2.53 4.77 -1.26 0.79 117.00 124.44 1i6s n LEU 15 Ca -0.24 -0.34 -0.30 0.00 -0.03 0.00 0.00 56.01 55.10 1i6s n LEU 15 Cb 0.51 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 1i6s n LEU 15 CO 0.24 0.22 -0.56 -0.75 -1.33 0.00 0.00 177.39 175.22 1i6s s LYS 16 N -2.71 1.79 0.42 3.23 2.47 -1.26 -1.37 119.74 122.32 1i6s s LYS 16 Ca 0.17 -1.12 -0.23 0.00 -1.56 0.00 0.00 55.97 53.23 1i6s s LYS 16 Cb 0.18 -2.00 -0.11 0.00 -1.46 0.00 0.00 37.83 34.44 1i6s s LYS 16 CO 0.64 0.51 0.78 -0.89 0.16 0.00 0.00 175.35 176.55 1i6s n ILE 17 N 1.64 2.19 -3.92 5.43 5.41 -0.82 -4.72 119.36 124.58 1i6s n ILE 17 Ca -0.17 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 62.99 1i6s n ILE 17 Cb 0.52 -0.84 -0.05 0.00 -0.71 0.00 0.00 39.64 38.56 1i6s n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1i6s s TYR 18 N -1.37 0.22 -0.16 1.39 -0.85 0.70 -4.97 117.35 112.30 1i6s s TYR 18 Ca 0.64 -0.58 -0.08 0.00 -0.52 0.00 0.00 57.07 56.52 1i6s s TYR 18 Cb -0.58 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 41.92 1i6s s TYR 18 CO 0.57 -0.92 0.12 0.15 -1.52 0.00 0.00 175.55 173.95 1i6s s LYS 19 N -3.97 3.83 0.43 -3.49 1.02 -1.26 0.04 119.74 116.36 1i6s s LYS 19 Ca 0.17 -0.20 -0.07 0.00 0.02 0.00 0.00 55.97 55.89 1i6s s LYS 19 Cb -0.00 -3.29 0.10 0.00 -0.52 0.00 0.00 37.83 34.12 1i6s s LYS 19 CO 0.04 0.50 0.57 -0.40 -0.92 0.00 0.00 175.35 175.14 1i6s n ASP 20 N 2.86 -0.08 0.33 2.83 5.75 0.23 -4.78 116.55 123.70 1i6s n ASP 20 Ca -0.18 -1.17 0.22 0.00 -0.01 0.00 0.00 54.79 53.65 1i6s n ASP 20 Cb 0.53 -0.44 1.18 0.00 -1.03 0.00 0.00 41.12 41.36 1i6s n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i6s h THR 21 N -1.40 0.05 -0.02 2.12 1.03 -1.98 0.12 112.91 112.84 1i6s h THR 21 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.21 1i6s h THR 21 Cb 0.52 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.58 1i6s h THR 21 CO 0.13 0.00 -0.12 -0.62 -0.01 0.00 0.00 175.52 174.90 1i6s n GLU 22 N -3.14 1.75 -1.05 0.00 -0.58 -1.26 -4.95 120.64 111.41 1i6s n GLU 22 Ca -0.03 -1.31 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1i6s n GLU 22 Cb 0.09 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1i6s n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i6s n GLY 23 N 1.31 0.52 3.89 0.62 0.00 0.43 -5.06 105.19 106.91 1i6s n GLY 23 Ca 0.14 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1i6s n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6s s TYR 24 N -2.00 3.55 -0.01 1.61 2.02 -1.26 -4.64 117.35 116.63 1i6s s TYR 24 Ca 0.00 0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 56.94 1i6s s TYR 24 Cb 0.00 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.52 1i6s s TYR 24 CO 0.00 0.56 1.60 0.71 -1.57 0.00 0.00 175.55 176.86 1i6s s TYR 25 N -1.41 2.27 0.18 2.71 2.02 -1.12 0.78 117.35 122.78 1i6s s TYR 25 Ca 0.32 0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 57.36 1i6s s TYR 25 Cb -0.13 -3.88 -0.04 0.00 -0.40 0.00 0.00 41.96 37.51 1i6s s TYR 25 CO 0.20 -3.57 0.09 0.99 -1.57 0.00 0.00 175.55 171.68 1i6s s THR 26 N 3.33 0.12 0.21 -0.71 2.01 0.11 0.15 115.64 120.87 1i6s s THR 26 Ca 0.72 -1.96 -0.18 0.00 0.31 0.00 0.00 61.69 60.57 1i6s s THR 26 Cb -0.35 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1i6s s THR 26 CO 0.30 -0.21 0.57 -0.51 -0.69 0.00 0.00 174.62 174.08 1i6s s ILE 27 N -4.05 0.01 0.00 1.82 2.07 -0.65 -0.22 121.20 120.19 1i6s s ILE 27 Ca 0.32 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1i6s s ILE 27 Cb 0.07 -1.66 0.00 0.00 0.13 0.00 0.00 42.46 41.00 1i6s s ILE 27 CO 0.08 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1i6s n GLY 28 N -0.38 2.90 2.93 1.50 0.00 0.24 -1.70 105.19 110.68 1i6s n GLY 28 Ca -0.09 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1i6s n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i6s n ILE 29 N 0.00 4.26 -1.91 -0.61 5.41 -1.26 -1.25 119.36 124.00 1i6s n ILE 29 Ca 0.00 -5.60 -0.09 0.00 1.00 0.00 0.00 62.75 58.06 1i6s n ILE 29 Cb 0.00 -2.18 -0.01 0.00 -0.71 0.00 0.00 39.64 36.73 1i6s n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1i6s n GLY 30 N 1.51 0.31 3.47 7.39 0.00 -1.24 -4.90 105.19 111.73 1i6s n GLY 30 Ca 0.26 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1i6s n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i6s s HIS 31 N -2.43 2.84 0.12 1.61 5.04 -0.69 -4.94 115.29 116.83 1i6s s HIS 31 Ca 0.00 -0.35 -0.31 0.00 -1.54 0.00 0.00 55.06 52.86 1i6s s HIS 31 Cb 0.00 -4.00 -0.09 0.00 0.04 0.00 0.00 32.58 28.54 1i6s s HIS 31 CO 0.00 -1.35 1.48 -1.17 -2.34 0.00 0.00 174.74 171.36 1i6s s LEU 32 N 3.57 4.37 -0.22 8.88 2.96 -1.26 -1.63 118.68 135.35 1i6s s LEU 32 Ca 0.23 2.43 -0.16 0.00 -0.22 0.00 0.00 54.13 56.41 1i6s s LEU 32 Cb -0.16 -3.58 -0.18 0.00 0.50 0.00 0.00 46.19 42.76 1i6s s LEU 32 CO 0.14 -0.74 0.06 0.18 -1.32 0.00 0.00 176.35 174.67 1i6s n LEU 33 N 4.24 2.08 -3.53 -0.68 4.77 0.12 -4.95 117.00 119.05 1i6s n LEU 33 Ca 0.13 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1i6s n LEU 33 Cb 0.41 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 1i6s n LEU 33 CO 0.60 0.49 0.61 0.28 -1.33 0.00 0.00 177.39 178.04 1i6s s THR 34 N -2.44 0.00 -1.99 -5.08 -1.32 -1.13 -4.92 115.64 98.75 1i6s s THR 34 Ca -0.31 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.42 1i6s s THR 34 Cb 0.09 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.29 1i6s s THR 34 CO 0.59 0.00 1.43 0.29 -2.21 0.00 0.00 174.62 174.72 1i6s n LYS 35 N 0.47 1.12 -2.51 7.08 5.02 -1.26 -2.80 118.16 125.29 1i6s n LYS 35 Ca -0.13 -0.77 -0.36 0.00 -2.02 0.00 0.00 58.31 55.02 1i6s n LYS 35 Cb 0.59 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1i6s n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1i6s s SER 36 N -2.41 6.67 0.00 4.39 0.15 -1.26 -4.92 113.70 116.32 1i6s s SER 36 Ca 0.24 2.07 0.30 0.00 0.70 0.00 0.00 55.95 59.26 1i6s s SER 36 Cb 0.19 -2.59 1.69 0.00 -1.71 0.00 0.00 66.02 63.61 1i6s s SER 36 CO 0.50 -0.55 2.09 -2.65 1.20 0.00 0.00 173.24 173.83 1i6s n PRO 37 N -0.15 0.76 -3.04 5.44 -0.02 -1.26 -4.72 135.00 132.02 1i6s n PRO 37 Ca 0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 1i6s n PRO 37 Cb 0.49 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.42 1i6s n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i6s s SER 38 N -2.20 6.78 0.42 2.55 0.15 -1.26 -4.90 113.70 115.25 1i6s s SER 38 Ca 0.39 0.96 0.20 0.00 0.70 0.00 0.00 55.95 58.20 1i6s s SER 38 Cb 0.20 -2.39 0.94 0.00 -1.71 0.00 0.00 66.02 63.07 1i6s s SER 38 CO 0.38 -0.31 1.87 0.25 1.20 0.00 0.00 173.24 176.63 1i6s h LEU 39 N 8.20 0.00 -0.10 3.45 5.85 -1.99 -1.67 115.31 129.05 1i6s h LEU 39 Ca -0.31 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.27 1i6s h LEU 39 Cb 1.14 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.18 1i6s h LEU 39 CO 0.79 0.28 -0.49 0.78 -0.34 0.00 0.00 178.44 179.47 1i6s h ASN 40 N 0.00 0.60 -0.81 1.25 2.35 -1.97 0.04 115.58 117.04 1i6s h ASN 40 Ca -0.00 -0.64 0.11 0.00 -0.55 0.00 0.00 56.30 55.22 1i6s h ASN 40 Cb 0.65 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.76 1i6s h ASN 40 CO 0.04 1.15 0.44 0.00 -1.65 0.00 0.00 177.43 177.40 1i6s h ALA 41 N 0.47 1.17 -0.33 -0.83 0.00 -1.87 0.69 119.26 118.55 1i6s h ALA 41 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1i6s h ALA 41 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1i6s h ALA 41 CO 0.10 0.01 -0.30 0.00 0.00 0.00 0.00 179.25 179.06 1i6s h ALA 42 N 1.48 0.49 -0.44 0.00 0.00 -1.11 -1.99 119.26 117.69 1i6s h ALA 42 Ca 0.41 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1i6s h ALA 42 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1i6s h ALA 42 CO -0.29 0.52 0.19 0.87 0.00 0.00 0.00 179.25 180.54 1i6s h LYS 43 N 0.57 0.62 -0.01 0.00 1.57 -0.18 0.62 116.57 119.76 1i6s h LYS 43 Ca 0.06 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i6s h LYS 43 Cb 0.88 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1i6s h LYS 43 CO 0.08 0.50 -0.01 1.03 -0.57 0.00 0.00 179.45 180.48 1i6s h SER 44 N 0.62 0.02 -0.86 0.86 0.87 -0.77 -0.67 113.55 113.63 1i6s h SER 44 Ca 0.15 -0.43 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1i6s h SER 44 Cb 0.10 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 1i6s h SER 44 CO -0.02 0.44 0.55 -0.33 -0.53 0.00 0.00 176.83 176.94 1i6s h GLU 45 N -0.40 1.01 -0.21 2.24 4.39 -1.00 -0.97 114.58 119.64 1i6s h GLU 45 Ca 0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1i6s h GLU 45 Cb 0.43 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1i6s h GLU 45 CO 0.00 0.67 0.12 1.25 -1.16 0.00 0.00 179.01 179.89 1i6s h LEU 46 N 1.04 0.27 -1.18 1.33 5.85 0.56 -1.34 115.31 121.83 1i6s h LEU 46 Ca 0.36 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1i6s h LEU 46 Cb 0.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1i6s h LEU 46 CO -0.14 0.27 0.20 0.44 -0.34 0.00 0.00 178.44 178.87 1i6s h ASP 47 N 0.24 0.71 0.18 1.25 3.32 -0.53 -1.62 116.42 119.97 1i6s h ASP 47 Ca 0.08 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1i6s h ASP 47 Cb 0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1i6s h ASP 47 CO -0.01 0.65 -0.47 0.50 -1.72 0.00 0.00 179.24 178.18 1i6s h LYS 48 N 0.77 0.35 -0.13 3.56 3.64 -1.01 0.16 116.57 123.90 1i6s h LYS 48 Ca 0.18 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1i6s h LYS 48 Cb 0.17 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1i6s h LYS 48 CO -0.02 0.75 -0.66 0.00 -2.27 0.00 0.00 179.45 177.25 1i6s h ALA 49 N 1.22 0.59 0.00 5.00 0.00 -0.47 -3.29 119.26 122.31 1i6s h ALA 49 Ca 0.02 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1i6s h ALA 49 Cb 0.94 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1i6s h ALA 49 CO 0.08 0.72 -1.40 0.82 0.00 0.00 0.00 179.25 179.47 1i6s h ILE 50 N 0.38 0.55 -0.11 0.00 1.08 -1.33 -3.49 117.51 114.59 1i6s h ILE 50 Ca -0.02 -2.07 0.00 0.00 -0.39 0.00 0.00 64.86 62.38 1i6s h ILE 50 Cb 1.23 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 1i6s h ILE 50 CO 0.12 0.31 0.00 0.61 -0.69 0.00 0.00 178.15 178.51 1i6s n GLY 51 N 1.40 0.59 3.78 5.37 0.00 0.53 -5.05 105.19 111.81 1i6s n GLY 51 Ca -0.10 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 1i6s n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i6s s ARG 52 N -3.79 1.52 -0.65 1.61 1.70 -0.92 -5.04 118.95 113.38 1i6s s ARG 52 Ca 0.00 -0.82 -0.26 0.00 -0.47 0.00 0.00 55.73 54.18 1i6s s ARG 52 Cb 0.00 0.53 0.04 0.00 -0.57 0.00 0.00 34.95 34.95 1i6s s ARG 52 CO 0.00 -0.69 1.15 1.21 -1.08 0.00 0.00 175.30 175.88 1i6s s ASN 53 N -2.90 6.27 -0.04 -2.89 2.47 -1.26 -4.39 114.94 112.20 1i6s s ASN 53 Ca 0.11 -0.37 0.05 0.00 0.42 0.00 0.00 52.86 53.06 1i6s s ASN 53 Cb -0.04 -2.51 -0.25 0.00 -1.45 0.00 0.00 41.25 37.00 1i6s s ASN 53 CO 0.03 -1.57 0.68 0.71 -3.72 0.00 0.00 177.10 173.23 1i6s h THR 54 N 6.05 0.92 -2.08 -5.21 1.35 -1.91 -3.49 112.91 108.56 1i6s h THR 54 Ca -0.27 -2.69 -0.21 0.00 -0.55 0.00 0.00 66.41 62.69 1i6s h THR 54 Cb 1.06 2.54 0.01 0.00 -1.73 0.00 0.00 68.15 70.03 1i6s h THR 54 CO 1.21 0.68 -0.29 -3.20 -0.25 0.00 0.00 175.52 173.67 1i6s n ASN 55 N -3.25 -3.70 0.00 5.36 5.15 -1.26 -3.03 115.26 114.53 1i6s n ASN 55 Ca -0.19 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1i6s n ASN 55 Cb 1.04 -2.75 0.00 0.00 -0.53 0.00 0.00 39.78 37.55 1i6s n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i6s n GLY 56 N -1.08 0.92 3.20 8.20 0.00 -1.26 -5.03 105.19 110.14 1i6s n GLY 56 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1i6s n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6s s VAL 57 N -3.66 1.36 0.17 1.61 1.01 -1.17 -1.95 120.40 117.77 1i6s s VAL 57 Ca 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 61.98 60.80 1i6s s VAL 57 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1i6s s VAL 57 CO 0.00 0.02 0.08 0.27 0.00 0.00 0.00 175.10 175.47 1i6s s ILE 58 N -0.94 0.20 0.56 2.22 -4.36 -0.47 -4.76 121.20 113.66 1i6s s ILE 58 Ca 0.03 -1.96 -0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1i6s s ILE 58 Cb -0.09 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.36 1i6s s ILE 58 CO 0.02 -0.26 0.83 0.42 0.24 0.00 0.00 174.94 176.20 1i6s s THR 59 N -4.00 3.40 0.24 8.37 -4.23 -1.26 -4.79 115.64 113.38 1i6s s THR 59 Ca 0.31 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1i6s s THR 59 Cb 0.07 -3.32 0.22 0.00 1.34 0.00 0.00 72.50 70.80 1i6s s THR 59 CO 0.07 -0.29 1.84 0.50 -0.54 0.00 0.00 174.62 176.20 1i6s h LYS 60 N -0.04 0.90 -0.71 3.99 3.64 -1.99 -1.31 116.57 121.05 1i6s h LYS 60 Ca -0.45 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1i6s h LYS 60 Cb 1.27 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1i6s h LYS 60 CO 0.58 0.59 0.34 -0.44 -2.27 0.00 0.00 179.45 178.26 1i6s h ASP 61 N 0.92 0.93 -0.51 4.20 5.19 -1.98 -0.61 116.42 124.56 1i6s h ASP 61 Ca 0.38 -0.13 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 1i6s h ASP 61 Cb 0.23 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1i6s h ASP 61 CO -0.19 0.80 -0.00 -0.33 -3.12 0.00 0.00 179.24 176.40 1i6s h GLU 62 N 0.99 0.90 -0.92 3.56 5.08 -1.79 -0.98 114.58 121.42 1i6s h GLU 62 Ca 0.24 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1i6s h GLU 62 Cb 0.12 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1i6s h GLU 62 CO -0.03 0.93 0.59 0.00 -1.00 0.00 0.00 179.01 179.50 1i6s h ALA 63 N 0.94 1.21 -0.14 3.43 0.00 -0.97 -1.71 119.26 122.02 1i6s h ALA 63 Ca 0.14 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1i6s h ALA 63 Cb 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i6s h ALA 63 CO 0.03 0.46 -0.52 0.93 0.00 0.00 0.00 179.25 180.14 1i6s h GLU 64 N 1.15 0.38 -0.27 0.00 5.08 -0.82 -1.90 114.58 118.20 1i6s h GLU 64 Ca 0.36 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1i6s h GLU 64 Cb 0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1i6s h GLU 64 CO -0.12 0.82 0.07 -0.22 -1.00 0.00 0.00 179.01 178.56 1i6s h LYS 65 N 0.30 0.43 -0.91 2.33 3.64 -0.66 -1.66 116.57 120.05 1i6s h LYS 65 Ca 0.01 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1i6s h LYS 65 Cb 1.02 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 1i6s h LYS 65 CO 0.09 0.51 0.60 -0.07 -2.27 0.00 0.00 179.45 178.31 1i6s h LEU 66 N 0.27 1.01 -0.26 5.20 3.38 -1.24 -2.06 115.31 121.61 1i6s h LEU 66 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i6s h LEU 66 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1i6s h LEU 66 CO -0.00 0.71 0.16 0.15 0.09 0.00 0.00 178.44 179.55 1i6s h PHE 67 N 1.19 0.34 -0.51 1.13 3.57 -1.00 0.39 116.94 122.06 1i6s h PHE 67 Ca 0.35 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.86 1i6s h PHE 67 Cb -0.07 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1i6s h PHE 67 CO -0.01 0.25 0.32 -0.91 -2.23 0.00 0.00 178.31 175.73 1i6s h ASN 68 N 0.33 0.54 -0.54 0.41 2.35 -1.09 0.15 115.58 117.73 1i6s h ASN 68 Ca 0.09 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1i6s h ASN 68 Cb 0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1i6s h ASN 68 CO -0.02 0.39 0.31 1.56 -1.65 0.00 0.00 177.43 178.02 1i6s h GLN 69 N 0.65 0.59 -0.59 0.81 4.20 -1.10 0.77 115.11 120.45 1i6s h GLN 69 Ca 0.19 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1i6s h GLN 69 Cb -0.04 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1i6s h GLN 69 CO -0.06 0.39 0.01 -0.44 -0.67 0.00 0.00 178.83 178.06 1i6s h ASP 70 N 0.61 0.98 -0.32 1.46 3.32 -0.25 -0.57 116.42 121.66 1i6s h ASP 70 Ca 0.23 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1i6s h ASP 70 Cb 0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1i6s h ASP 70 CO -0.12 1.03 -0.11 0.58 -1.72 0.00 0.00 179.24 178.90 1i6s h VAL 71 N 0.93 1.29 -0.65 -1.35 2.07 -0.37 -2.20 116.25 115.97 1i6s h VAL 71 Ca 0.17 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1i6s h VAL 71 Cb 0.53 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1i6s h VAL 71 CO 0.03 0.38 0.41 -0.78 0.02 0.00 0.00 177.57 177.63 1i6s h ASP 72 N 0.41 0.69 -0.72 0.57 3.58 -0.70 -2.02 116.42 118.23 1i6s h ASP 72 Ca 0.08 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1i6s h ASP 72 Cb 0.62 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 1i6s h ASP 72 CO 0.04 0.49 0.41 0.00 -2.88 0.00 0.00 179.24 177.29 1i6s h ALA 73 N 1.26 1.33 -0.51 -0.78 0.00 -0.99 -1.12 119.26 118.46 1i6s h ALA 73 Ca 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1i6s h ALA 73 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1i6s h ALA 73 CO -0.08 0.55 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1i6s h ALA 74 N 1.42 0.67 -0.04 0.00 0.00 -0.73 0.31 119.26 120.89 1i6s h ALA 74 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i6s h ALA 74 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1i6s h ALA 74 CO -0.04 0.37 0.02 0.28 0.00 0.00 0.00 179.25 179.88 1i6s h VAL 75 N 0.70 1.09 -0.79 0.00 2.07 -1.15 -1.57 116.25 116.60 1i6s h VAL 75 Ca 0.16 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1i6s h VAL 75 Cb 0.35 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1i6s h VAL 75 CO 0.00 0.07 0.43 0.03 0.02 0.00 0.00 177.57 178.13 1i6s h ARG 76 N -0.05 1.11 -0.32 1.57 3.08 -1.06 -1.05 114.38 117.66 1i6s h ARG 76 Ca 0.01 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1i6s h ARG 76 Cb 0.10 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1i6s h ARG 76 CO -0.00 0.81 0.09 0.78 -1.07 0.00 0.00 179.97 180.58 1i6s h GLY 77 N 1.14 0.38 0.90 0.04 0.00 -0.12 -1.16 103.07 104.25 1i6s h GLY 77 Ca 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.57 1i6s h GLY 77 CO -0.04 0.01 -0.01 -2.22 0.00 0.00 0.00 176.54 174.28 1i6s h ILE 78 N 0.22 0.95 -0.07 2.60 2.04 -0.79 -1.67 117.51 120.79 1i6s h ILE 78 Ca 0.14 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1i6s h ILE 78 Cb 0.13 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1i6s h ILE 78 CO -0.17 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 177.89 1i6s h LEU 79 N 0.01 0.09 -0.83 1.44 3.38 -0.85 -1.16 115.31 117.39 1i6s h LEU 79 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i6s h LEU 79 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1i6s h LEU 79 CO -0.05 0.14 -0.18 0.54 0.09 0.00 0.00 178.44 178.98 1i6s n ARG 80 N -4.44 1.28 -3.39 1.13 1.74 -0.47 -4.76 116.66 107.76 1i6s n ARG 80 Ca -0.02 -0.83 -0.38 0.00 -0.77 0.00 0.00 57.85 55.85 1i6s n ARG 80 Cb 0.15 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.03 1i6s n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1i6s s ASN 81 N -2.29 6.42 0.42 0.55 3.84 -0.46 -4.94 114.94 118.48 1i6s s ASN 81 Ca 0.28 0.50 0.11 0.00 0.21 0.00 0.00 52.86 53.97 1i6s s ASN 81 Cb 0.20 -2.23 0.91 0.00 -0.55 0.00 0.00 41.25 39.58 1i6s s ASN 81 CO 0.45 -0.09 1.98 0.00 -2.79 0.00 0.00 177.10 176.65 1i6s h ALA 82 N 7.44 1.64 0.00 1.71 0.00 -1.89 0.17 119.26 128.33 1i6s h ALA 82 Ca -0.36 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.16 1i6s h ALA 82 Cb 1.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1i6s h ALA 82 CO 0.71 0.27 -1.33 0.87 0.00 0.00 0.00 179.25 179.77 1i6s h LYS 83 N 0.17 0.00 0.17 0.00 6.56 -1.92 -3.39 116.57 118.15 1i6s h LYS 83 Ca 0.04 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.33 1i6s h LYS 83 Cb 0.27 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1i6s h LYS 83 CO 0.01 0.68 -1.42 -0.07 -2.06 0.00 0.00 179.45 176.59 1i6s h LEU 84 N 0.00 0.55 -0.70 2.94 3.38 -1.71 -3.39 115.31 116.38 1i6s h LEU 84 Ca -0.15 -0.91 0.15 0.00 0.09 0.00 0.00 57.88 57.06 1i6s h LEU 84 Cb 1.85 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 42.29 1i6s h LEU 84 CO 0.10 1.65 -0.05 0.50 0.09 0.00 0.00 178.44 180.72 1i6s h LYS 85 N -0.11 0.07 -0.13 1.13 3.64 -0.46 -1.08 116.57 119.63 1i6s h LYS 85 Ca -0.28 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 1i6s h LYS 85 Cb 1.92 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.71 1i6s h LYS 85 CO 0.15 0.05 -0.25 -1.00 -2.27 0.00 0.00 179.45 176.13 1i6s h PRO 86 N 0.07 0.24 -0.04 1.90 0.14 -1.79 0.55 132.00 133.07 1i6s h PRO 86 Ca 0.37 -0.08 -0.02 0.00 0.14 0.00 0.00 66.00 66.41 1i6s h PRO 86 Cb 0.61 -0.02 -0.00 0.00 0.14 0.00 0.00 31.00 31.73 1i6s h PRO 86 CO -0.65 0.48 -0.05 0.28 0.14 0.00 0.00 178.00 178.20 1i6s h VAL 87 N 0.21 1.39 -0.58 1.56 2.07 -1.43 -2.60 116.25 116.87 1i6s h VAL 87 Ca 0.03 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.40 1i6s h VAL 87 Cb 0.56 2.14 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 1i6s h VAL 87 CO 0.04 0.34 0.21 0.22 0.02 0.00 0.00 177.57 178.39 1i6s h TYR 88 N -0.37 0.36 -0.02 1.57 3.20 -1.04 -1.37 116.97 119.29 1i6s h TYR 88 Ca 0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1i6s h TYR 88 Cb 0.57 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1i6s h TYR 88 CO 0.10 0.09 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.08 1i6s h ASP 89 N 0.38 0.03 1.39 -2.11 3.32 -0.86 -2.42 116.42 116.15 1i6s h ASP 89 Ca 0.29 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1i6s h ASP 89 Cb 0.36 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1i6s h ASP 89 CO -0.30 0.22 0.00 -1.54 -1.72 0.00 0.00 179.24 175.90 1i6s n SER 90 N -4.30 0.70 -4.94 6.45 3.41 -0.54 -4.90 113.62 109.50 1i6s n SER 90 Ca -0.02 0.57 -0.24 0.00 -0.26 0.00 0.00 58.87 58.91 1i6s n SER 90 Cb 0.26 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1i6s n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i6s s LEU 91 N -4.32 3.72 0.89 1.04 1.43 -0.91 -5.08 118.68 115.45 1i6s s LEU 91 Ca 0.11 0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 1i6s s LEU 91 Cb 0.13 -3.35 0.13 0.00 0.03 0.00 0.00 46.19 43.13 1i6s s LEU 91 CO 0.58 -0.59 1.16 1.51 0.23 0.00 0.00 176.35 179.24 1i6s s ASP 92 N -4.15 3.72 0.32 2.29 -4.77 -1.26 -4.79 116.67 108.02 1i6s s ASP 92 Ca 0.46 0.86 0.00 0.00 -3.30 0.00 0.00 52.55 50.57 1i6s s ASP 92 Cb -0.10 -1.37 0.52 0.00 -1.09 0.00 0.00 42.92 40.88 1i6s s ASP 92 CO 0.39 -2.41 1.96 0.00 0.70 0.00 0.00 175.17 175.81 1i6s h ALA 93 N -1.40 1.43 -0.15 2.11 0.00 -1.97 -1.17 119.26 118.11 1i6s h ALA 93 Ca -0.49 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1i6s h ALA 93 Cb 1.33 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1i6s h ALA 93 CO 0.61 0.49 -0.11 0.28 0.00 0.00 0.00 179.25 180.52 1i6s h VAL 94 N 0.94 1.33 -0.03 0.00 2.07 -1.94 -2.97 116.25 115.64 1i6s h VAL 94 Ca 0.24 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 1i6s h VAL 94 Cb -0.03 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1i6s h VAL 94 CO -0.05 0.36 -0.35 0.03 0.02 0.00 0.00 177.57 177.58 1i6s h ARG 95 N -0.01 0.07 -0.92 1.57 3.08 -1.81 -2.25 114.38 114.10 1i6s h ARG 95 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1i6s h ARG 95 Cb 0.61 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1i6s h ARG 95 CO 0.03 0.41 0.55 0.00 -1.07 0.00 0.00 179.97 179.89 1i6s h ARG 96 N 0.06 1.26 -0.76 0.04 3.08 -1.16 -1.55 114.38 115.35 1i6s h ARG 96 Ca 0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1i6s h ARG 96 Cb 0.65 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1i6s h ARG 96 CO 0.05 0.89 0.40 0.00 -1.07 0.00 0.00 179.97 180.23 1i6s h ALA 97 N 1.33 0.98 -0.35 0.04 0.00 -1.25 -0.88 119.26 119.12 1i6s h ALA 97 Ca 0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1i6s h ALA 97 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1i6s h ALA 97 CO -0.06 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.73 1i6s h ALA 98 N 1.21 1.40 -0.15 0.00 0.00 -0.96 -0.35 119.26 120.40 1i6s h ALA 98 Ca 0.27 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1i6s h ALA 98 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1i6s h ALA 98 CO -0.04 0.43 -0.65 1.25 0.00 0.00 0.00 179.25 180.23 1i6s h LEU 99 N 0.52 0.67 -0.50 0.00 5.85 -0.74 -2.15 115.31 118.96 1i6s h LEU 99 Ca 0.11 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1i6s h LEU 99 Cb 0.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1i6s h LEU 99 CO 0.01 1.15 0.22 0.40 -0.34 0.00 0.00 178.44 179.87 1i6s h ILE 100 N 0.42 1.20 -0.92 4.05 2.04 -0.58 -2.00 117.51 121.72 1i6s h ILE 100 Ca -0.02 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1i6s h ILE 100 Cb 1.23 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1i6s h ILE 100 CO 0.12 0.23 0.61 0.00 0.00 0.00 0.00 178.15 179.11 1i6s h ALA 101 N 1.06 1.39 -0.41 1.87 0.00 -0.92 0.22 119.26 122.49 1i6s h ALA 101 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1i6s h ALA 101 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1i6s h ALA 101 CO -0.02 0.53 0.02 0.52 0.00 0.00 0.00 179.25 180.30 1i6s h MET 102 N 1.18 0.70 -0.65 0.00 2.86 -1.05 -1.92 114.93 116.07 1i6s h MET 102 Ca 0.36 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1i6s h MET 102 Cb -0.03 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1i6s h MET 102 CO -0.10 0.78 0.11 0.28 1.06 0.00 0.00 176.91 179.04 1i6s h VAL 103 N 0.54 1.26 -0.46 -2.22 2.07 -0.61 -0.70 116.25 116.12 1i6s h VAL 103 Ca 0.12 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1i6s h VAL 103 Cb 0.45 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1i6s h VAL 103 CO 0.02 0.38 0.29 0.15 0.02 0.00 0.00 177.57 178.43 1i6s h PHE 104 N 0.99 0.55 -0.10 1.57 3.04 -0.50 0.34 116.94 122.83 1i6s h PHE 104 Ca 0.20 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 1i6s h PHE 104 Cb 0.43 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1i6s h PHE 104 CO 0.03 0.34 -0.04 0.37 -2.02 0.00 0.00 178.31 176.99 1i6s h GLN 105 N 0.60 0.21 -0.02 1.11 4.15 -0.98 -3.38 115.11 116.79 1i6s h GLN 105 Ca 0.18 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1i6s h GLN 105 Cb -0.04 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1i6s h GLN 105 CO -0.06 0.54 0.00 0.00 -1.93 0.00 0.00 178.83 177.38 1i6s n MET 106 N -4.74 0.10 0.00 1.69 0.00 -0.30 -5.11 117.12 108.76 1i6s n MET 106 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 57.70 56.76 1i6s n MET 106 Cb 0.25 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.41 1i6s n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i6s n GLY 107 N 0.12 -0.80 0.33 3.17 0.00 0.12 -3.86 105.19 104.27 1i6s n GLY 107 Ca 0.02 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.59 1i6s n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1i6s h GLU 108 N 0.00 1.00 -0.40 1.61 4.81 -1.93 -1.63 114.58 118.05 1i6s h GLU 108 Ca 0.00 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1i6s h GLU 108 Cb 0.00 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1i6s h GLU 108 CO 0.00 0.66 -0.09 1.15 -0.73 0.00 0.00 179.01 180.00 1i6s h THR 109 N 1.03 1.27 -0.09 0.32 2.02 -1.96 -1.06 112.91 114.44 1i6s h THR 109 Ca 0.39 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1i6s h THR 109 Cb 0.16 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1i6s h THR 109 CO -0.17 0.39 0.05 1.23 0.37 0.00 0.00 175.52 177.40 1i6s h GLY 110 N 0.58 0.14 0.96 2.16 0.00 -1.45 -3.07 103.07 102.38 1i6s h GLY 110 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1i6s h GLY 110 CO 0.04 0.06 0.17 -2.08 0.00 0.00 0.00 176.54 174.73 1i6s h VAL 111 N 0.08 1.21 -0.33 4.60 2.07 -1.29 -2.53 116.25 120.06 1i6s h VAL 111 Ca 0.03 -0.67 0.10 0.00 0.82 0.00 0.00 66.70 66.98 1i6s h VAL 111 Cb 0.05 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1i6s h VAL 111 CO -0.01 0.25 0.44 0.00 0.02 0.00 0.00 177.57 178.27 1i6s h ALA 112 N 1.02 1.97 -0.00 1.67 0.00 -1.13 -0.32 119.26 122.47 1i6s h ALA 112 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1i6s h ALA 112 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1i6s h ALA 112 CO -0.01 -0.61 -0.05 0.41 0.00 0.00 0.00 179.25 178.99 1i6s n GLY 113 N -1.44 -0.91 2.29 0.00 0.00 -0.95 -4.03 105.19 100.14 1i6s n GLY 113 Ca 0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1i6s n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i6s n PHE 114 N -0.90 1.01 -0.33 1.61 3.01 -0.13 -4.68 117.46 117.05 1i6s n PHE 114 Ca 0.17 -1.83 0.03 0.00 1.01 0.00 0.00 57.45 56.84 1i6s n PHE 114 Cb 0.24 -1.52 0.10 0.00 -0.01 0.00 0.00 39.48 38.29 1i6s n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1i6s h THR 115 N 2.05 0.08 -0.56 4.37 2.02 -1.81 -0.27 112.91 118.79 1i6s h THR 115 Ca 0.34 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.44 1i6s h THR 115 Cb 1.01 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1i6s h THR 115 CO 0.67 0.00 0.06 0.78 0.37 0.00 0.00 175.52 177.40 1i6s h ASN 116 N -0.01 0.91 -0.50 4.18 2.35 -1.95 -1.78 115.58 118.78 1i6s h ASN 116 Ca 0.42 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1i6s h ASN 116 Cb 0.65 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1i6s h ASN 116 CO -0.94 0.96 0.01 0.28 -1.65 0.00 0.00 177.43 176.09 1i6s h SER 117 N 0.83 0.86 -0.71 5.81 0.02 -1.66 -1.87 113.55 116.83 1i6s h SER 117 Ca 0.17 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1i6s h SER 117 Cb 0.45 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1i6s h SER 117 CO 0.02 0.95 0.44 -0.07 -1.14 0.00 0.00 176.83 177.02 1i6s h LEU 118 N 0.74 0.70 -0.81 5.07 3.38 -0.97 0.20 115.31 123.62 1i6s h LEU 118 Ca 0.14 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1i6s h LEU 118 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1i6s h LEU 118 CO 0.02 0.47 -0.03 -0.09 0.09 0.00 0.00 178.44 178.90 1i6s h ARG 119 N 0.84 0.86 -0.55 1.13 2.43 -1.02 -0.66 114.38 117.41 1i6s h ARG 119 Ca 0.30 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1i6s h ARG 119 Cb 0.07 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1i6s h ARG 119 CO -0.13 0.88 -0.10 0.52 -1.51 0.00 0.00 179.97 179.63 1i6s h MET 120 N 0.79 1.03 -0.32 0.20 2.86 -0.74 -1.03 114.93 117.73 1i6s h MET 120 Ca 0.14 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1i6s h MET 120 Cb 0.52 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1i6s h MET 120 CO 0.03 1.07 0.18 -0.07 1.06 0.00 0.00 176.91 179.18 1i6s h LEU 121 N 0.91 0.39 -1.34 1.22 3.38 -0.33 -1.57 115.31 117.97 1i6s h LEU 121 Ca 0.14 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i6s h LEU 121 Cb 0.67 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1i6s h LEU 121 CO 0.05 0.34 0.39 -0.61 0.09 0.00 0.00 178.44 178.70 1i6s h GLN 122 N 0.40 0.83 -0.00 1.13 4.15 -0.86 -0.95 115.11 119.80 1i6s h GLN 122 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1i6s h GLN 122 Cb 0.04 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1i6s h GLN 122 CO -0.02 0.57 0.00 1.04 -1.93 0.00 0.00 178.83 178.49 1i6s n GLN 123 N -4.42 1.03 -2.50 1.69 6.02 -0.41 -4.89 117.38 113.89 1i6s n GLN 123 Ca 0.06 -0.05 -0.21 0.00 -0.01 0.00 0.00 57.00 56.80 1i6s n GLN 123 Cb 0.06 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 29.95 1i6s n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1i6s n LYS 124 N -0.81 -2.22 -2.93 -1.09 5.02 -0.36 -4.93 118.16 110.84 1i6s n LYS 124 Ca 0.17 0.98 -0.44 0.00 -2.02 0.00 0.00 58.31 57.00 1i6s n LYS 124 Cb 0.09 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.45 1i6s n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i6s n ARG 125 N -3.15 3.73 0.05 1.97 1.74 -0.68 -4.90 116.66 115.42 1i6s n ARG 125 Ca -0.22 -4.10 -0.11 0.00 -0.77 0.00 0.00 57.85 52.65 1i6s n ARG 125 Cb 0.67 -2.76 -0.04 0.00 -1.02 0.00 0.00 32.46 29.31 1i6s n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1i6s h TRP 126 N 6.30 -0.66 -0.57 -1.55 4.06 -1.90 -0.46 115.95 121.16 1i6s h TRP 126 Ca 0.27 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 61.17 1i6s h TRP 126 Cb 0.76 0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 1i6s h TRP 126 CO 1.02 -0.34 0.08 -0.44 -3.56 0.00 0.00 178.44 175.21 1i6s h ASP 127 N -0.38 0.92 -0.29 -3.49 5.19 -1.90 -1.51 116.42 114.95 1i6s h ASP 127 Ca 0.07 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 1i6s h ASP 127 Cb 0.47 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1i6s h ASP 127 CO -0.23 0.95 0.10 -0.33 -3.12 0.00 0.00 179.24 176.60 1i6s h GLU 128 N 0.85 0.45 -0.82 3.56 5.08 -1.95 -1.80 114.58 119.96 1i6s h GLU 128 Ca 0.17 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1i6s h GLU 128 Cb 0.43 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1i6s h GLU 128 CO 0.01 0.50 0.54 0.00 -1.00 0.00 0.00 179.01 179.06 1i6s h ALA 129 N 0.93 1.53 -0.72 3.43 0.00 -0.93 -0.80 119.26 122.70 1i6s h ALA 129 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1i6s h ALA 129 Cb 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1i6s h ALA 129 CO -0.00 0.38 0.43 0.00 0.00 0.00 0.00 179.25 180.05 1i6s h ALA 130 N 1.53 0.92 -0.37 0.00 0.00 -0.75 0.29 119.26 120.89 1i6s h ALA 130 Ca 0.33 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1i6s h ALA 130 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1i6s h ALA 130 CO -0.10 0.40 -0.14 0.28 0.00 0.00 0.00 179.25 179.68 1i6s h VAL 131 N 0.98 1.28 -0.66 0.00 2.07 -0.89 -2.96 116.25 116.08 1i6s h VAL 131 Ca 0.26 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 1i6s h VAL 131 Cb -0.02 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1i6s h VAL 131 CO -0.05 0.41 0.09 -1.13 0.02 0.00 0.00 177.57 176.92 1i6s h ASN 132 N 0.55 1.05 -0.17 0.57 -0.73 -0.65 -2.96 115.58 113.24 1i6s h ASN 132 Ca 0.09 -0.25 -0.03 0.00 1.87 0.00 0.00 56.30 57.97 1i6s h ASN 132 Cb 0.68 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1i6s h ASN 132 CO 0.05 1.04 0.03 -0.07 -0.37 0.00 0.00 177.43 178.11 1i6s h LEU 133 N 1.02 0.34 -1.57 0.34 3.38 -0.35 -2.59 115.31 115.87 1i6s h LEU 133 Ca 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1i6s h LEU 133 Cb 0.45 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1i6s h LEU 133 CO 0.01 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1i6s h ALA 134 N 1.68 1.00 -0.77 1.53 0.00 -1.35 -3.35 119.26 117.99 1i6s h ALA 134 Ca 0.09 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.25 1i6s h ALA 134 Cb 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 1i6s h ALA 134 CO 0.00 0.00 2.23 1.63 0.00 0.00 0.00 179.25 183.11 1i6s n LYS 135 N -2.88 3.80 -3.69 0.00 5.02 -0.98 -4.66 118.16 114.77 1i6s n LYS 135 Ca 0.00 -3.42 -0.11 0.00 -2.02 0.00 0.00 58.31 52.76 1i6s n LYS 135 Cb 0.24 -2.87 -0.06 0.00 -0.02 0.00 0.00 35.03 32.32 1i6s n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1i6s s SER 136 N 0.89 -0.17 0.31 4.39 1.04 -1.26 -4.99 113.70 113.91 1i6s s SER 136 Ca 0.44 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 1i6s s SER 136 Cb 0.12 0.42 0.49 0.00 0.10 0.00 0.00 66.02 67.15 1i6s s SER 136 CO -0.02 -0.76 1.98 -0.09 0.98 0.00 0.00 173.24 175.33 1i6s h ARG 137 N 2.68 1.03 -0.27 4.02 2.43 -1.92 -2.46 114.38 119.90 1i6s h ARG 137 Ca -0.33 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 58.84 1i6s h ARG 137 Cb 1.23 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.48 1i6s h ARG 137 CO 0.48 0.68 -0.17 2.35 -1.51 0.00 0.00 179.97 181.80 1i6s h TRP 138 N 1.06 -0.43 -0.42 2.20 7.01 -1.94 0.29 115.95 123.72 1i6s h TRP 138 Ca 0.29 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.27 1i6s h TRP 138 Cb -0.12 0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 1i6s h TRP 138 CO -0.00 -0.25 0.04 -0.92 -2.79 0.00 0.00 178.44 174.53 1i6s h TYR 139 N -0.15 0.77 -0.32 2.65 3.20 -1.77 -1.96 116.97 119.40 1i6s h TYR 139 Ca 0.15 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1i6s h TYR 139 Cb 0.37 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1i6s h TYR 139 CO -0.35 0.76 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.94 1i6s h ASN 140 N 0.57 0.50 0.34 -2.11 4.21 -0.93 -2.27 115.58 115.88 1i6s h ASN 140 Ca 0.13 -0.12 -0.32 0.00 1.21 0.00 0.00 56.30 57.19 1i6s h ASN 140 Cb 0.42 -0.13 0.03 0.00 -1.12 0.00 0.00 38.32 37.52 1i6s h ASN 140 CO 0.01 0.62 -1.43 1.56 -1.29 0.00 0.00 177.43 176.91 1i6s h GLN 141 N 0.49 0.49 -2.24 0.81 1.08 -0.31 -3.39 115.11 112.03 1i6s h GLN 141 Ca 0.10 -0.83 -0.58 0.00 -1.45 0.00 0.00 58.65 55.88 1i6s h GLN 141 Cb 0.44 0.31 -0.40 0.00 -0.05 0.00 0.00 27.48 27.78 1i6s h GLN 141 CO 0.02 1.40 -0.91 0.25 -0.95 0.00 0.00 178.83 178.64 1i6s n THR 142 N -3.68 0.08 -0.22 -0.54 -2.24 -0.75 -4.99 114.28 101.94 1i6s n THR 142 Ca -0.15 -4.22 -0.08 0.00 -2.27 0.00 0.00 64.05 57.33 1i6s n THR 142 Cb 1.09 -1.94 0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1i6s n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1i6s h PRO 143 N 4.56 0.95 -0.39 -0.78 0.13 -1.61 -1.36 132.00 133.49 1i6s h PRO 143 Ca 0.15 -0.20 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1i6s h PRO 143 Cb 0.83 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1i6s h PRO 143 CO 0.55 0.84 0.12 -0.91 -0.23 0.00 0.00 178.00 178.36 1i6s h ASN 144 N 0.88 0.58 -0.20 1.44 2.35 -1.94 0.92 115.58 119.60 1i6s h ASN 144 Ca 0.20 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1i6s h ASN 144 Cb 0.28 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1i6s h ASN 144 CO -0.01 0.64 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.32 1i6s h ARG 145 N 0.49 0.36 -0.61 0.81 2.43 -1.97 -2.50 114.38 113.39 1i6s h ARG 145 Ca 0.13 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1i6s h ARG 145 Cb 0.27 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1i6s h ARG 145 CO -0.00 0.56 0.39 0.00 -1.51 0.00 0.00 179.97 179.41 1i6s h ALA 146 N 0.79 0.79 -0.96 2.80 0.00 -1.10 -1.45 119.26 120.12 1i6s h ALA 146 Ca 0.06 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1i6s h ALA 146 Cb 0.40 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1i6s h ALA 146 CO 0.01 0.17 0.62 0.87 0.00 0.00 0.00 179.25 180.92 1i6s h LYS 147 N 0.79 1.05 -0.47 0.00 1.57 -0.74 0.14 116.57 118.91 1i6s h LYS 147 Ca 0.24 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1i6s h LYS 147 Cb -0.04 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 1i6s h LYS 147 CO -0.07 0.69 0.19 0.00 -0.57 0.00 0.00 179.45 179.69 1i6s h ARG 148 N 1.08 0.70 -0.47 3.15 3.08 -0.83 -0.67 114.38 120.42 1i6s h ARG 148 Ca 0.42 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.28 1i6s h ARG 148 Cb 0.24 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1i6s h ARG 148 CO -0.17 0.63 0.02 0.28 -1.07 0.00 0.00 179.97 179.66 1i6s h VAL 149 N 0.62 1.26 -0.74 2.04 2.07 -0.64 -2.62 116.25 118.23 1i6s h VAL 149 Ca 0.16 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1i6s h VAL 149 Cb 0.19 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1i6s h VAL 149 CO -0.01 0.36 0.41 0.40 0.02 0.00 0.00 177.57 178.75 1i6s h ILE 150 N 0.67 1.22 -0.36 4.57 2.04 -0.89 -1.55 117.51 123.21 1i6s h ILE 150 Ca 0.14 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1i6s h ILE 150 Cb 0.47 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1i6s h ILE 150 CO 0.02 0.24 -0.01 0.74 0.00 0.00 0.00 178.15 179.14 1i6s h THR 151 N 1.02 1.21 -0.35 -0.27 2.02 -1.08 -0.05 112.91 115.39 1i6s h THR 151 Ca 0.26 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1i6s h THR 151 Cb 0.02 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1i6s h THR 151 CO -0.04 0.29 0.12 0.74 0.37 0.00 0.00 175.52 177.00 1i6s h THR 152 N 0.54 1.20 -0.59 3.16 2.02 -1.02 -0.35 112.91 117.86 1i6s h THR 152 Ca 0.11 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1i6s h THR 152 Cb 0.36 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1i6s h THR 152 CO 0.01 0.22 0.02 -0.26 0.37 0.00 0.00 175.52 175.88 1i6s h PHE 153 N 0.42 1.09 -0.37 3.16 0.04 -0.82 0.39 116.94 120.84 1i6s h PHE 153 Ca 0.11 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1i6s h PHE 153 Cb 0.22 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1i6s h PHE 153 CO 0.00 0.96 0.02 -0.09 -0.60 0.00 0.00 178.31 178.61 1i6s h ARG 154 N 0.93 0.64 0.00 1.51 2.43 -0.75 -3.34 114.38 115.80 1i6s h ARG 154 Ca 0.17 -0.19 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1i6s h ARG 154 Cb 0.51 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1i6s h ARG 154 CO 0.02 0.73 -2.07 0.25 -1.51 0.00 0.00 179.97 177.40 1i6s n THR 155 N -4.51 0.72 -1.16 0.20 -2.24 -0.17 -4.79 114.28 102.34 1i6s n THR 155 Ca -0.01 -0.67 -0.05 0.00 -2.27 0.00 0.00 64.05 61.04 1i6s n THR 155 Cb 0.26 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1i6s n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i6s n GLY 156 N 1.48 0.79 3.50 3.38 0.00 0.12 -5.02 105.19 109.43 1i6s n GLY 156 Ca -0.16 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1i6s n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i6s s THR 157 N -2.15 1.21 -0.99 2.61 -4.23 -1.26 -4.76 115.64 106.08 1i6s s THR 157 Ca 0.00 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 1i6s s THR 157 Cb 0.00 -2.73 0.60 0.00 1.34 0.00 0.00 72.50 71.71 1i6s s THR 157 CO 0.00 0.00 1.46 0.79 -0.54 0.00 0.00 174.62 176.33 1i6s n TRP 158 N -0.79 1.33 -0.27 3.99 7.02 -1.26 -4.54 117.44 122.91 1i6s n TRP 158 Ca -0.04 -0.50 0.23 0.00 -1.02 0.00 0.00 57.50 56.17 1i6s n TRP 158 Cb 0.66 -0.27 0.56 0.00 -2.42 0.00 0.00 31.31 29.84 1i6s n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1i6s h ASP 159 N 3.23 0.34 0.82 -0.99 3.32 -1.96 0.39 116.42 121.55 1i6s h ASP 159 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1i6s h ASP 159 Cb 1.34 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1i6s h ASP 159 CO 0.25 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.87 1i6s h ALA 160 N 1.59 1.00 -0.58 3.45 0.00 -1.89 -2.23 119.26 120.60 1i6s h ALA 160 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1i6s h ALA 160 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1i6s h ALA 160 CO -0.19 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.72 1i6s n TYR 161 N -2.72 0.77 0.26 0.00 4.02 0.13 -4.99 117.16 114.63 1i6s n TYR 161 Ca 0.01 -0.48 0.03 0.00 -0.01 0.00 0.00 57.90 57.45 1i6s n TYR 161 Cb 0.25 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.59 1i6s n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48