#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4q h ASN 4 N 0.00 0.00 -0.41 7.72 -1.24 -1.97 -3.16 115.58 116.51 3i4q h ASN 4 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3i4q h ASN 4 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3i4q h ASN 4 CO 0.00 0.04 0.00 0.35 -1.29 0.00 0.00 177.43 176.53 3i4q n THR 5 N -4.16 0.66 -2.64 -3.57 -2.24 -1.26 -4.88 114.28 96.18 3i4q n THR 5 Ca -0.03 -0.83 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 3i4q n THR 5 Cb 0.13 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 3i4q n THR 5 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i4q s ILE 6 N -1.22 4.48 0.66 2.28 1.01 -1.20 -5.03 121.20 122.19 3i4q s ILE 6 Ca 0.35 1.91 -0.15 0.00 0.00 0.00 0.00 60.65 62.76 3i4q s ILE 6 Cb 0.20 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3i4q s ILE 6 CO 0.27 0.22 1.10 -2.16 0.00 0.00 0.00 174.94 174.37 3i4q s PRO 7 N 0.51 2.81 0.38 2.79 0.04 -1.26 -4.69 135.00 135.58 3i4q s PRO 7 Ca 0.51 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.97 3i4q s PRO 7 Cb -0.24 -1.96 0.75 0.00 0.04 0.00 0.00 34.50 33.09 3i4q s PRO 7 CO 0.30 -1.23 1.96 0.00 0.04 0.00 0.00 177.00 178.06 3i4q h ALA 8 N -0.03 1.54 0.00 8.56 0.00 -1.90 -3.42 119.26 124.02 3i4q h ALA 8 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3i4q h ALA 8 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i4q h ALA 8 CO 0.54 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3i4q n GLY 9 N -1.11 1.55 0.24 0.00 0.00 -1.26 -0.77 105.19 103.84 3i4q n GLY 9 Ca 0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 3i4q n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4q h LYS 10 N 0.00 0.48 -0.96 1.61 1.57 -1.82 -3.42 116.57 114.03 3i4q h LYS 10 Ca 0.00 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 3i4q h LYS 10 Cb 0.00 -0.04 -0.17 0.00 0.08 0.00 0.00 32.23 32.10 3i4q h LYS 10 CO 0.00 0.66 -0.45 0.34 -0.57 0.00 0.00 179.45 179.42 3i4q s ASP 11 N -6.80 -1.43 0.63 0.86 -1.08 -0.84 -5.05 116.67 102.96 3i4q s ASP 11 Ca -0.07 -1.24 -0.18 0.00 -0.52 0.00 0.00 52.55 50.54 3i4q s ASP 11 Cb 0.14 1.86 -0.02 0.00 -1.46 0.00 0.00 42.92 43.44 3i4q s ASP 11 CO 0.78 -0.10 1.22 -0.76 0.52 0.00 0.00 175.17 176.83 3i4q s LEU 12 N 1.33 3.57 0.00 -1.34 1.43 -1.24 -1.35 118.68 121.08 3i4q s LEU 12 Ca 0.23 2.40 0.26 0.00 -1.03 0.00 0.00 54.13 56.00 3i4q s LEU 12 Cb -0.01 -4.60 0.73 0.00 0.03 0.00 0.00 46.19 42.34 3i4q s LEU 12 CO -0.06 -1.79 1.55 -0.81 0.23 0.00 0.00 176.35 175.47 3i4q n PRO 13 N -1.89 1.39 0.02 1.29 -0.04 -1.26 -4.84 135.00 129.67 3i4q n PRO 13 Ca 0.14 -0.91 0.11 0.00 -0.04 0.00 0.00 63.50 62.80 3i4q n PRO 13 Cb 0.50 -1.48 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 3i4q n PRO 13 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3i4q n ASN 14 N -0.01 0.63 -3.78 3.54 5.15 -1.14 -4.63 115.26 115.02 3i4q n ASN 14 Ca 0.15 -0.26 -0.30 0.00 -0.60 0.00 0.00 54.58 53.57 3i4q n ASN 14 Cb 0.39 0.64 -0.15 0.00 -0.53 0.00 0.00 39.78 40.13 3i4q n ASN 14 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i4q s ASP 15 N -3.67 4.08 0.36 1.20 -1.08 -0.46 -4.37 116.67 112.73 3i4q s ASP 15 Ca 0.06 -1.91 0.08 0.00 -0.52 0.00 0.00 52.55 50.26 3i4q s ASP 15 Cb 0.15 -1.02 -0.07 0.00 -1.46 0.00 0.00 42.92 40.52 3i4q s ASP 15 CO 0.78 -0.38 -0.05 0.27 0.52 0.00 0.00 175.17 176.31 3i4q s ILE 16 N 1.26 2.04 -0.13 4.11 -4.36 -0.50 -1.99 121.20 121.63 3i4q s ILE 16 Ca 0.11 -2.12 -0.01 0.00 -0.26 0.00 0.00 60.65 58.38 3i4q s ILE 16 Cb -0.19 -2.75 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 3i4q s ILE 16 CO -0.18 -0.13 -0.11 -0.31 0.24 0.00 0.00 174.94 174.45 3i4q s TYR 17 N -2.72 2.85 -0.19 1.37 2.02 0.05 -0.54 117.35 120.18 3i4q s TYR 17 Ca 0.33 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3i4q s TYR 17 Cb 0.05 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 3i4q s TYR 17 CO 0.16 -0.17 -0.06 0.08 -1.57 0.00 0.00 175.55 174.00 3i4q s VAL 18 N 0.33 3.45 -0.28 0.71 1.01 0.57 -4.40 120.40 121.79 3i4q s VAL 18 Ca -0.10 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 3i4q s VAL 18 Cb -0.16 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3i4q s VAL 18 CO 0.05 0.46 0.73 0.00 0.00 0.00 0.00 175.10 176.34 3i4q s ALA 19 N 1.01 3.58 0.00 5.51 0.00 -0.12 -0.73 121.76 131.00 3i4q s ALA 19 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 51.96 51.32 3i4q s ALA 19 Cb -0.15 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3i4q s ALA 19 CO 0.00 -1.03 0.71 0.42 0.00 0.00 0.00 175.76 175.87 3i4q s ILE 20 N 2.77 4.86 -0.22 0.00 -1.09 0.08 -1.67 121.20 125.93 3i4q s ILE 20 Ca 0.30 1.50 -0.00 0.00 -2.23 0.00 0.00 60.65 60.22 3i4q s ILE 20 Cb -0.15 -4.06 -0.14 0.00 -1.58 0.00 0.00 42.46 36.54 3i4q s ILE 20 CO 0.10 0.34 -0.21 -0.62 -1.23 0.00 0.00 174.94 173.32 3i4q n GLU 21 N 3.09 0.55 -3.94 2.79 1.02 0.61 0.33 120.64 125.09 3i4q n GLU 21 Ca -0.03 0.14 -0.26 0.00 -0.02 0.00 0.00 57.16 57.00 3i4q n GLU 21 Cb 0.51 -1.43 -0.17 0.00 -0.02 0.00 0.00 31.44 30.33 3i4q n GLU 21 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i4q s ILE 22 N -2.44 0.90 0.67 -3.67 1.01 -0.59 -4.46 121.20 112.62 3i4q s ILE 22 Ca -0.30 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 3i4q s ILE 22 Cb 0.08 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.62 3i4q s ILE 22 CO 0.50 0.34 1.12 -2.84 0.00 0.00 0.00 174.94 174.06 3i4q s PRO 23 N 1.66 2.69 0.57 2.79 0.02 -1.26 -0.23 135.00 141.23 3i4q s PRO 23 Ca 0.03 1.41 -0.21 0.00 0.02 0.00 0.00 61.00 62.26 3i4q s PRO 23 Cb -0.13 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3i4q s PRO 23 CO -0.07 -1.34 1.34 0.00 -0.33 0.00 0.00 177.00 176.60 3i4q n ALA 24 N -2.53 1.48 -3.17 -1.55 0.00 -1.26 -3.67 120.51 109.82 3i4q n ALA 24 Ca 0.11 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 3i4q n ALA 24 Cb 0.52 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.65 3i4q n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i4q n ASN 25 N -1.20 -5.73 -4.97 0.00 3.02 -0.50 -4.72 115.26 101.16 3i4q n ASN 25 Ca 0.12 -0.35 -0.20 0.00 -0.03 0.00 0.00 54.58 54.12 3i4q n ASN 25 Cb 0.45 -4.63 0.01 0.00 -0.61 0.00 0.00 39.78 35.01 3i4q n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4q s ALA 26 N -3.16 4.46 0.80 5.41 0.00 -1.24 -5.03 121.76 123.00 3i4q s ALA 26 Ca 0.36 -1.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 3i4q s ALA 26 Cb -0.17 -1.34 0.08 0.00 0.00 0.00 0.00 23.12 21.69 3i4q s ALA 26 CO 0.45 -0.45 1.16 -1.54 0.00 0.00 0.00 175.76 175.37 3i4q s SER 27 N -4.38 3.84 -0.33 0.00 1.04 -1.26 -4.79 113.70 107.81 3i4q s SER 27 Ca 0.53 2.18 -0.06 0.00 0.48 0.00 0.00 55.95 59.08 3i4q s SER 27 Cb -0.06 -2.57 -0.20 0.00 0.10 0.00 0.00 66.02 63.30 3i4q s SER 27 CO 0.32 -2.49 3.07 -0.81 0.98 0.00 0.00 173.24 174.31 3i4q n PRO 28 N -3.40 2.07 -3.61 4.02 -0.04 -1.26 -4.80 135.00 127.97 3i4q n PRO 28 Ca 0.12 -1.12 -0.39 0.00 -0.04 0.00 0.00 63.50 62.07 3i4q n PRO 28 Cb 0.51 -2.11 -0.11 0.00 -0.04 0.00 0.00 33.50 31.75 3i4q n PRO 28 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i4q s ILE 29 N 1.59 4.99 -0.89 0.52 1.01 -1.26 -4.47 121.20 122.68 3i4q s ILE 29 Ca 0.58 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 3i4q s ILE 29 Cb 0.25 -3.48 0.14 0.00 0.01 0.00 0.00 42.46 39.38 3i4q s ILE 29 CO -0.01 0.13 1.05 -0.75 0.00 0.00 0.00 174.94 175.35 3i4q s LYS 30 N 1.69 3.57 0.54 2.79 2.20 0.65 -4.93 119.74 126.25 3i4q s LYS 30 Ca 0.06 -1.84 -0.18 0.00 -0.36 0.00 0.00 55.97 53.65 3i4q s LYS 30 Cb -0.17 -4.79 -0.06 0.00 -1.51 0.00 0.00 37.83 31.30 3i4q s LYS 30 CO 0.09 -1.68 1.06 0.71 -0.36 0.00 0.00 175.35 175.16 3i4q s TYR 31 N 2.30 2.93 -0.02 4.03 2.02 -1.26 -0.34 117.35 127.01 3i4q s TYR 31 Ca 0.29 1.55 -0.01 0.00 -0.37 0.00 0.00 57.07 58.53 3i4q s TYR 31 Cb -0.07 -3.08 0.01 0.00 -0.40 0.00 0.00 41.96 38.42 3i4q s TYR 31 CO -0.08 -1.09 0.04 -1.83 -1.57 0.00 0.00 175.55 171.02 3i4q s GLU 32 N -3.59 0.04 -0.21 -0.62 -1.05 0.64 -4.67 118.70 109.24 3i4q s GLU 32 Ca 0.67 0.07 -0.27 0.00 -0.15 0.00 0.00 54.97 55.29 3i4q s GLU 32 Cb -0.18 -0.00 -0.00 0.00 -0.44 0.00 0.00 34.13 33.51 3i4q s GLU 32 CO 0.28 -0.02 0.92 0.42 0.95 0.00 0.00 175.26 177.81 3i4q s ILE 33 N 0.12 4.79 0.00 1.83 1.01 -1.26 -1.05 121.20 126.64 3i4q s ILE 33 Ca -0.01 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.43 3i4q s ILE 33 Cb -0.01 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3i4q s ILE 33 CO -0.00 -0.08 0.00 -0.67 0.00 0.00 0.00 174.94 174.19 3i4q n ASP 34 N 5.83 0.00 -3.38 3.58 2.03 -1.26 -4.96 116.55 118.39 3i4q n ASP 34 Ca 0.08 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.00 3i4q n ASP 34 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 3i4q n ASP 34 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3i4q n ASP 38 N -0.68 7.62 -3.89 1.67 8.00 -1.26 -4.88 116.55 123.13 3i4q n ASP 38 Ca 0.00 -3.37 -0.11 0.00 0.71 0.00 0.00 54.79 52.02 3i4q n ASP 38 Cb 0.00 -1.26 -0.10 0.00 -0.02 0.00 0.00 41.12 39.74 3i4q n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4q s ALA 39 N -2.44 -0.23 -0.51 2.24 0.00 -1.26 -4.85 121.76 114.71 3i4q s ALA 39 Ca 0.50 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 3i4q s ALA 39 Cb 0.23 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.54 3i4q s ALA 39 CO -0.14 -0.24 0.94 -1.17 0.00 0.00 0.00 175.76 175.15 3i4q s LEU 40 N -1.60 4.02 -0.02 0.00 2.96 -1.26 -4.37 118.68 118.42 3i4q s LEU 40 Ca -0.12 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3i4q s LEU 40 Cb -0.06 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3i4q s LEU 40 CO -0.00 -1.15 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.04 3i4q s LEU 41 N 3.90 3.10 -0.42 -0.68 1.02 -0.21 -4.94 118.68 120.45 3i4q s LEU 41 Ca 0.34 -0.14 -0.29 0.00 0.02 0.00 0.00 54.13 54.07 3i4q s LEU 41 Cb -0.11 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.37 3i4q s LEU 41 CO 0.23 0.31 1.31 -0.69 0.02 0.00 0.00 176.35 177.53 3i4q s VAL 42 N -0.92 4.04 -0.00 -1.59 1.01 -1.26 -0.26 120.40 121.41 3i4q s VAL 42 Ca 0.15 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 3i4q s VAL 42 Cb -0.11 -4.32 -0.30 0.00 0.00 0.00 0.00 36.38 31.64 3i4q s VAL 42 CO 0.05 -0.79 1.00 -0.78 0.00 0.00 0.00 175.10 174.58 3i4q h ASP 43 N 10.02 0.64 -4.91 3.32 3.58 -0.99 -3.48 116.42 124.61 3i4q h ASP 43 Ca -0.26 -0.88 0.01 0.00 0.42 0.00 0.00 57.03 56.32 3i4q h ASP 43 Cb 1.09 -0.20 -0.13 0.00 1.72 0.00 0.00 39.33 41.81 3i4q h ASP 43 CO 1.09 1.47 0.28 0.00 -2.88 0.00 0.00 179.24 179.20 3i4q s ARG 44 N -2.72 1.17 0.00 0.28 1.70 -1.07 -5.04 118.95 113.27 3i4q s ARG 44 Ca -0.12 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 3i4q s ARG 44 Cb 0.03 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 3i4q s ARG 44 CO 0.87 -0.51 0.00 1.19 -1.08 0.00 0.00 175.30 175.77 3i4q n PHE 45 N -0.32 0.00 0.00 5.89 3.01 -1.26 -0.25 117.46 124.52 3i4q n PHE 45 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 3i4q n PHE 45 Cb 0.64 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 3i4q n PHE 45 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i4q n ALA 47 N -3.00 1.59 -2.10 4.37 0.00 -1.26 -4.96 120.51 115.15 3i4q n ALA 47 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3i4q n ALA 47 Cb 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 3i4q n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i4q s THR 48 N -1.46 4.61 -0.85 0.00 -4.23 -1.26 -4.93 115.64 107.50 3i4q s THR 48 Ca 0.00 1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 61.42 3i4q s THR 48 Cb 0.00 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.18 3i4q s THR 48 CO 0.00 -0.01 1.23 -2.16 -0.54 0.00 0.00 174.62 173.14 3i4q s PRO 49 N -2.52 3.39 0.09 3.99 0.04 -1.26 -5.03 135.00 133.69 3i4q s PRO 49 Ca 0.49 -0.98 -0.23 0.00 0.04 0.00 0.00 61.00 60.33 3i4q s PRO 49 Cb -0.13 -4.73 0.06 0.00 0.04 0.00 0.00 34.50 29.74 3i4q s PRO 49 CO 0.19 -2.02 0.56 -0.59 0.04 0.00 0.00 177.00 175.18 3i4q s PHE 51 N 4.48 -0.47 -0.02 0.56 -0.12 -1.26 -5.19 117.98 115.96 3i4q s PHE 51 Ca 0.35 0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 57.36 3i4q s PHE 51 Cb -0.07 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 3i4q s PHE 51 CO 0.01 -0.72 1.28 0.71 -0.05 0.00 0.00 175.22 176.45 3i4q s TYR 52 N -2.94 3.08 0.28 3.49 1.51 -1.26 -4.87 117.35 116.64 3i4q s TYR 52 Ca -0.03 1.06 0.37 0.00 -1.01 0.00 0.00 57.07 57.47 3i4q s TYR 52 Cb -0.00 -3.52 1.73 0.00 -0.11 0.00 0.00 41.96 40.05 3i4q s TYR 52 CO -0.06 -1.78 2.11 -1.35 -1.11 0.00 0.00 175.55 173.37 3i4q h PRO 53 N 7.53 0.00 -4.14 -1.71 0.11 -1.93 -1.33 132.00 130.52 3i4q h PRO 53 Ca -0.36 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.62 3i4q h PRO 53 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 3i4q h PRO 53 CO 0.88 0.00 -0.55 0.00 -0.21 0.00 0.00 178.00 178.13 3i4q s ALA 54 N -3.82 0.37 0.54 -0.75 0.00 -1.26 -4.77 121.76 112.06 3i4q s ALA 54 Ca -0.01 -1.11 -0.22 0.00 0.00 0.00 0.00 51.96 50.63 3i4q s ALA 54 Cb 0.10 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 3i4q s ALA 54 CO 0.49 -0.48 1.34 0.09 0.00 0.00 0.00 175.76 177.20 3i4q n ASN 55 N -0.04 2.64 -4.10 0.00 3.02 -0.88 -4.08 115.26 111.83 3i4q n ASN 55 Ca -0.11 0.99 -0.27 0.00 -0.03 0.00 0.00 54.58 55.16 3i4q n ASN 55 Cb 0.62 -1.57 -0.17 0.00 -0.61 0.00 0.00 39.78 38.06 3i4q n ASN 55 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i4q s TYR 56 N -1.29 1.81 0.00 3.10 5.04 0.68 -0.61 117.35 126.07 3i4q s TYR 56 Ca 0.71 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 3i4q s TYR 56 Cb -0.42 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 40.62 3i4q s TYR 56 CO 0.50 -0.30 0.00 0.41 -1.34 0.00 0.00 175.55 174.82 3i4q n GLY 57 N 3.62 2.84 3.46 8.97 0.00 0.13 -0.29 105.19 123.93 3i4q n GLY 57 Ca -0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 3i4q n GLY 57 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i4q s TYR 58 N -0.74 0.08 -0.24 1.61 1.13 -0.67 -0.63 117.35 117.89 3i4q s TYR 58 Ca 0.00 -0.43 -0.12 0.00 -1.41 0.00 0.00 57.07 55.10 3i4q s TYR 58 Cb 0.00 0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 41.04 3i4q s TYR 58 CO 0.00 -0.85 0.25 0.42 -2.51 0.00 0.00 175.55 172.86 3i4q s ILE 59 N -3.91 5.29 0.72 -3.49 1.01 -0.65 -0.94 121.20 119.22 3i4q s ILE 59 Ca 0.12 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 61.00 3i4q s ILE 59 Cb 0.00 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.92 3i4q s ILE 59 CO -0.01 0.28 1.11 0.21 0.00 0.00 0.00 174.94 176.53 3i4q s ASN 60 N 1.27 4.69 -1.46 3.58 2.47 -1.26 -3.47 114.94 120.75 3i4q s ASN 60 Ca 0.11 1.96 -0.07 0.00 0.42 0.00 0.00 52.86 55.27 3i4q s ASN 60 Cb -0.15 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.13 3i4q s ASN 60 CO 0.07 -1.91 0.91 0.59 -3.72 0.00 0.00 177.10 173.03 3i4q n ASN 61 N -2.99 -6.14 -4.23 -4.21 5.03 -1.26 -3.77 115.26 97.69 3i4q n ASN 61 Ca 0.10 -0.44 -0.17 0.00 0.87 0.00 0.00 54.58 54.94 3i4q n ASN 61 Cb 0.52 -4.90 -0.11 0.00 -1.02 0.00 0.00 39.78 34.28 3i4q n ASN 61 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3i4q s THR 62 N -3.25 1.23 -0.18 3.41 -4.23 -1.23 -4.54 115.64 106.86 3i4q s THR 62 Ca 0.46 -1.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3i4q s THR 62 Cb -0.21 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 72.18 3i4q s THR 62 CO 0.57 -0.47 0.03 -0.22 -0.54 0.00 0.00 174.62 173.99 3i4q s LEU 63 N -2.50 1.09 0.67 4.79 2.96 0.38 -3.89 118.68 122.18 3i4q s LEU 63 Ca 0.09 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 3i4q s LEU 63 Cb -0.04 -0.57 -0.00 0.00 0.50 0.00 0.00 46.19 46.08 3i4q s LEU 63 CO 0.02 -0.29 1.06 0.00 -1.32 0.00 0.00 176.35 175.82 3i4q s ALA 64 N 1.88 2.68 -1.17 5.97 0.00 0.25 -4.42 121.76 126.95 3i4q s ALA 64 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3i4q s ALA 64 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3i4q s ALA 64 CO -0.08 -1.12 0.78 -0.25 0.00 0.00 0.00 175.76 175.09 3i4q n ASP 65 N -2.79 0.00 -1.02 0.00 8.00 -1.26 -1.33 116.55 118.15 3i4q n ASP 65 Ca 0.08 0.30 0.10 0.00 0.71 0.00 0.00 54.79 55.98 3i4q n ASP 65 Cb 0.53 -0.30 0.21 0.00 -0.02 0.00 0.00 41.12 41.54 3i4q n ASP 65 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3i4q n ASP 66 N -1.28 3.30 0.00 -2.24 5.68 -1.26 -5.02 116.55 115.73 3i4q n ASP 66 Ca 0.00 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3i4q n ASP 66 Cb 0.04 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 3i4q n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i4q n GLY 67 N 1.24 2.87 3.79 6.12 0.00 -0.44 -5.05 105.19 113.72 3i4q n GLY 67 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3i4q n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i4q s ASP 68 N -1.22 4.34 0.82 1.61 1.01 -1.26 -4.86 116.67 117.10 3i4q s ASP 68 Ca 0.00 -1.37 -0.13 0.00 0.71 0.00 0.00 52.55 51.76 3i4q s ASP 68 Cb 0.00 0.19 0.09 0.00 1.01 0.00 0.00 42.92 44.21 3i4q s ASP 68 CO 0.00 -0.83 1.19 0.00 0.21 0.00 0.00 175.17 175.74 3i4q s ALA 69 N -2.77 1.80 0.16 5.23 0.00 -1.25 -0.58 121.76 124.36 3i4q s ALA 69 Ca 0.25 0.77 -0.32 0.00 0.00 0.00 0.00 51.96 52.66 3i4q s ALA 69 Cb 0.02 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 3i4q s ALA 69 CO 0.14 -2.33 1.68 -1.17 0.00 0.00 0.00 175.76 174.08 3i4q s LEU 70 N -5.85 4.37 0.16 0.00 2.96 -1.26 -4.58 118.68 114.49 3i4q s LEU 70 Ca 0.71 2.72 -0.25 0.00 -0.22 0.00 0.00 54.13 57.09 3i4q s LEU 70 Cb -0.27 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.75 3i4q s LEU 70 CO 0.52 -0.92 0.77 -1.81 -1.32 0.00 0.00 176.35 173.59 3i4q s ASP 71 N 1.55 7.38 -0.05 3.68 1.01 -1.26 -1.64 116.67 127.34 3i4q s ASP 71 Ca 0.74 1.64 -0.03 0.00 0.71 0.00 0.00 52.55 55.60 3i4q s ASP 71 Cb -0.46 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.00 3i4q s ASP 71 CO 0.32 0.21 0.12 -0.69 0.21 0.00 0.00 175.17 175.35 3i4q s VAL 72 N -1.15 -0.02 -0.13 -1.27 1.01 0.19 -1.39 120.40 117.64 3i4q s VAL 72 Ca 0.35 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3i4q s VAL 72 Cb -0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 3i4q s VAL 72 CO 0.26 0.04 0.20 -0.76 0.00 0.00 0.00 175.10 174.84 3i4q s LEU 73 N 0.58 4.33 -0.15 3.92 2.01 0.24 -0.69 118.68 128.92 3i4q s LEU 73 Ca -0.04 0.48 0.01 0.00 0.01 0.00 0.00 54.13 54.59 3i4q s LEU 73 Cb -0.06 -2.20 0.02 0.00 0.01 0.00 0.00 46.19 43.96 3i4q s LEU 73 CO -0.03 0.28 -0.17 -0.69 1.01 0.00 0.00 176.35 176.75 3i4q s VAL 74 N -0.39 1.78 0.04 -1.59 1.01 0.21 -0.53 120.40 120.94 3i4q s VAL 74 Ca 0.15 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3i4q s VAL 74 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3i4q s VAL 74 CO 0.04 0.49 1.05 -0.63 0.00 0.00 0.00 175.10 176.05 3i4q s ILE 75 N 1.29 4.53 0.05 2.22 1.01 -0.54 -2.06 121.20 127.70 3i4q s ILE 75 Ca 0.02 1.86 -0.01 0.00 0.00 0.00 0.00 60.65 62.52 3i4q s ILE 75 Cb -0.13 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3i4q s ILE 75 CO -0.09 0.17 -0.03 0.42 0.00 0.00 0.00 174.94 175.40 3i4q s THR 76 N 0.86 0.24 -0.25 2.92 -4.23 -1.26 -4.02 115.64 109.89 3i4q s THR 76 Ca 0.53 -1.77 0.28 0.00 -1.18 0.00 0.00 61.69 59.55 3i4q s THR 76 Cb -0.24 -1.47 0.33 0.00 1.34 0.00 0.00 72.50 72.46 3i4q s THR 76 CO 0.29 -0.97 1.82 1.55 -0.54 0.00 0.00 174.62 176.77 3i4q h PRO 77 N 3.21 0.00 -3.49 3.99 0.13 -2.03 -3.43 132.00 130.39 3i4q h PRO 77 Ca -0.34 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.56 3i4q h PRO 77 Cb 1.14 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.98 3i4q h PRO 77 CO 0.65 0.00 -0.65 0.71 -0.23 0.00 0.00 178.00 178.48 3i4q s TYR 78 N -3.43 -0.08 0.38 1.56 2.02 -1.26 -5.14 117.35 111.40 3i4q s TYR 78 Ca 0.04 0.24 -0.28 0.00 -0.37 0.00 0.00 57.07 56.70 3i4q s TYR 78 Cb 0.09 -0.04 -0.11 0.00 -0.40 0.00 0.00 41.96 41.49 3i4q s TYR 78 CO 0.54 -0.07 1.39 -2.30 -1.57 0.00 0.00 175.55 173.53 3i4q n PRO 79 N 3.48 2.37 -3.20 -1.71 -0.02 -1.26 -5.00 135.00 129.67 3i4q n PRO 79 Ca -0.18 0.83 -0.19 0.00 -2.02 0.00 0.00 63.50 61.94 3i4q n PRO 79 Cb 0.56 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3i4q n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i4q s VAL 80 N -1.12 3.68 0.40 -1.45 -7.23 -1.26 -4.97 120.40 108.45 3i4q s VAL 80 Ca 0.55 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 59.60 3i4q s VAL 80 Cb -0.51 -3.29 -0.08 0.00 0.56 0.00 0.00 36.38 33.06 3i4q s VAL 80 CO 0.62 -0.14 1.12 0.00 -0.31 0.00 0.00 175.10 176.40 3i4q s ALA 81 N -2.34 3.11 0.34 1.32 0.00 -1.26 -4.35 121.76 118.58 3i4q s ALA 81 Ca 0.49 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3i4q s ALA 81 Cb -0.10 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 3i4q s ALA 81 CO 0.33 -0.42 1.49 -2.30 0.00 0.00 0.00 175.76 174.86 3i4q n PRO 82 N -0.02 2.56 -0.24 0.00 -0.02 -1.26 -1.89 135.00 134.13 3i4q n PRO 82 Ca 0.05 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3i4q n PRO 82 Cb 0.48 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3i4q n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i4q n GLY 83 N 1.12 1.12 3.91 -1.23 0.00 0.15 -5.01 105.19 105.26 3i4q n GLY 83 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3i4q n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4q s SER 84 N -2.99 5.68 -0.10 1.61 1.04 -0.79 -4.78 113.70 113.36 3i4q s SER 84 Ca 0.00 0.81 0.04 0.00 0.48 0.00 0.00 55.95 57.28 3i4q s SER 84 Cb 0.00 -1.82 -0.00 0.00 0.10 0.00 0.00 66.02 64.29 3i4q s SER 84 CO 0.00 -1.03 -0.22 -0.69 0.98 0.00 0.00 173.24 172.28 3i4q s VAL 85 N -3.01 2.23 -0.14 5.02 1.01 -1.26 -0.74 120.40 123.52 3i4q s VAL 85 Ca 0.54 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3i4q s VAL 85 Cb -0.11 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3i4q s VAL 85 CO 0.46 0.56 -0.10 -0.63 0.00 0.00 0.00 175.10 175.38 3i4q s ILE 86 N 0.26 3.28 -0.08 2.22 1.01 0.09 -4.95 121.20 123.03 3i4q s ILE 86 Ca -0.15 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 3i4q s ILE 86 Cb -0.17 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3i4q s ILE 86 CO 0.08 0.52 1.08 -0.60 0.00 0.00 0.00 174.94 176.01 3i4q s ARG 87 N 0.34 4.40 0.22 2.79 3.52 -1.26 -0.31 118.95 128.65 3i4q s ARG 87 Ca -0.09 1.50 -0.03 0.00 -0.13 0.00 0.00 55.73 56.98 3i4q s ARG 87 Cb -0.15 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 3i4q s ARG 87 CO 0.05 -0.35 0.21 0.00 -0.81 0.00 0.00 175.30 174.40 3i4q s ALA 88 N 2.03 0.93 -0.01 6.12 0.00 0.29 -0.73 121.76 130.39 3i4q s ALA 88 Ca 0.51 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3i4q s ALA 88 Cb -0.21 1.33 0.01 0.00 0.00 0.00 0.00 23.12 24.25 3i4q s ALA 88 CO 0.20 -0.65 -0.01 -0.98 0.00 0.00 0.00 175.76 174.32 3i4q s ARG 89 N -4.08 0.20 0.38 0.00 1.70 0.48 -1.41 118.95 116.23 3i4q s ARG 89 Ca 0.36 -0.00 -0.25 0.00 -0.47 0.00 0.00 55.73 55.36 3i4q s ARG 89 Cb 0.05 -0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 34.06 3i4q s ARG 89 CO 0.12 -0.03 1.10 -1.25 -1.08 0.00 0.00 175.30 174.15 3i4q s PRO 90 N 0.41 4.20 0.00 3.89 0.04 -1.26 -1.39 135.00 140.89 3i4q s PRO 90 Ca -0.04 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.67 3i4q s PRO 90 Cb -0.06 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3i4q s PRO 90 CO -0.01 -0.14 0.05 1.33 0.04 0.00 0.00 177.00 178.27 3i4q n VAL 91 N 0.18 0.00 0.00 -0.36 0.24 0.46 -4.88 118.33 113.97 3i4q n VAL 91 Ca 0.04 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3i4q n VAL 91 Cb 0.48 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3i4q n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4q n GLY 92 N 0.61 -0.11 3.16 7.63 0.00 -1.08 -1.01 105.19 114.38 3i4q n GLY 92 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3i4q n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4q s VAL 93 N -2.00 -0.01 -0.31 1.61 0.11 -0.33 -0.71 120.40 118.77 3i4q s VAL 93 Ca 0.00 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 3i4q s VAL 93 Cb 0.00 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3i4q s VAL 93 CO 0.00 0.01 0.20 -0.22 -3.33 0.00 0.00 175.10 171.76 3i4q s LEU 94 N 0.33 4.19 0.34 2.54 2.96 0.18 -0.23 118.68 128.99 3i4q s LEU 94 Ca -0.01 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3i4q s LEU 94 Cb -0.03 -2.10 -0.06 0.00 0.50 0.00 0.00 46.19 44.50 3i4q s LEU 94 CO -0.01 -0.14 0.66 -0.54 -1.32 0.00 0.00 176.35 175.00 3i4q s LYS 95 N 1.72 3.73 0.01 1.98 -0.14 -0.34 -1.22 119.74 125.47 3i4q s LYS 95 Ca 0.06 0.27 -0.12 0.00 -1.36 0.00 0.00 55.97 54.83 3i4q s LYS 95 Cb -0.17 -2.51 0.01 0.00 -1.68 0.00 0.00 37.83 33.48 3i4q s LYS 95 CO 0.10 0.10 0.24 -1.12 -0.76 0.00 0.00 175.35 173.90 3i4q s SER 97 N -3.07 -0.08 0.00 2.83 0.01 0.47 -0.70 113.70 113.16 3i4q s SER 97 Ca 0.48 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.64 3i4q s SER 97 Cb -0.11 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.40 3i4q s SER 97 CO 0.29 -0.46 0.00 -0.90 0.41 0.00 0.00 173.24 172.59 3i4q n ASP 98 N 1.17 0.00 0.15 2.44 5.68 0.37 -0.08 116.55 126.28 3i4q n ASP 98 Ca -0.21 -0.85 0.09 0.00 -0.50 0.00 0.00 54.79 53.32 3i4q n ASP 98 Cb 0.57 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.03 3i4q n ASP 98 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i4q n GLU 99 N 0.00 0.12 -0.03 0.11 0.00 -1.16 -1.70 120.64 117.97 3i4q n GLU 99 Ca 0.00 0.61 0.05 0.00 0.00 0.00 0.00 57.16 57.81 3i4q n GLU 99 Cb 0.00 -1.95 0.06 0.00 0.00 0.00 0.00 31.44 29.55 3i4q n GLU 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i4q n ALA 100 N -1.70 2.41 0.00 -1.84 0.00 -1.26 -5.07 120.51 113.05 3i4q n ALA 100 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3i4q n ALA 100 Cb 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3i4q n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4q n GLY 101 N 0.51 -0.05 3.75 0.00 0.00 -0.69 -5.07 105.19 103.64 3i4q n GLY 101 Ca 0.07 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 3i4q n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i4q s GLY 102 N 0.00 1.96 0.19 -0.02 0.00 -1.26 -0.48 107.32 107.71 3i4q s GLY 102 Ca 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 3i4q s GLY 102 CO 0.00 0.89 0.63 -0.35 0.00 0.00 0.00 173.10 174.27 3i4q s ASP 103 N -2.77 -0.47 0.04 1.64 2.15 -1.26 -4.65 116.67 111.35 3i4q s ASP 103 Ca 0.66 -0.19 -0.08 0.00 0.43 0.00 0.00 52.55 53.37 3i4q s ASP 103 Cb -0.21 0.63 -0.00 0.00 -0.30 0.00 0.00 42.92 43.04 3i4q s ASP 103 CO 0.49 -1.08 0.16 -1.83 -0.17 0.00 0.00 175.17 172.75 3i4q s GLU 104 N -3.80 0.65 -0.21 4.34 1.03 -1.26 -4.62 118.70 114.83 3i4q s GLU 104 Ca 0.04 -0.66 -0.01 0.00 0.03 0.00 0.00 54.97 54.37 3i4q s GLU 104 Cb -0.02 0.26 0.06 0.00 -0.80 0.00 0.00 34.13 33.63 3i4q s GLU 104 CO -0.07 -0.18 -0.01 0.15 -1.33 0.00 0.00 175.26 173.82 3i4q s LYS 105 N -2.52 1.14 0.71 -4.83 -0.14 -0.36 -4.47 119.74 109.27 3i4q s LYS 105 Ca -0.05 -0.68 -0.12 0.00 -1.36 0.00 0.00 55.97 53.75 3i4q s LYS 105 Cb -0.01 -2.32 0.03 0.00 -1.68 0.00 0.00 37.83 33.85 3i4q s LYS 105 CO -0.04 -0.61 1.09 -0.51 -0.76 0.00 0.00 175.35 174.53 3i4q s LEU 106 N 1.64 3.20 -0.05 3.17 1.02 -0.48 -0.65 118.68 126.52 3i4q s LEU 106 Ca -0.03 1.86 0.06 0.00 0.02 0.00 0.00 54.13 56.04 3i4q s LEU 106 Cb -0.18 -4.53 -0.01 0.00 0.02 0.00 0.00 46.19 41.49 3i4q s LEU 106 CO -0.07 -1.77 -0.23 -0.22 0.02 0.00 0.00 176.35 174.07 3i4q s LEU 107 N -5.42 2.04 0.07 1.79 2.96 0.11 -0.59 118.68 119.64 3i4q s LEU 107 Ca 0.63 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3i4q s LEU 107 Cb -0.18 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3i4q s LEU 107 CO 0.50 0.23 0.03 0.00 -1.32 0.00 0.00 176.35 175.78 3i4q s ALA 108 N -0.12 0.38 0.28 5.97 0.00 0.31 -0.41 121.76 128.17 3i4q s ALA 108 Ca -0.04 -1.11 0.12 0.00 0.00 0.00 0.00 51.96 50.93 3i4q s ALA 108 Cb -0.13 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 3i4q s ALA 108 CO 0.03 -0.42 -0.16 0.14 0.00 0.00 0.00 175.76 175.35 3i4q s VAL 109 N -3.92 2.66 0.52 0.00 -7.23 -0.49 -1.47 120.40 110.48 3i4q s VAL 109 Ca 0.08 -2.31 -0.22 0.00 -1.81 0.00 0.00 61.98 57.73 3i4q s VAL 109 Cb 0.07 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 3i4q s VAL 109 CO -0.09 -0.39 1.34 -2.84 -0.31 0.00 0.00 175.10 172.82 3i4q s PRO 110 N -3.52 3.28 0.53 4.82 0.02 -1.26 -0.38 135.00 138.48 3i4q s PRO 110 Ca 0.30 2.20 -0.21 0.00 0.02 0.00 0.00 61.00 63.31 3i4q s PRO 110 Cb -0.05 -2.32 -0.07 0.00 0.02 0.00 0.00 34.50 32.07 3i4q s PRO 110 CO 0.16 -1.07 1.00 1.58 -0.33 0.00 0.00 177.00 178.33 3i4q n HIS 111 N -0.86 1.02 -0.28 6.54 -0.00 0.10 -4.62 115.22 117.10 3i4q n HIS 111 Ca 0.09 0.48 0.28 0.00 0.46 0.00 0.00 57.72 59.02 3i4q n HIS 111 Cb 0.45 -2.19 0.63 0.00 -0.12 0.00 0.00 29.99 28.77 3i4q n HIS 111 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3i4q h GLU 112 N 0.96 0.18 0.00 1.57 4.11 -1.92 0.11 114.58 119.60 3i4q h GLU 112 Ca -0.47 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 3i4q h GLU 112 Cb 1.35 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3i4q h GLU 112 CO 0.53 0.12 -0.06 0.87 0.07 0.00 0.00 179.01 180.55 3i4q h LYS 113 N 0.19 0.00 0.00 1.06 1.79 -1.97 -2.93 116.57 114.71 3i4q h LYS 113 Ca 0.54 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.85 3i4q h LYS 113 Cb 1.75 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.38 3i4q h LYS 113 CO -0.13 0.06 -1.22 -0.07 -1.08 0.00 0.00 179.45 177.00 3i4q h LEU 114 N 0.00 0.00 -7.00 2.94 4.07 -1.12 -3.48 115.31 110.72 3i4q h LEU 114 Ca -0.00 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.07 3i4q h LEU 114 Cb 0.18 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 41.67 3i4q h LEU 114 CO 0.01 0.55 0.62 0.28 -1.08 0.00 0.00 178.44 178.82 3i4q s THR 115 N -2.94 0.00 -2.33 0.22 -1.32 -1.10 -5.01 115.64 103.16 3i4q s THR 115 Ca -0.01 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.75 3i4q s THR 115 Cb 0.08 -1.00 0.64 0.00 -1.51 0.00 0.00 72.50 70.71 3i4q s THR 115 CO 0.80 0.00 1.85 0.00 -2.21 0.00 0.00 174.62 175.06 3i4q n GLN 116 N 1.27 1.47 0.29 7.08 1.13 -1.26 -4.40 117.38 122.95 3i4q n GLN 116 Ca -0.10 -0.68 0.16 0.00 -1.94 0.00 0.00 57.00 54.44 3i4q n GLN 116 Cb 0.57 -1.47 0.85 0.00 0.11 0.00 0.00 30.24 30.30 3i4q n GLN 116 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3i4q h LEU 117 N 1.62 0.00 -3.07 1.08 3.38 -1.95 -2.94 115.31 113.43 3i4q h LEU 117 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i4q h LEU 117 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3i4q h LEU 117 CO 0.00 0.06 -0.08 -1.22 0.09 0.00 0.00 178.44 177.29 3i4q n TYR 118 N -3.44 0.26 0.31 1.13 4.01 -1.26 -4.72 117.16 113.44 3i4q n TYR 118 Ca -0.02 -1.10 0.18 0.00 -0.16 0.00 0.00 57.90 56.80 3i4q n TYR 118 Cb 0.20 -0.22 0.98 0.00 -0.31 0.00 0.00 39.34 39.99 3i4q n TYR 118 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3i4q h ASN 119 N 0.57 0.00 -0.68 7.72 2.35 -1.83 -1.46 115.58 122.25 3i4q h ASN 119 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3i4q h ASN 119 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3i4q h ASN 119 CO 0.07 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.34 3i4q n ASP 120 N -3.51 4.03 -4.30 5.81 8.00 -1.26 -4.82 116.55 120.50 3i4q n ASP 120 Ca -0.03 -2.09 -0.41 0.00 0.71 0.00 0.00 54.79 52.97 3i4q n ASP 120 Cb 0.11 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 3i4q n ASP 120 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i4q s ILE 121 N -1.18 4.49 -0.09 0.53 -1.09 -0.55 -4.87 121.20 118.44 3i4q s ILE 121 Ca 0.47 -1.35 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 3i4q s ILE 121 Cb 0.26 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 37.30 3i4q s ILE 121 CO 0.30 -0.55 -0.02 1.41 -1.23 0.00 0.00 174.94 174.85 3i4q n HIS 122 N 4.99 0.00 -4.06 3.97 8.25 -1.26 -5.03 115.22 122.08 3i4q n HIS 122 Ca -0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 3i4q n HIS 122 Cb 0.43 -0.40 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 3i4q n HIS 122 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3i4q s ASP 123 N -4.44 0.43 0.44 0.41 -1.08 -1.26 -4.77 116.67 106.41 3i4q s ASP 123 Ca -0.08 -1.26 0.13 0.00 -0.52 0.00 0.00 52.55 50.82 3i4q s ASP 123 Cb 0.03 0.61 0.99 0.00 -1.46 0.00 0.00 42.92 43.09 3i4q s ASP 123 CO 0.29 -1.21 2.00 -0.29 0.52 0.00 0.00 175.17 176.49 3i4q h ILE 124 N 2.21 1.12 0.00 4.11 6.09 -1.41 -0.65 117.51 128.98 3i4q h ILE 124 Ca -0.28 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 62.66 3i4q h ILE 124 Cb 1.25 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.76 3i4q h ILE 124 CO 0.39 0.16 0.00 -0.90 -3.07 0.00 0.00 178.15 174.73 3i4q n ASP 125 N -4.35 0.00 0.07 2.19 5.75 -1.26 -2.34 116.55 116.60 3i4q n ASP 125 Ca -0.02 0.12 0.12 0.00 -0.01 0.00 0.00 54.79 55.00 3i4q n ASP 125 Cb 0.22 -0.34 0.08 0.00 -1.03 0.00 0.00 41.12 40.05 3i4q n ASP 125 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3i4q n ASP 126 N -1.34 0.72 -4.74 -1.12 8.00 -0.25 -4.91 116.55 112.90 3i4q n ASP 126 Ca 0.09 0.12 -0.41 0.00 0.71 0.00 0.00 54.79 55.30 3i4q n ASP 126 Cb 0.19 0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.65 3i4q n ASP 126 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i4q s VAL 127 N -3.24 3.71 0.17 2.53 1.01 -0.99 -4.88 120.40 118.72 3i4q s VAL 127 Ca 0.03 1.54 -0.33 0.00 0.00 0.00 0.00 61.98 63.22 3i4q s VAL 127 Cb 0.12 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.37 3i4q s VAL 127 CO 0.76 0.29 1.29 -2.65 0.00 0.00 0.00 175.10 174.80 3i4q n PRO 128 N 2.03 1.45 -0.26 2.72 -0.02 -1.26 -4.87 135.00 134.80 3i4q n PRO 128 Ca 0.02 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 3i4q n PRO 128 Cb 0.46 -2.11 0.06 0.00 -0.02 0.00 0.00 33.50 31.89 3i4q n PRO 128 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3i4q h GLN 129 N 4.05 0.93 -0.78 -0.52 5.75 -1.95 -2.45 115.11 120.14 3i4q h GLN 129 Ca -0.45 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 57.96 3i4q h GLN 129 Cb 1.32 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 3i4q h GLN 129 CO 0.75 0.61 0.34 1.25 -2.65 0.00 0.00 178.83 179.13 3i4q h LEU 130 N 0.96 1.04 -0.50 -2.39 5.85 -1.99 -0.51 115.31 117.76 3i4q h LEU 130 Ca 0.26 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3i4q h LEU 130 Cb -0.10 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 3i4q h LEU 130 CO -0.06 0.90 0.26 0.25 -0.34 0.00 0.00 178.44 179.45 3i4q h LEU 131 N 1.12 0.64 -0.50 2.25 5.85 -1.83 0.11 115.31 122.95 3i4q h LEU 131 Ca 0.26 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3i4q h LEU 131 Cb 0.16 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3i4q h LEU 131 CO -0.03 0.57 0.26 0.11 -0.34 0.00 0.00 178.44 179.02 3i4q h LYS 132 N 0.67 0.50 -0.44 1.25 1.57 -0.99 -0.68 116.57 118.44 3i4q h LYS 132 Ca 0.18 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3i4q h LYS 132 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3i4q h LYS 132 CO -0.03 0.33 0.19 -0.44 -0.57 0.00 0.00 179.45 178.93 3i4q h ASP 133 N 0.52 0.56 -0.28 0.86 3.32 -0.51 -0.35 116.42 120.53 3i4q h ASP 133 Ca 0.22 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3i4q h ASP 133 Cb 0.10 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3i4q h ASP 133 CO -0.14 0.50 -0.47 1.56 -1.72 0.00 0.00 179.24 178.98 3i4q h GLN 134 N 0.62 0.82 -0.47 3.56 4.20 -0.28 -0.38 115.11 123.19 3i4q h GLN 134 Ca 0.15 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 3i4q h GLN 134 Cb 0.11 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3i4q h GLN 134 CO -0.02 1.14 0.27 0.82 -0.67 0.00 0.00 178.83 180.37 3i4q h ILE 135 N 0.59 1.15 -0.09 2.54 2.04 -0.62 0.88 117.51 124.00 3i4q h ILE 135 Ca 0.02 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3i4q h ILE 135 Cb 1.07 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 3i4q h ILE 135 CO 0.11 0.16 -0.09 0.58 0.00 0.00 0.00 178.15 178.91 3i4q h VAL 136 N 0.62 0.74 -0.66 1.67 2.07 -1.00 -1.19 116.25 118.50 3i4q h VAL 136 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 3i4q h VAL 136 Cb 0.02 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3i4q h VAL 136 CO -0.03 0.00 0.41 -0.74 0.02 0.00 0.00 177.57 177.23 3i4q h HIS 137 N -0.12 0.77 0.21 1.57 -0.00 -0.75 0.13 115.15 116.96 3i4q h HIS 137 Ca 0.07 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3i4q h HIS 137 Cb 0.21 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3i4q h HIS 137 CO -0.20 0.44 -0.16 0.35 -0.00 0.00 0.00 177.93 178.36 3i4q h PHE 138 N 0.80 -0.42 0.00 5.26 3.57 -0.50 -2.00 116.94 123.64 3i4q h PHE 138 Ca 0.26 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 3i4q h PHE 138 Cb 0.02 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3i4q h PHE 138 CO -0.05 -0.25 -0.30 0.74 -2.23 0.00 0.00 178.31 176.22 3i4q h PHE 139 N -0.38 0.00 0.00 0.41 0.04 -0.79 0.18 116.94 116.40 3i4q h PHE 139 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 3i4q h PHE 139 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3i4q h PHE 139 CO -0.12 0.30 -0.26 0.93 -0.60 0.00 0.00 178.31 178.56 3i4q h GLU 140 N 0.00 0.00 0.00 1.51 5.08 -0.64 -3.37 114.58 117.16 3i4q h GLU 140 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i4q h GLU 140 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3i4q h GLU 140 CO 0.04 0.26 -0.56 0.72 -1.00 0.00 0.00 179.01 178.47 3i4q n HIS 141 N -4.10 0.00 0.28 4.33 8.25 -0.78 -4.73 115.22 118.46 3i4q n HIS 141 Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 3i4q n HIS 141 Cb 0.32 0.00 0.81 0.00 1.12 0.00 0.00 29.99 32.25 3i4q n HIS 141 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 3i4q h TYR 142 N 0.00 0.00 -0.66 4.41 -0.00 -0.84 -0.23 116.97 119.66 3i4q h TYR 142 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3i4q h TYR 142 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3i4q h TYR 142 CO 0.00 0.06 0.00 1.63 -0.00 0.00 0.00 178.16 179.85 3i4q n LYS 143 N -3.77 3.39 0.07 0.10 5.02 -1.26 -4.42 118.16 117.29 3i4q n LYS 143 Ca -0.02 -2.72 0.05 0.00 -2.02 0.00 0.00 58.31 53.60 3i4q n LYS 143 Cb 0.16 -1.79 0.48 0.00 -0.02 0.00 0.00 35.03 33.86 3i4q n LYS 143 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3i4q h ASP 144 N 4.04 0.34 -0.32 4.39 3.32 -1.30 -2.54 116.42 124.34 3i4q h ASP 144 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3i4q h ASP 144 Cb 1.29 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3i4q h ASP 144 CO 0.17 0.25 0.00 0.18 -1.72 0.00 0.00 179.24 178.11 3i4q n LEU 145 N -4.49 2.91 0.00 1.55 4.77 -1.26 -5.05 117.00 115.43 3i4q n LEU 145 Ca 0.01 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 3i4q n LEU 145 Cb 0.07 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3i4q n LEU 145 CO 0.35 0.68 0.00 -0.62 -1.33 0.00 0.00 177.39 176.47 3i4q n GLU 146 N 0.81 0.69 -0.32 3.23 -0.58 -0.96 -4.87 120.64 118.64 3i4q n GLU 146 Ca 0.13 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.59 3i4q n GLU 146 Cb 0.44 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.24 3i4q n GLU 146 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i4q n GLY 148 N 5.00 0.98 3.08 0.62 0.00 -1.26 -4.82 105.19 108.79 3i4q n GLY 148 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3i4q n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4q s LYS 149 N 6.22 0.24 0.16 1.61 1.02 -1.26 -5.00 119.74 122.72 3i4q s LYS 149 Ca 0.43 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.83 3i4q s LYS 149 Cb 0.09 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 3i4q s LYS 149 CO 0.21 -0.09 0.04 1.67 -0.92 0.00 0.00 175.35 176.27 3i4q s TRP 150 N 0.61 1.06 -0.15 3.18 1.48 -1.26 -4.67 118.94 119.19 3i4q s TRP 150 Ca -0.04 -1.15 -0.07 0.00 -1.06 0.00 0.00 56.10 53.78 3i4q s TRP 150 Cb -0.05 -0.60 0.06 0.00 -1.16 0.00 0.00 33.47 31.72 3i4q s TRP 150 CO -0.03 -0.39 0.34 0.08 -4.06 0.00 0.00 176.95 172.88 3i4q s VAL 151 N -3.88 -0.23 -0.23 -0.66 1.01 -1.26 -3.01 120.40 112.14 3i4q s VAL 151 Ca 0.25 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 3i4q s VAL 151 Cb 0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3i4q s VAL 151 CO 0.04 0.07 -0.00 -0.75 0.00 0.00 0.00 175.10 174.45 3i4q s LYS 152 N 1.82 3.45 -0.17 2.72 2.20 0.89 -4.77 119.74 125.88 3i4q s LYS 152 Ca -0.06 -0.59 -0.17 0.00 -0.36 0.00 0.00 55.97 54.80 3i4q s LYS 152 Cb -0.10 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 3i4q s LYS 152 CO -0.11 -0.20 0.42 0.08 -0.36 0.00 0.00 175.35 175.18 3i4q s VAL 153 N 1.52 5.20 -0.18 4.02 1.01 -1.26 -0.39 120.40 130.31 3i4q s VAL 153 Ca 0.06 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 3i4q s VAL 153 Cb -0.15 -3.76 -0.21 0.00 0.00 0.00 0.00 36.38 32.26 3i4q s VAL 153 CO -0.01 0.29 0.32 -0.33 0.00 0.00 0.00 175.10 175.37 3i4q h GLU 154 N 7.07 0.05 0.00 2.72 5.08 -1.31 -3.49 114.58 124.70 3i4q h GLU 154 Ca -0.38 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3i4q h GLU 154 Cb 1.17 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3i4q h GLU 154 CO 0.74 1.04 0.00 0.41 -1.00 0.00 0.00 179.01 180.20 3i4q n GLY 155 N 1.54 2.26 3.79 -3.84 0.00 -1.16 -5.00 105.19 102.79 3i4q n GLY 155 Ca -0.29 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 3i4q n GLY 155 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i4q s TRP 156 N -1.92 3.61 0.38 1.61 0.52 -1.26 -1.20 118.94 120.68 3i4q s TRP 156 Ca 0.00 1.68 0.06 0.00 0.02 0.00 0.00 56.10 57.86 3i4q s TRP 156 Cb 0.00 -2.85 -0.07 0.00 -1.15 0.00 0.00 33.47 29.39 3i4q s TRP 156 CO 0.00 0.17 0.02 -1.21 0.02 0.00 0.00 176.95 175.96 3i4q s GLU 157 N -2.26 1.84 0.44 4.98 0.41 0.67 -4.95 118.70 119.84 3i4q s GLU 157 Ca 0.51 -2.03 -0.05 0.00 -0.41 0.00 0.00 54.97 52.99 3i4q s GLU 157 Cb -0.16 -1.36 0.10 0.00 -1.78 0.00 0.00 34.13 30.93 3i4q s GLU 157 CO 0.21 -0.09 0.61 0.27 -0.49 0.00 0.00 175.26 175.77 3i4q n ASN 158 N -0.86 0.32 -0.15 -0.19 0.23 -1.26 -1.18 115.26 112.16 3i4q n ASN 158 Ca -0.04 -1.38 -0.04 0.00 -0.53 0.00 0.00 54.58 52.59 3i4q n ASN 158 Cb 0.67 -0.44 0.17 0.00 -2.08 0.00 0.00 39.78 38.10 3i4q n ASN 158 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i4q h ALA 159 N -1.33 1.17 -0.83 -2.53 0.00 -1.87 -0.44 119.26 113.43 3i4q h ALA 159 Ca -0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3i4q h ALA 159 Cb 0.61 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3i4q h ALA 159 CO 0.17 0.56 0.54 -0.44 0.00 0.00 0.00 179.25 180.08 3i4q h ASP 160 N 0.84 0.96 -0.55 0.00 3.32 -1.93 0.64 116.42 119.71 3i4q h ASP 160 Ca 0.18 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3i4q h ASP 160 Cb 0.31 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3i4q h ASP 160 CO -0.00 0.70 0.02 0.00 -1.72 0.00 0.00 179.24 178.25 3i4q h ALA 161 N 1.30 0.95 -0.26 3.45 0.00 -1.68 0.96 119.26 123.98 3i4q h ALA 161 Ca 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i4q h ALA 161 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3i4q h ALA 161 CO -0.06 0.64 0.16 0.00 0.00 0.00 0.00 179.25 179.98 3i4q h ALA 162 N 1.11 0.32 -0.75 0.00 0.00 -0.55 -1.23 119.26 118.16 3i4q h ALA 162 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i4q h ALA 162 Cb 0.50 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3i4q h ALA 162 CO 0.02 -0.17 0.49 0.00 0.00 0.00 0.00 179.25 179.59 3i4q h ARG 163 N 0.32 0.98 -1.00 0.00 3.08 -0.66 -1.38 114.38 115.71 3i4q h ARG 163 Ca 0.09 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.16 3i4q h ARG 163 Cb 0.01 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 29.77 3i4q h ARG 163 CO -0.02 0.65 0.64 0.00 -1.07 0.00 0.00 179.97 180.17 3i4q h ALA 164 N 1.28 1.44 -0.69 0.04 0.00 -0.49 -0.22 119.26 120.63 3i4q h ALA 164 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3i4q h ALA 164 Cb -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3i4q h ALA 164 CO -0.07 0.39 0.22 0.00 0.00 0.00 0.00 179.25 179.78 3i4q h ALA 165 N 1.48 0.91 -0.10 0.00 0.00 -0.21 -0.79 119.26 120.55 3i4q h ALA 165 Ca 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3i4q h ALA 165 Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i4q h ALA 165 CO -0.19 0.59 0.00 0.82 0.00 0.00 0.00 179.25 180.47 3i4q h ILE 166 N 1.02 1.24 -0.14 0.00 2.04 -0.66 -1.22 117.51 119.79 3i4q h ILE 166 Ca 0.22 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3i4q h ILE 166 Cb 0.30 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3i4q h ILE 166 CO -0.01 0.22 -0.13 0.58 0.00 0.00 0.00 178.15 178.81 3i4q h VAL 167 N -0.09 0.63 -0.41 1.67 2.07 -0.92 -0.94 116.25 118.26 3i4q h VAL 167 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3i4q h VAL 167 Cb 0.34 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3i4q h VAL 167 CO 0.00 0.00 0.16 0.50 0.02 0.00 0.00 177.57 178.26 3i4q h LYS 168 N -0.16 0.33 0.00 1.57 3.64 -1.10 -1.41 116.57 119.44 3i4q h LYS 168 Ca 0.10 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 3i4q h LYS 168 Cb 0.30 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3i4q h LYS 168 CO -0.24 0.22 -0.68 0.66 -2.27 0.00 0.00 179.45 177.14 3i4q h SER 169 N 0.34 0.00 -0.21 4.20 4.64 -1.01 -1.61 113.55 119.89 3i4q h SER 169 Ca 0.18 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 3i4q h SER 169 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3i4q h SER 169 CO -0.17 0.68 -0.55 0.00 -0.87 0.00 0.00 176.83 175.92 3i4q h ALA 170 N 1.32 0.35 -0.98 5.18 0.00 -1.05 0.12 119.26 124.21 3i4q h ALA 170 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.41 3i4q h ALA 170 Cb 1.30 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 3i4q h ALA 170 CO 0.09 0.57 0.64 0.00 0.00 0.00 0.00 179.25 180.55 3i4q h ALA 171 N 0.60 1.27 0.00 0.00 0.00 -1.11 -2.90 119.26 117.12 3i4q h ALA 171 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i4q h ALA 171 Cb 1.17 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3i4q h ALA 171 CO 0.12 0.58 -0.26 0.00 0.00 0.00 0.00 179.25 179.68 3i4q h ALA 172 N 1.38 1.15 -2.34 0.00 0.00 -1.14 -3.43 119.26 114.89 3i4q h ALA 172 Ca 0.37 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 54.50 3i4q h ALA 172 Cb -0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i4q h ALA 172 CO -0.10 0.33 0.94 -0.47 0.00 0.00 0.00 179.25 179.95 3i4q s TYR 173 N -3.89 2.53 -0.36 0.00 5.04 -1.02 -4.80 117.35 114.86 3i4q s TYR 173 Ca -0.01 0.57 0.03 0.00 -2.44 0.00 0.00 57.07 55.22 3i4q s TYR 173 Cb 0.12 -3.77 0.05 0.00 0.35 0.00 0.00 41.96 38.70 3i4q s TYR 173 CO 0.65 -3.03 0.76 1.63 -1.34 0.00 0.00 175.55 174.22 3i4q n LYS 174 N 6.01 0.62 0.00 4.97 4.76 -1.26 -5.00 118.16 128.26 3i4q n LYS 174 Ca 0.15 -1.02 0.11 0.00 -2.87 0.00 0.00 58.31 54.68 3i4q n LYS 174 Cb 0.43 -1.07 0.63 0.00 -1.84 0.00 0.00 35.03 33.18 3i4q n LYS 174 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44