#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ik4 n LEU 1 N 0.00 0.00 0.08 2.46 4.32 -1.26 -5.01 117.00 117.59 3ik4 n LEU 1 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 3ik4 n LEU 1 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 3ik4 n LEU 1 CO 0.00 0.00 0.15 1.55 -1.22 0.00 0.00 177.39 177.87 3ik4 h PRO 2 N 0.00 0.13 -0.58 3.23 0.13 -1.99 -3.38 132.00 129.53 3ik4 h PRO 2 Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3ik4 h PRO 2 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 3ik4 h PRO 2 CO 0.00 1.02 0.00 0.25 -0.23 0.00 0.00 178.00 179.04 3ik4 n THR 3 N -3.51 0.77 -2.26 1.56 -2.24 -1.26 -2.07 114.28 105.26 3ik4 n THR 3 Ca -0.03 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 3ik4 n THR 3 Cb 0.90 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3ik4 n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ik4 s THR 4 N -1.23 3.54 -0.24 4.28 2.01 -1.26 -1.50 115.64 121.24 3ik4 s THR 4 Ca 0.42 1.12 -0.29 0.00 0.31 0.00 0.00 61.69 63.24 3ik4 s THR 4 Cb 0.22 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 3ik4 s THR 4 CO 0.29 0.09 1.62 -0.63 -0.69 0.00 0.00 174.62 175.31 3ik4 s ILE 5 N 1.00 3.69 -0.23 1.82 1.01 -0.37 -1.59 121.20 126.52 3ik4 s ILE 5 Ca 0.62 0.76 -0.02 0.00 0.00 0.00 0.00 60.65 62.02 3ik4 s ILE 5 Cb -0.34 -3.72 -0.18 0.00 0.01 0.00 0.00 42.46 38.22 3ik4 s ILE 5 CO 0.30 -0.32 -0.11 0.00 0.00 0.00 0.00 174.94 174.81 3ik4 n GLN 6 N 7.74 0.66 -3.74 2.79 1.13 0.14 -0.05 117.38 126.06 3ik4 n GLN 6 Ca 0.19 0.19 -0.12 0.00 -1.94 0.00 0.00 57.00 55.32 3ik4 n GLN 6 Cb 0.45 -1.56 -0.12 0.00 0.11 0.00 0.00 30.24 29.12 3ik4 n GLN 6 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ik4 s ALA 7 N -2.52 -0.65 -0.07 -1.58 0.00 -1.01 -4.86 121.76 111.06 3ik4 s ALA 7 Ca -0.33 1.00 0.05 0.00 0.00 0.00 0.00 51.96 52.68 3ik4 s ALA 7 Cb 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3ik4 s ALA 7 CO 0.62 -0.19 -0.23 0.42 0.00 0.00 0.00 175.76 176.39 3ik4 s ILE 8 N 0.96 1.92 0.19 0.00 1.01 -1.26 -0.48 121.20 123.53 3ik4 s ILE 8 Ca -0.07 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.66 3ik4 s ILE 8 Cb -0.08 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3ik4 s ILE 8 CO -0.07 0.53 -0.07 -0.94 0.00 0.00 0.00 174.94 174.40 3ik4 s SER 9 N 0.06 1.92 -0.04 3.58 1.04 -0.82 -5.01 113.70 114.43 3ik4 s SER 9 Ca -0.09 -1.10 -0.00 0.00 0.48 0.00 0.00 55.95 55.24 3ik4 s SER 9 Cb -0.15 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 65.98 3ik4 s SER 9 CO 0.05 -0.39 0.00 0.00 0.98 0.00 0.00 173.24 173.89 3ik4 s ALA 10 N -3.32 0.44 0.06 5.32 0.00 -1.26 -2.38 121.76 120.62 3ik4 s ALA 10 Ca 0.22 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.32 3ik4 s ALA 10 Cb 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3ik4 s ALA 10 CO 0.05 -0.20 -0.17 -1.83 0.00 0.00 0.00 175.76 173.61 3ik4 s GLU 11 N 1.36 1.04 0.05 0.00 -1.05 -0.86 -4.98 118.70 114.25 3ik4 s GLU 11 Ca -0.05 -0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 53.54 3ik4 s GLU 11 Cb -0.13 -1.14 -0.04 0.00 -0.44 0.00 0.00 34.13 32.38 3ik4 s GLU 11 CO -0.02 0.27 0.94 0.00 0.95 0.00 0.00 175.26 177.40 3ik4 s ALA 12 N -1.02 3.22 -0.26 -0.84 0.00 -1.26 -0.44 121.76 121.15 3ik4 s ALA 12 Ca 0.03 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.53 3ik4 s ALA 12 Cb -0.09 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.83 3ik4 s ALA 12 CO 0.02 -0.12 -0.05 0.96 0.00 0.00 0.00 175.76 176.58 3ik4 s ILE 13 N 0.50 1.81 -0.37 0.00 -4.36 0.42 -4.90 121.20 114.31 3ik4 s ILE 13 Ca 0.48 -1.53 -0.18 0.00 -0.26 0.00 0.00 60.65 59.16 3ik4 s ILE 13 Cb -0.22 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.42 3ik4 s ILE 13 CO 0.28 -0.18 0.53 0.20 0.24 0.00 0.00 174.94 176.01 3ik4 s ASN 14 N 1.24 6.31 -0.36 4.36 0.01 -1.26 -1.45 114.94 123.79 3ik4 s ASN 14 Ca -0.04 -0.11 -0.05 0.00 -0.71 0.00 0.00 52.86 51.95 3ik4 s ASN 14 Cb -0.19 -2.27 0.07 0.00 0.41 0.00 0.00 41.25 39.26 3ik4 s ASN 14 CO -0.07 -0.53 0.13 -0.76 -1.51 0.00 0.00 177.10 174.35 3ik4 s LEU 15 N 2.44 4.56 0.27 0.60 1.43 -0.24 -4.98 118.68 122.76 3ik4 s LEU 15 Ca 0.19 -1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 51.54 3ik4 s LEU 15 Cb -0.15 -1.84 -0.11 0.00 0.03 0.00 0.00 46.19 44.12 3ik4 s LEU 15 CO 0.14 -0.40 1.49 -2.16 0.23 0.00 0.00 176.35 175.66 3ik4 s PRO 16 N 1.30 4.21 0.31 1.29 0.04 -1.26 -0.56 135.00 140.34 3ik4 s PRO 16 Ca 0.00 2.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 3ik4 s PRO 16 Cb -0.21 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 3ik4 s PRO 16 CO -0.00 -0.49 0.53 -0.51 0.04 0.00 0.00 177.00 176.57 3ik4 s LEU 17 N -0.53 4.05 0.17 -3.56 1.43 -0.89 -0.38 118.68 118.98 3ik4 s LEU 17 Ca 0.60 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 54.16 3ik4 s LEU 17 Cb -0.44 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 42.46 3ik4 s LEU 17 CO 0.46 -0.24 1.50 0.71 0.23 0.00 0.00 176.35 179.01 3ik4 h THR 18 N 1.03 1.29 -4.01 5.49 1.35 -1.01 -3.43 112.91 113.62 3ik4 h THR 18 Ca -0.49 -1.65 -0.12 0.00 -0.55 0.00 0.00 66.41 63.60 3ik4 h THR 18 Cb 1.21 1.56 -0.13 0.00 -1.73 0.00 0.00 68.15 69.05 3ik4 h THR 18 CO 0.64 0.53 -0.42 -1.83 -0.25 0.00 0.00 175.52 174.19 3ik4 s GLU 19 N -4.22 1.02 0.11 4.72 -1.05 -1.26 -5.07 118.70 112.95 3ik4 s GLU 19 Ca -0.09 -1.20 -0.35 0.00 -0.15 0.00 0.00 54.97 53.18 3ik4 s GLU 19 Cb 0.11 0.33 -0.14 0.00 -0.44 0.00 0.00 34.13 33.99 3ik4 s GLU 19 CO 0.86 -0.34 1.57 -0.35 0.95 0.00 0.00 175.26 177.95 3ik4 n PRO 20 N -0.14 1.94 -3.76 -4.83 -0.04 -1.26 -4.85 135.00 122.06 3ik4 n PRO 20 Ca -0.09 0.70 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 3ik4 n PRO 20 Cb 0.63 -2.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.51 3ik4 n PRO 20 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3ik4 s PHE 21 N 1.28 3.16 -0.10 0.54 5.36 0.60 -4.92 117.98 123.90 3ik4 s PHE 21 Ca 0.82 -1.05 -0.27 0.00 -0.96 0.00 0.00 56.93 55.48 3ik4 s PHE 21 Cb -0.74 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 3ik4 s PHE 21 CO 0.42 -0.60 0.86 0.00 -1.46 0.00 0.00 175.22 174.44 3ik4 s ALA 22 N 1.48 3.39 -0.12 11.12 0.00 -1.26 -1.16 121.76 135.22 3ik4 s ALA 22 Ca 0.02 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 3ik4 s ALA 22 Cb -0.17 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.75 3ik4 s ALA 22 CO 0.02 -0.45 0.34 -1.50 0.00 0.00 0.00 175.76 174.17 3ik4 s ILE 23 N 1.63 0.00 0.00 0.00 2.07 -0.10 -4.98 121.20 119.82 3ik4 s ILE 23 Ca 0.42 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 3ik4 s ILE 23 Cb -0.18 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 41.92 3ik4 s ILE 23 CO 0.17 -0.02 0.00 0.00 -1.91 0.00 0.00 174.94 173.19 3ik4 n ALA 24 N 2.80 0.00 0.75 1.50 0.00 -1.26 -1.08 120.51 123.22 3ik4 n ALA 24 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3ik4 n ALA 24 Cb 0.58 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.25 3ik4 n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ik4 n SER 25 N 6.02 2.19 0.00 0.00 3.41 -1.26 -4.99 113.62 118.99 3ik4 n SER 25 Ca 0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3ik4 n SER 25 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3ik4 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ik4 n GLY 26 N 1.18 3.65 3.19 5.00 0.00 -0.24 -5.01 105.19 112.96 3ik4 n GLY 26 Ca 0.15 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 3ik4 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ik4 s ALA 27 N -1.27 -0.52 -0.06 4.61 0.00 -1.26 -0.92 121.76 122.33 3ik4 s ALA 27 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 3ik4 s ALA 27 Cb 0.00 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3ik4 s ALA 27 CO 0.00 -0.30 0.16 -1.14 0.00 0.00 0.00 175.76 174.48 3ik4 s GLN 28 N -1.92 0.19 -0.04 0.00 0.74 -0.31 -4.97 119.66 113.35 3ik4 s GLN 28 Ca -0.10 0.22 0.17 0.00 0.05 0.00 0.00 55.36 55.70 3ik4 s GLN 28 Cb -0.04 0.09 -0.26 0.00 1.10 0.00 0.00 33.01 33.90 3ik4 s GLN 28 CO -0.00 -0.02 0.33 0.00 -0.55 0.00 0.00 175.29 175.05 3ik4 n ALA 29 N 3.00 2.49 -3.70 1.58 0.00 -1.26 -0.29 120.51 122.33 3ik4 n ALA 29 Ca -0.13 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 3ik4 n ALA 29 Cb 0.59 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 19.38 3ik4 n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ik4 s VAL 30 N -3.09 -0.04 -0.59 0.00 1.01 -1.26 -2.09 120.40 114.35 3ik4 s VAL 30 Ca -0.07 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 3ik4 s VAL 30 Cb 0.10 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.20 3ik4 s VAL 30 CO 0.71 0.06 1.29 0.00 0.00 0.00 0.00 175.10 177.16 3ik4 s ALA 31 N 1.16 2.90 -0.95 5.51 0.00 0.28 -4.89 121.76 125.77 3ik4 s ALA 31 Ca -0.09 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 3ik4 s ALA 31 Cb -0.11 -4.08 0.12 0.00 0.00 0.00 0.00 23.12 19.06 3ik4 s ALA 31 CO -0.07 -2.82 1.17 0.00 0.00 0.00 0.00 175.76 174.04 3ik4 s ALA 32 N 5.47 3.32 0.42 0.00 0.00 -1.26 -1.08 121.76 128.62 3ik4 s ALA 32 Ca 0.46 -2.74 0.07 0.00 0.00 0.00 0.00 51.96 49.75 3ik4 s ALA 32 Cb -0.09 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 3ik4 s ALA 32 CO 0.24 -3.04 0.25 -0.80 0.00 0.00 0.00 175.76 172.41 3ik4 s ASN 33 N 3.74 4.63 -0.05 0.00 0.01 -0.53 -4.43 114.94 118.32 3ik4 s ASN 33 Ca 0.35 -0.98 0.06 0.00 -0.71 0.00 0.00 52.86 51.57 3ik4 s ASN 33 Cb -0.04 -0.47 -0.01 0.00 0.41 0.00 0.00 41.25 41.14 3ik4 s ASN 33 CO -0.09 -0.60 -0.23 -0.69 -1.51 0.00 0.00 177.10 173.97 3ik4 s VAL 34 N -2.57 1.93 -0.24 1.60 1.01 -0.29 -0.44 120.40 121.41 3ik4 s VAL 34 Ca 0.43 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3ik4 s VAL 34 Cb 0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3ik4 s VAL 34 CO 0.24 0.54 0.15 -0.22 0.00 0.00 0.00 175.10 175.81 3ik4 s LEU 35 N -0.12 4.01 -0.21 3.92 2.96 0.41 -1.07 118.68 128.58 3ik4 s LEU 35 Ca -0.04 0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3ik4 s LEU 35 Cb -0.13 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3ik4 s LEU 35 CO 0.03 0.04 0.10 -0.69 -1.32 0.00 0.00 176.35 174.52 3ik4 s VAL 36 N 1.19 5.02 -0.12 1.68 1.01 0.16 -2.03 120.40 127.30 3ik4 s VAL 36 Ca 0.07 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3ik4 s VAL 36 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3ik4 s VAL 36 CO 0.05 0.41 -0.15 -0.54 0.00 0.00 0.00 175.10 174.88 3ik4 s LYS 37 N 0.71 3.24 -0.05 2.72 1.02 -1.00 -0.66 119.74 125.73 3ik4 s LYS 37 Ca 0.05 -0.71 0.06 0.00 0.02 0.00 0.00 55.97 55.39 3ik4 s LYS 37 Cb -0.13 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 3ik4 s LYS 37 CO 0.02 0.26 -0.22 0.14 -0.92 0.00 0.00 175.35 174.62 3ik4 s VAL 38 N 0.23 2.40 -0.14 3.17 -7.23 -0.66 -1.95 120.40 116.22 3ik4 s VAL 38 Ca -0.10 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3ik4 s VAL 38 Cb -0.16 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.92 3ik4 s VAL 38 CO 0.06 0.58 -0.14 -1.10 -0.31 0.00 0.00 175.10 174.18 3ik4 s GLN 39 N -0.47 2.28 0.46 4.82 -1.52 0.37 -0.77 119.66 124.83 3ik4 s GLN 39 Ca 0.05 -0.56 -0.05 0.00 -1.95 0.00 0.00 55.36 52.85 3ik4 s GLN 39 Cb -0.12 -2.06 -0.04 0.00 -0.22 0.00 0.00 33.01 30.58 3ik4 s GLN 39 CO 0.01 -0.20 0.76 -0.51 -0.25 0.00 0.00 175.29 175.10 3ik4 s LEU 40 N 1.37 3.69 0.51 2.90 1.02 0.43 0.26 118.68 128.85 3ik4 s LEU 40 Ca 0.02 0.89 0.18 0.00 0.02 0.00 0.00 54.13 55.25 3ik4 s LEU 40 Cb -0.13 -3.83 1.27 0.00 0.02 0.00 0.00 46.19 43.51 3ik4 s LEU 40 CO -0.09 -0.53 2.11 0.00 0.02 0.00 0.00 176.35 177.86 3ik4 h ALA 41 N 0.38 1.79 -0.04 4.21 0.00 -1.08 -0.15 119.26 124.37 3ik4 h ALA 41 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ik4 h ALA 41 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ik4 h ALA 41 CO 0.62 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 3ik4 n ASP 42 N -4.31 0.24 0.00 0.00 5.75 -0.88 -4.87 116.55 112.48 3ik4 n ASP 42 Ca -0.03 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3ik4 n ASP 42 Cb 0.15 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3ik4 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ik4 n GLY 43 N 0.70 0.75 3.72 6.12 0.00 -0.07 -5.04 105.19 111.38 3ik4 n GLY 43 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3ik4 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ik4 s THR 44 N -2.57 3.64 -0.18 2.61 2.01 -1.24 -4.78 115.64 115.12 3ik4 s THR 44 Ca 0.00 1.26 -0.02 0.00 0.31 0.00 0.00 61.69 63.24 3ik4 s THR 44 Cb 0.00 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 3ik4 s THR 44 CO 0.00 0.14 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.77 3ik4 s LEU 45 N 0.48 2.80 -0.06 4.42 2.96 -1.26 -0.43 118.68 127.60 3ik4 s LEU 45 Ca 0.58 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3ik4 s LEU 45 Cb -0.33 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 3ik4 s LEU 45 CO 0.33 0.06 0.06 -0.83 -1.32 0.00 0.00 176.35 174.65 3ik4 s GLY 46 N 0.99 1.99 -0.07 7.98 0.00 0.05 -4.58 107.32 113.67 3ik4 s GLY 46 Ca -0.01 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 43.97 3ik4 s GLY 46 CO -0.01 -0.60 -0.24 1.08 0.00 0.00 0.00 173.10 173.34 3ik4 s LEU 47 N -1.25 2.06 0.04 0.66 1.43 -1.26 -1.65 118.68 118.71 3ik4 s LEU 47 Ca 0.17 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3ik4 s LEU 47 Cb -0.12 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 3ik4 s LEU 47 CO 0.07 0.21 -0.08 -0.83 0.23 0.00 0.00 176.35 175.95 3ik4 s GLY 48 N 0.03 0.53 -0.11 -3.19 0.00 0.17 -3.95 107.32 100.80 3ik4 s GLY 48 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.88 3ik4 s GLY 48 CO 0.05 -0.81 -0.18 1.85 0.00 0.00 0.00 173.10 174.01 3ik4 s GLU 49 N -1.55 3.16 -0.22 2.90 2.12 -1.26 0.38 118.70 124.24 3ik4 s GLU 49 Ca -0.09 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 54.40 3ik4 s GLU 49 Cb -0.10 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 3ik4 s GLU 49 CO 0.01 0.23 0.04 0.00 -0.54 0.00 0.00 175.26 175.00 3ik4 s ALA 50 N 0.26 3.17 -0.68 6.30 0.00 -0.23 -3.77 121.76 126.80 3ik4 s ALA 50 Ca -0.12 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 50.90 3ik4 s ALA 50 Cb -0.16 -1.93 0.20 0.00 0.00 0.00 0.00 23.12 21.23 3ik4 s ALA 50 CO 0.07 -0.21 0.59 0.00 0.00 0.00 0.00 175.76 176.20 3ik4 n ALA 51 N 4.37 3.65 -2.32 0.00 0.00 -1.26 -1.13 120.51 123.81 3ik4 n ALA 51 Ca -0.17 -4.60 -0.41 0.00 0.00 0.00 0.00 53.44 48.26 3ik4 n ALA 51 Cb 0.52 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 3ik4 n ALA 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ik4 s PRO 52 N -1.83 4.64 -0.29 0.00 0.04 -1.26 -4.70 135.00 131.60 3ik4 s PRO 52 Ca 0.31 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 3ik4 s PRO 52 Cb 0.03 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 3ik4 s PRO 52 CO -0.11 0.11 0.18 0.12 0.04 0.00 0.00 177.00 177.34 3ik4 s PHE 53 N 0.21 3.21 -0.31 0.56 2.19 -1.24 -4.75 117.98 117.85 3ik4 s PHE 53 Ca 0.49 -0.02 -0.05 0.00 0.33 0.00 0.00 56.93 57.68 3ik4 s PHE 53 Cb -0.24 -2.38 -0.17 0.00 -1.31 0.00 0.00 43.02 38.92 3ik4 s PHE 53 CO 0.30 -0.23 2.78 -0.35 1.83 0.00 0.00 175.22 179.56 3ik4 n PRO 54 N 5.05 1.85 -0.67 10.12 -0.04 -0.84 -2.42 135.00 148.05 3ik4 n PRO 54 Ca -0.14 -1.02 -0.31 0.00 -0.04 0.00 0.00 63.50 61.99 3ik4 n PRO 54 Cb 0.51 -2.07 0.17 0.00 -0.04 0.00 0.00 33.50 32.08 3ik4 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ik4 n ALA 55 N 2.95 -1.05 -0.14 0.55 0.00 -1.26 -4.85 120.51 116.72 3ik4 n ALA 55 Ca 0.40 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 3ik4 n ALA 55 Cb 0.57 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.89 3ik4 n ALA 55 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3ik4 h VAL 56 N -1.91 0.60 -1.97 0.00 3.04 -1.95 0.61 116.25 114.66 3ik4 h VAL 56 Ca -0.44 -0.01 -0.73 0.00 -1.01 0.00 0.00 66.70 64.51 3ik4 h VAL 56 Cb 1.27 0.55 -0.31 0.00 -2.01 0.00 0.00 31.29 30.80 3ik4 h VAL 56 CO 0.41 0.01 0.59 -1.54 -1.01 0.00 0.00 177.57 176.02 3ik4 n SER 57 N -5.29 6.73 0.00 3.17 3.41 -1.26 -4.96 113.62 115.42 3ik4 n SER 57 Ca 0.03 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 3ik4 n SER 57 Cb 0.24 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 3ik4 n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ik4 n GLY 58 N -0.42 5.11 3.12 5.00 0.00 0.20 -5.15 105.19 113.04 3ik4 n GLY 58 Ca 0.48 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 3ik4 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ik4 s GLU 59 N 2.95 0.88 0.37 1.61 2.02 -1.02 -4.84 118.70 120.67 3ik4 s GLU 59 Ca 0.00 -0.68 0.08 0.00 0.02 0.00 0.00 54.97 54.39 3ik4 s GLU 59 Cb 0.00 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.34 3ik4 s GLU 59 CO 0.00 0.22 0.34 0.95 0.02 0.00 0.00 175.26 176.78 3ik4 s THR 60 N -0.77 3.16 0.17 3.63 -4.23 -1.26 -1.98 115.64 114.36 3ik4 s THR 60 Ca 0.01 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 3ik4 s THR 60 Cb -0.07 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.73 3ik4 s THR 60 CO 0.01 -0.10 1.70 -0.61 -0.54 0.00 0.00 174.62 175.08 3ik4 h GLN 61 N 1.14 0.93 -0.18 3.99 4.15 -1.86 -2.53 115.11 120.75 3ik4 h GLN 61 Ca -0.43 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 58.73 3ik4 h GLN 61 Cb 1.26 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3ik4 h GLN 61 CO 0.58 0.83 -0.11 1.15 -1.93 0.00 0.00 178.83 179.35 3ik4 h THR 62 N 0.84 1.32 -0.16 2.39 2.02 -1.96 -2.56 112.91 114.81 3ik4 h THR 62 Ca 0.19 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 3ik4 h THR 62 Cb 0.29 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3ik4 h THR 62 CO -0.01 0.36 0.02 1.23 0.37 0.00 0.00 175.52 177.50 3ik4 h GLY 63 N 0.06 0.23 0.71 2.16 0.00 -1.97 -0.58 103.07 103.67 3ik4 h GLY 63 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3ik4 h GLY 63 CO 0.03 0.10 -0.17 -0.84 0.00 0.00 0.00 176.54 175.66 3ik4 h THR 64 N 0.22 0.64 -0.84 4.70 2.02 -1.41 -1.99 112.91 116.25 3ik4 h THR 64 Ca 0.05 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 66.79 3ik4 h THR 64 Cb 0.11 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 3ik4 h THR 64 CO -0.00 0.09 0.52 0.28 0.37 0.00 0.00 175.52 176.78 3ik4 h SER 65 N -0.77 0.81 -0.90 4.18 0.02 -1.15 -0.62 113.55 115.13 3ik4 h SER 65 Ca -0.05 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3ik4 h SER 65 Cb 0.51 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3ik4 h SER 65 CO 0.08 0.52 0.56 0.00 -1.14 0.00 0.00 176.83 176.85 3ik4 h ALA 66 N 1.40 1.14 -0.41 3.77 0.00 -1.16 -2.09 119.26 121.91 3ik4 h ALA 66 Ca 0.37 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 3ik4 h ALA 66 Cb 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ik4 h ALA 66 CO -0.17 0.58 -0.20 0.00 0.00 0.00 0.00 179.25 179.45 3ik4 h ALA 67 N 1.31 0.87 -0.75 0.00 0.00 -0.49 -2.48 119.26 117.72 3ik4 h ALA 67 Ca 0.32 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ik4 h ALA 67 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3ik4 h ALA 67 CO -0.06 0.63 0.25 0.82 0.00 0.00 0.00 179.25 180.89 3ik4 h ILE 68 N 0.71 1.26 -0.77 0.00 2.04 -0.94 -2.00 117.51 117.81 3ik4 h ILE 68 Ca 0.10 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 3ik4 h ILE 68 Cb 0.72 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3ik4 h ILE 68 CO 0.06 0.35 0.35 -0.33 0.00 0.00 0.00 178.15 178.58 3ik4 h GLU 69 N 1.12 1.10 -0.36 2.37 4.39 -1.15 -1.29 114.58 120.76 3ik4 h GLU 69 Ca 0.25 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3ik4 h GLU 69 Cb 0.28 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3ik4 h GLU 69 CO -0.01 0.86 -0.29 0.00 -1.16 0.00 0.00 179.01 178.41 3ik4 h ARG 70 N 1.09 0.77 0.00 2.33 3.08 -1.25 -3.16 114.38 117.25 3ik4 h ARG 70 Ca 0.26 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3ik4 h ARG 70 Cb 0.13 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3ik4 h ARG 70 CO -0.03 0.96 0.00 -0.07 -1.07 0.00 0.00 179.97 179.76 3ik4 h LEU 71 N 0.66 0.00 -1.07 3.04 3.38 -1.03 -3.36 115.31 116.93 3ik4 h LEU 71 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ik4 h LEU 71 Cb 0.82 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3ik4 h LEU 71 CO 0.07 0.00 0.63 -0.61 0.09 0.00 0.00 178.44 178.62 3ik4 h GLN 72 N 0.00 1.21 0.00 1.13 4.15 -1.21 -1.86 115.11 118.53 3ik4 h GLN 72 Ca 0.00 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 3ik4 h GLN 72 Cb 0.80 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3ik4 h GLN 72 CO 0.00 0.80 -0.27 0.66 -1.93 0.00 0.00 178.83 178.09 3ik4 h SER 73 N 1.24 0.00 0.94 -0.69 4.64 -1.77 -0.13 113.55 117.79 3ik4 h SER 73 Ca 0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.65 3ik4 h SER 73 Cb -0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3ik4 h SER 73 CO -0.10 0.27 -0.18 0.45 -0.87 0.00 0.00 176.83 176.40 3ik4 h HIS 74 N 0.00 0.00 0.00 4.77 3.86 -1.58 -3.37 115.15 118.83 3ik4 h HIS 74 Ca -0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.01 3ik4 h HIS 74 Cb 0.56 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 3ik4 h HIS 74 CO 0.00 0.18 -1.72 1.28 0.86 0.00 0.00 177.93 178.53 3ik4 n LEU 75 N -3.35 0.48 -4.72 2.43 4.77 -0.88 -4.82 117.00 110.92 3ik4 n LEU 75 Ca 0.00 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 3ik4 n LEU 75 Cb 0.41 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3ik4 n LEU 75 CO 0.32 0.33 1.36 0.18 -1.33 0.00 0.00 177.39 178.25 3ik4 n LEU 76 N -2.47 3.99 0.00 2.23 4.77 -0.11 -2.47 117.00 122.94 3ik4 n LEU 76 Ca -0.18 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 3ik4 n LEU 76 Cb 0.83 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 3ik4 n LEU 76 CO 0.21 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3ik4 n GLY 77 N 3.82 3.13 3.81 -0.72 0.00 0.93 -4.97 105.19 111.19 3ik4 n GLY 77 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3ik4 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ik4 s ALA 78 N -1.58 2.85 -0.10 4.61 0.00 -1.03 -4.57 121.76 121.94 3ik4 s ALA 78 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 3ik4 s ALA 78 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3ik4 s ALA 78 CO 0.00 -0.51 1.20 0.34 0.00 0.00 0.00 175.76 176.79 3ik4 s ASP 79 N -2.53 7.03 0.25 0.00 3.68 -1.26 -1.24 116.67 122.60 3ik4 s ASP 79 Ca 0.64 1.74 0.24 0.00 2.13 0.00 0.00 52.55 57.30 3ik4 s ASP 79 Cb -0.15 -2.55 0.96 0.00 -1.45 0.00 0.00 42.92 39.73 3ik4 s ASP 79 CO 0.29 -0.63 1.72 0.55 0.13 0.00 0.00 175.17 177.23 3ik4 n VAL 80 N 4.87 0.79 0.14 1.11 3.14 -0.56 -2.27 118.33 125.55 3ik4 n VAL 80 Ca 0.12 0.16 0.04 0.00 -2.96 0.00 0.00 64.34 61.70 3ik4 n VAL 80 Cb 0.46 -1.08 0.47 0.00 -1.06 0.00 0.00 33.84 32.63 3ik4 n VAL 80 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3ik4 h ARG 81 N 0.00 0.21 -1.87 1.45 3.08 -1.92 -2.99 114.38 112.35 3ik4 h ARG 81 Ca 0.00 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 3ik4 h ARG 81 Cb 0.42 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 3ik4 h ARG 81 CO 0.00 0.26 0.09 0.41 -1.07 0.00 0.00 179.97 179.66 3ik4 n GLY 82 N -1.16 3.09 0.32 0.04 0.00 -0.96 -4.72 105.19 101.80 3ik4 n GLY 82 Ca -0.01 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3ik4 n GLY 82 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3ik4 h TRP 83 N 1.46 0.79 -0.48 1.61 5.08 -1.76 -1.05 115.95 121.60 3ik4 h TRP 83 Ca 0.12 0.04 -0.13 0.00 1.08 0.00 0.00 58.89 60.00 3ik4 h TRP 83 Cb 1.02 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 3ik4 h TRP 83 CO 0.63 0.09 -0.22 0.00 -1.28 0.00 0.00 178.44 177.66 3ik4 h ARG 84 N 0.56 0.99 -0.32 0.12 3.08 -1.91 0.23 114.38 117.12 3ik4 h ARG 84 Ca 0.53 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3ik4 h ARG 84 Cb 0.90 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3ik4 h ARG 84 CO -0.44 1.10 0.14 -0.22 -1.07 0.00 0.00 179.97 179.48 3ik4 h LYS 85 N 0.84 0.47 -0.39 0.04 3.64 -1.67 -2.14 116.57 117.36 3ik4 h LYS 85 Ca 0.11 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3ik4 h LYS 85 Cb 0.80 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3ik4 h LYS 85 CO 0.07 0.45 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.58 3ik4 h LEU 86 N 0.38 0.71 -0.97 5.20 3.38 -1.14 -0.54 115.31 122.32 3ik4 h LEU 86 Ca 0.11 -0.33 0.15 0.00 0.09 0.00 0.00 57.88 57.89 3ik4 h LEU 86 Cb 0.14 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 3ik4 h LEU 86 CO -0.01 0.87 0.59 0.00 0.09 0.00 0.00 178.44 179.98 3ik4 h ALA 87 N 0.86 1.51 -0.02 1.53 0.00 -0.88 -1.25 119.26 121.00 3ik4 h ALA 87 Ca 0.10 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3ik4 h ALA 87 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ik4 h ALA 87 CO 0.03 0.08 -0.80 0.00 0.00 0.00 0.00 179.25 178.56 3ik4 h ALA 88 N 1.57 0.59 -0.44 0.00 0.00 -0.97 -2.64 119.26 117.37 3ik4 h ALA 88 Ca 0.51 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3ik4 h ALA 88 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3ik4 h ALA 88 CO -0.32 0.85 0.15 0.52 0.00 0.00 0.00 179.25 180.45 3ik4 h MET 89 N 0.15 0.68 -0.38 0.00 2.07 -0.40 -1.63 114.93 115.41 3ik4 h MET 89 Ca -0.04 -0.14 -0.00 0.00 -2.07 0.00 0.00 59.70 57.45 3ik4 h MET 89 Cb 1.39 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 31.00 3ik4 h MET 89 CO 0.13 0.65 0.23 -0.07 1.07 0.00 0.00 176.91 178.91 3ik4 h LEU 90 N 0.57 0.47 -0.95 1.22 3.38 -1.26 -2.25 115.31 116.48 3ik4 h LEU 90 Ca 0.14 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3ik4 h LEU 90 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ik4 h LEU 90 CO -0.01 0.39 -0.19 -0.78 0.09 0.00 0.00 178.44 177.95 3ik4 h ASP 91 N 0.50 0.54 -0.32 -0.43 -0.00 -1.38 0.39 116.42 115.72 3ik4 h ASP 91 Ca 0.14 -0.17 -0.13 0.00 -0.00 0.00 0.00 57.03 56.87 3ik4 h ASP 91 Cb 0.02 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.19 3ik4 h ASP 91 CO -0.02 0.74 -0.29 -0.74 -0.00 0.00 0.00 179.24 178.93 3ik4 h HIS 92 N 0.49 0.97 0.18 0.28 2.76 -1.21 -2.82 115.15 115.81 3ik4 h HIS 92 Ca 0.08 -0.25 -0.32 0.00 -2.20 0.00 0.00 60.37 57.68 3ik4 h HIS 92 Cb 0.60 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.36 3ik4 h HIS 92 CO 0.02 1.02 -1.50 0.00 -1.30 0.00 0.00 177.93 176.17 3ik4 h ALA 93 N 0.96 0.06 -1.41 5.26 0.00 -1.02 -3.42 119.26 119.68 3ik4 h ALA 93 Ca 0.08 -0.98 -0.41 0.00 0.00 0.00 0.00 54.91 53.60 3ik4 h ALA 93 Cb 0.84 0.22 -0.36 0.00 0.00 0.00 0.00 17.79 18.49 3ik4 h ALA 93 CO 0.07 0.93 -1.07 -1.91 0.00 0.00 0.00 179.25 177.27 3ik4 n GLU 94 N -3.59 1.03 -0.29 0.00 4.07 0.13 -4.98 120.64 117.02 3ik4 n GLU 94 Ca -0.17 -3.11 -0.01 0.00 -0.06 0.00 0.00 57.16 53.82 3ik4 n GLU 94 Cb 1.07 -1.42 0.11 0.00 -0.06 0.00 0.00 31.44 31.14 3ik4 n GLU 94 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3ik4 h HIS 95 N 2.95 0.95 0.00 4.31 -0.00 -1.65 -2.68 115.15 119.02 3ik4 h HIS 95 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3ik4 h HIS 95 Cb 1.06 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 28.16 3ik4 h HIS 95 CO 0.44 0.51 -0.05 0.93 -0.00 0.00 0.00 177.93 179.77 3ik4 h GLU 96 N 0.96 0.00 -2.52 5.26 3.07 -1.94 -3.29 114.58 116.12 3ik4 h GLU 96 Ca 0.34 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.51 3ik4 h GLU 96 Cb 0.08 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.87 3ik4 h GLU 96 CO -0.14 0.05 2.09 0.00 -1.40 0.00 0.00 179.01 179.61 3ik4 n ALA 97 N -2.12 6.79 -0.28 3.43 0.00 -1.01 -4.75 120.51 122.57 3ik4 n ALA 97 Ca 0.02 -3.84 -0.01 0.00 0.00 0.00 0.00 53.44 49.61 3ik4 n ALA 97 Cb 0.41 -2.69 0.11 0.00 0.00 0.00 0.00 19.45 17.28 3ik4 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ik4 h ALA 98 N 4.31 1.04 -0.43 0.00 0.00 -1.79 -1.57 119.26 120.83 3ik4 h ALA 98 Ca 0.65 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.45 3ik4 h ALA 98 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ik4 h ALA 98 CO 1.37 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 180.73 3ik4 h ALA 99 N 1.36 0.97 -0.05 0.00 0.00 -1.84 -0.10 119.26 119.59 3ik4 h ALA 99 Ca 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ik4 h ALA 99 Cb 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ik4 h ALA 99 CO -0.15 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.74 3ik4 h ALA 100 N 1.15 0.07 -0.12 0.00 0.00 -1.76 -2.09 119.26 116.51 3ik4 h ALA 100 Ca 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ik4 h ALA 100 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ik4 h ALA 100 CO 0.04 -0.37 -0.22 0.00 0.00 0.00 0.00 179.25 178.70 3ik4 h ARG 101 N -0.05 0.21 -0.51 0.00 3.08 -1.19 -1.53 114.38 114.39 3ik4 h ARG 101 Ca 0.02 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3ik4 h ARG 101 Cb 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3ik4 h ARG 101 CO -0.00 0.43 -0.12 0.00 -1.07 0.00 0.00 179.97 179.21 3ik4 h GLY 103 N 0.95 0.87 1.06 0.00 0.00 -0.79 -0.70 103.07 104.46 3ik4 h GLY 103 Ca 0.13 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 3ik4 h GLY 103 CO 0.05 0.46 -0.47 1.41 0.00 0.00 0.00 176.54 177.99 3ik4 h LEU 104 N 0.73 0.87 -0.47 3.11 3.38 -1.23 -2.36 115.31 119.34 3ik4 h LEU 104 Ca 0.18 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 3ik4 h LEU 104 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ik4 h LEU 104 CO -0.01 1.23 0.01 -0.33 0.09 0.00 0.00 178.44 179.43 3ik4 h GLU 105 N 0.54 0.82 0.00 1.13 5.08 -1.12 -1.24 114.58 119.79 3ik4 h GLU 105 Ca 0.02 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3ik4 h GLU 105 Cb 1.07 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 3ik4 h GLU 105 CO 0.11 0.86 -0.13 0.52 -1.00 0.00 0.00 179.01 179.37 3ik4 h MET 106 N 0.67 0.00 0.20 2.33 2.86 -1.12 -1.59 114.93 118.27 3ik4 h MET 106 Ca 0.13 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.46 3ik4 h MET 106 Cb 0.49 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.17 3ik4 h MET 106 CO 0.02 0.13 -1.49 0.00 1.06 0.00 0.00 176.91 176.64 3ik4 h ALA 107 N 1.87 0.01 -0.23 6.32 0.00 -1.25 -2.97 119.26 123.01 3ik4 h ALA 107 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 54.91 53.81 3ik4 h ALA 107 Cb 0.27 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ik4 h ALA 107 CO 0.02 0.79 -0.35 0.52 0.00 0.00 0.00 179.25 180.23 3ik4 h MET 108 N -0.01 0.51 -0.00 0.00 2.07 -1.06 -0.57 114.93 115.86 3ik4 h MET 108 Ca -0.28 -0.23 -0.16 0.00 -2.07 0.00 0.00 59.70 56.95 3ik4 h MET 108 Cb 2.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 31.72 3ik4 h MET 108 CO 0.19 0.79 -0.76 -0.07 1.07 0.00 0.00 176.91 178.13 3ik4 h LEU 109 N 0.43 0.07 -0.45 1.22 3.38 -1.44 -0.96 115.31 117.56 3ik4 h LEU 109 Ca 0.05 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3ik4 h LEU 109 Cb 0.82 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3ik4 h LEU 109 CO 0.07 0.80 -0.32 -0.78 0.09 0.00 0.00 178.44 178.30 3ik4 h ASP 110 N 0.03 1.00 1.27 -0.43 3.58 -1.33 -1.70 116.42 118.84 3ik4 h ASP 110 Ca -0.01 -0.42 -0.08 0.00 0.42 0.00 0.00 57.03 56.93 3ik4 h ASP 110 Cb 1.34 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 3ik4 h ASP 110 CO 0.10 1.22 -0.37 0.00 -2.88 0.00 0.00 179.24 177.31 3ik4 h ALA 111 N 0.83 0.84 0.07 -0.78 0.00 -1.08 -2.07 119.26 117.07 3ik4 h ALA 111 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ik4 h ALA 111 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ik4 h ALA 111 CO 0.08 0.47 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 3ik4 h LEU 112 N 0.00 -0.08 -1.03 0.00 5.85 -1.08 -2.61 115.31 116.36 3ik4 h LEU 112 Ca -0.00 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 3ik4 h LEU 112 Cb 1.11 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3ik4 h LEU 112 CO 0.05 0.52 -0.14 0.71 -0.34 0.00 0.00 178.44 179.23 3ik4 h THR 113 N -0.71 0.33 0.07 1.05 1.35 -1.36 -2.56 112.91 111.08 3ik4 h THR 113 Ca -0.01 -0.98 -0.24 0.00 -0.55 0.00 0.00 66.41 64.63 3ik4 h THR 113 Cb 0.58 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 3ik4 h THR 113 CO 0.02 0.14 -1.11 0.03 -0.25 0.00 0.00 175.52 174.35 3ik4 h ARG 114 N 0.00 0.21 -0.26 4.72 3.08 -1.46 0.30 114.38 120.96 3ik4 h ARG 114 Ca -0.00 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 3ik4 h ARG 114 Cb 0.74 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3ik4 h ARG 114 CO 0.02 1.12 -0.02 1.25 -1.07 0.00 0.00 179.97 181.26 3ik4 h HIS 115 N 0.07 0.41 -0.63 3.04 2.76 -1.18 -2.35 115.15 117.27 3ik4 h HIS 115 Ca -0.09 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 3ik4 h HIS 115 Cb 1.82 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.66 3ik4 h HIS 115 CO 0.04 0.44 0.00 0.66 -1.30 0.00 0.00 177.93 177.77 3ik4 n TYR 116 N -4.30 1.38 -2.52 5.26 4.01 -0.99 -4.97 117.16 115.03 3ik4 n TYR 116 Ca 0.01 -0.56 -0.15 0.00 -0.16 0.00 0.00 57.90 57.04 3ik4 n TYR 116 Cb 0.23 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3ik4 n TYR 116 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3ik4 n HIS 117 N 1.14 -1.40 -4.68 -0.72 8.25 -0.81 -4.96 115.22 112.04 3ik4 n HIS 117 Ca 0.25 0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.43 3ik4 n HIS 117 Cb 0.83 -3.05 -0.13 0.00 1.12 0.00 0.00 29.99 28.76 3ik4 n HIS 117 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3ik4 s MET 118 N -5.13 3.16 0.35 -0.41 0.00 0.98 -4.68 119.30 113.57 3ik4 s MET 118 Ca 0.04 -0.62 -0.28 0.00 0.00 0.00 0.00 55.69 54.83 3ik4 s MET 118 Cb -0.02 -2.64 -0.10 0.00 0.00 0.00 0.00 34.83 32.06 3ik4 s MET 118 CO 0.05 0.39 1.35 -2.14 0.00 0.00 0.00 175.02 174.67 3ik4 s PRO 119 N -0.09 4.28 0.37 4.11 0.02 -1.26 -1.59 135.00 140.85 3ik4 s PRO 119 Ca -0.00 2.30 0.07 0.00 0.02 0.00 0.00 61.00 63.39 3ik4 s PRO 119 Cb -0.14 -3.03 0.73 0.00 0.02 0.00 0.00 34.50 32.08 3ik4 s PRO 119 CO 0.03 -0.28 1.92 -0.07 -0.33 0.00 0.00 177.00 178.27 3ik4 h LEU 120 N 3.26 0.35 -1.19 -5.54 3.38 -1.61 -1.61 115.31 112.34 3ik4 h LEU 120 Ca -0.49 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 3ik4 h LEU 120 Cb 1.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3ik4 h LEU 120 CO 0.65 0.44 -0.30 1.12 0.09 0.00 0.00 178.44 180.44 3ik4 h HIS 121 N 0.36 0.00 -0.27 1.13 2.07 -1.82 -0.85 115.15 115.77 3ik4 h HIS 121 Ca 0.08 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.45 3ik4 h HIS 121 Cb 0.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.28 3ik4 h HIS 121 CO 0.01 0.30 -0.42 0.28 -3.07 0.00 0.00 177.93 175.03 3ik4 h VAL 122 N 0.00 1.30 -0.73 6.12 2.07 -1.73 0.24 116.25 123.52 3ik4 h VAL 122 Ca -0.00 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3ik4 h VAL 122 Cb 0.74 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3ik4 h VAL 122 CO 0.04 0.52 0.44 0.15 0.02 0.00 0.00 177.57 178.73 3ik4 h PHE 123 N 0.50 0.95 -0.00 1.57 3.04 -0.59 -2.29 116.94 120.12 3ik4 h PHE 123 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3ik4 h PHE 123 Cb 1.02 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.21 3ik4 h PHE 123 CO 0.08 0.63 -0.29 1.19 -2.02 0.00 0.00 178.31 177.90 3ik4 n PHE 124 N -4.39 0.00 0.00 0.41 0.99 -0.39 -4.91 117.46 109.16 3ik4 n PHE 124 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 3ik4 n PHE 124 Cb 0.07 -0.30 0.00 0.00 -1.00 0.00 0.00 39.48 38.25 3ik4 n PHE 124 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ik4 n GLY 125 N 1.46 1.96 2.29 1.37 0.00 -0.86 -3.34 105.19 108.06 3ik4 n GLY 125 Ca 0.08 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3ik4 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 126 N 0.00 1.11 0.22 -0.02 0.00 0.82 -4.91 105.19 102.41 3ik4 n GLY 126 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 3ik4 n GLY 126 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ik4 h VAL 127 N 0.00 1.19 -3.89 1.61 2.07 -1.33 -3.46 116.25 112.44 3ik4 h VAL 127 Ca -0.21 -0.56 -0.16 0.00 0.82 0.00 0.00 66.70 66.59 3ik4 h VAL 127 Cb 0.70 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 3ik4 h VAL 127 CO 0.31 0.22 -0.18 -0.94 0.02 0.00 0.00 177.57 177.00 3ik4 s SER 128 N -5.88 0.32 -0.09 0.57 1.04 -0.42 -5.02 113.70 104.22 3ik4 s SER 128 Ca -0.13 -1.20 0.16 0.00 0.48 0.00 0.00 55.95 55.26 3ik4 s SER 128 Cb 0.11 0.61 0.35 0.00 0.10 0.00 0.00 66.02 67.19 3ik4 s SER 128 CO 0.76 -1.20 1.16 2.29 0.98 0.00 0.00 173.24 177.23 3ik4 n LYS 129 N -0.45 0.73 -3.73 4.02 -0.00 -1.26 -3.92 118.16 113.54 3ik4 n LYS 129 Ca -0.01 -2.40 -0.12 0.00 -0.00 0.00 0.00 58.31 55.78 3ik4 n LYS 129 Cb 0.62 -0.83 -0.13 0.00 -0.00 0.00 0.00 35.03 34.69 3ik4 n LYS 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3ik4 s GLN 130 N -1.51 0.21 0.27 -1.58 0.74 -1.26 -0.68 119.66 115.85 3ik4 s GLN 130 Ca 0.31 0.51 0.07 0.00 0.05 0.00 0.00 55.36 56.29 3ik4 s GLN 130 Cb 0.32 -0.10 -0.06 0.00 1.10 0.00 0.00 33.01 34.27 3ik4 s GLN 130 CO -0.09 -0.15 -0.07 -0.51 -0.55 0.00 0.00 175.29 173.92 3ik4 s LEU 131 N 1.15 2.49 -0.28 3.68 1.43 -0.50 -4.90 118.68 121.74 3ik4 s LEU 131 Ca -0.08 -1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 3ik4 s LEU 131 Cb -0.09 -0.64 0.09 0.00 0.03 0.00 0.00 46.19 45.57 3ik4 s LEU 131 CO -0.08 -0.31 0.06 -0.70 0.23 0.00 0.00 176.35 175.55 3ik4 s GLU 132 N -3.71 0.90 0.24 1.70 2.56 -1.26 -0.76 118.70 118.37 3ik4 s GLU 132 Ca 0.28 -0.99 -0.14 0.00 0.00 0.00 0.00 54.97 54.13 3ik4 s GLU 132 Cb 0.03 -2.20 -0.08 0.00 2.00 0.00 0.00 34.13 33.88 3ik4 s GLU 132 CO 0.11 -0.85 0.63 -0.08 -0.56 0.00 0.00 175.26 174.51 3ik4 s THR 133 N 1.58 4.78 1.03 -1.70 -1.32 0.03 -4.36 115.64 115.68 3ik4 s THR 133 Ca 0.05 0.83 -0.17 0.00 -1.21 0.00 0.00 61.69 61.19 3ik4 s THR 133 Cb -0.18 -3.68 0.22 0.00 -1.51 0.00 0.00 72.50 67.36 3ik4 s THR 133 CO -0.17 0.01 1.25 1.51 -2.21 0.00 0.00 174.62 175.01 3ik4 s ASP 134 N -2.07 2.46 0.03 8.08 3.84 -0.38 -4.63 116.67 124.00 3ik4 s ASP 134 Ca 0.46 0.40 0.02 0.00 -0.00 0.00 0.00 52.55 53.44 3ik4 s ASP 134 Cb -0.13 -0.52 -0.02 0.00 -1.38 0.00 0.00 42.92 40.88 3ik4 s ASP 134 CO 0.19 -3.15 -0.08 -0.32 -0.00 0.00 0.00 175.17 171.81 3ik4 s MET 135 N -5.73 0.56 -0.01 2.11 1.75 -1.05 -4.55 119.30 112.38 3ik4 s MET 135 Ca 0.73 -0.63 -0.20 0.00 -1.25 0.00 0.00 55.69 54.34 3ik4 s MET 135 Cb -0.06 -0.41 -0.05 0.00 2.84 0.00 0.00 34.83 37.15 3ik4 s MET 135 CO 0.54 0.09 0.56 0.99 -0.65 0.00 0.00 175.02 176.55 3ik4 s THR 136 N -1.02 4.93 -0.38 10.11 2.01 -1.26 -0.71 115.64 129.32 3ik4 s THR 136 Ca -0.06 1.17 -0.23 0.00 0.31 0.00 0.00 61.69 62.89 3ik4 s THR 136 Cb -0.08 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.55 3ik4 s THR 136 CO 0.00 0.43 0.79 -0.63 -0.69 0.00 0.00 174.62 174.53 3ik4 s ILE 137 N -0.26 4.71 -0.26 1.82 1.01 -0.14 -4.92 121.20 123.16 3ik4 s ILE 137 Ca 0.30 0.82 -0.16 0.00 0.00 0.00 0.00 60.65 61.61 3ik4 s ILE 137 Cb -0.18 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 3ik4 s ILE 137 CO 0.16 -0.48 0.41 -0.89 0.00 0.00 0.00 174.94 174.14 3ik4 s THR 138 N 3.15 5.15 0.00 2.92 2.01 -1.26 -3.95 115.64 123.66 3ik4 s THR 138 Ca 0.31 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.98 3ik4 s THR 138 Cb -0.13 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3ik4 s THR 138 CO 0.18 0.16 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 3ik4 n ALA 139 N 5.23 0.00 0.00 7.40 0.00 -1.26 -5.02 120.51 126.86 3ik4 n ALA 139 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ik4 n ALA 139 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3ik4 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 140 N 0.00 -2.41 3.48 0.00 0.00 -1.26 -4.62 105.19 100.39 3ik4 n GLY 140 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 3ik4 n GLY 140 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ik4 n ASP 141 N -1.54 -1.06 -0.31 1.61 3.85 -1.26 -4.62 116.55 113.23 3ik4 n ASP 141 Ca 0.00 -1.28 0.15 0.00 -0.71 0.00 0.00 54.79 52.94 3ik4 n ASP 141 Cb 0.00 -0.96 0.39 0.00 -1.35 0.00 0.00 41.12 39.20 3ik4 n ASP 141 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3ik4 h GLU 142 N 0.00 0.64 -0.07 0.11 9.09 -1.91 -1.06 114.58 121.37 3ik4 h GLU 142 Ca -0.40 -0.04 -0.21 0.00 0.05 0.00 0.00 59.36 58.77 3ik4 h GLU 142 Cb 1.16 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3ik4 h GLU 142 CO 0.27 0.42 -0.81 -0.24 0.05 0.00 0.00 179.01 178.70 3ik4 h VAL 143 N 0.65 1.36 0.04 -1.06 3.04 -1.95 -2.65 116.25 115.68 3ik4 h VAL 143 Ca 0.52 -2.20 -0.23 0.00 -1.01 0.00 0.00 66.70 63.78 3ik4 h VAL 143 Cb 0.95 2.18 -0.02 0.00 -2.01 0.00 0.00 31.29 32.39 3ik4 h VAL 143 CO -0.28 0.67 -1.09 0.45 -1.01 0.00 0.00 177.57 176.31 3ik4 h HIS 144 N 0.32 0.17 -0.53 3.17 3.86 -1.79 -2.80 115.15 117.55 3ik4 h HIS 144 Ca -0.05 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 58.92 3ik4 h HIS 144 Cb 1.42 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.86 3ik4 h HIS 144 CO 0.06 1.10 -0.12 0.00 0.86 0.00 0.00 177.93 179.83 3ik4 h ALA 145 N 0.86 0.79 -0.43 2.45 0.00 -1.27 -0.67 119.26 120.99 3ik4 h ALA 145 Ca -0.05 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3ik4 h ALA 145 Cb 1.84 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 3ik4 h ALA 145 CO 0.15 0.67 0.13 0.00 0.00 0.00 0.00 179.25 180.20 3ik4 h ALA 146 N 0.97 0.50 -0.27 0.00 0.00 -1.49 -1.86 119.26 117.10 3ik4 h ALA 146 Ca 0.14 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ik4 h ALA 146 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ik4 h ALA 146 CO 0.05 -0.26 -0.20 0.00 0.00 0.00 0.00 179.25 178.84 3ik4 h ALA 147 N 1.29 1.16 -0.41 0.00 0.00 -1.20 -2.49 119.26 117.61 3ik4 h ALA 147 Ca 0.20 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3ik4 h ALA 147 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ik4 h ALA 147 CO -0.22 0.53 -0.35 0.77 0.00 0.00 0.00 179.25 179.98 3ik4 h SER 148 N 0.44 1.01 -0.72 0.00 0.02 -0.95 -2.10 113.55 111.25 3ik4 h SER 148 Ca 0.07 -0.45 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 3ik4 h SER 148 Cb 0.60 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 3ik4 h SER 148 CO 0.04 1.25 0.46 0.00 -1.14 0.00 0.00 176.83 177.44 3ik4 h ALA 149 N 0.79 0.94 -0.32 3.77 0.00 -1.15 -0.52 119.26 122.76 3ik4 h ALA 149 Ca 0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3ik4 h ALA 149 Cb 0.95 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3ik4 h ALA 149 CO 0.09 0.25 -0.37 0.87 0.00 0.00 0.00 179.25 180.10 3ik4 h LYS 150 N 0.90 0.75 -0.16 0.00 1.79 -1.42 -1.78 116.57 116.65 3ik4 h LYS 150 Ca 0.28 -0.37 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 3ik4 h LYS 150 Cb -0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3ik4 h LYS 150 CO -0.10 0.99 -0.15 0.00 -1.08 0.00 0.00 179.45 179.11 3ik4 h ALA 151 N 0.97 1.45 0.03 3.86 0.00 -0.99 -0.28 119.26 124.30 3ik4 h ALA 151 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ik4 h ALA 151 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ik4 h ALA 151 CO 0.08 0.38 -0.02 0.82 0.00 0.00 0.00 179.25 180.52 3ik4 h ILE 152 N 0.25 1.33 -0.72 0.00 2.04 -0.87 -2.75 117.51 116.78 3ik4 h ILE 152 Ca 0.05 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 3ik4 h ILE 152 Cb 0.42 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3ik4 h ILE 152 CO 0.03 0.31 0.39 -0.07 0.00 0.00 0.00 178.15 178.81 3ik4 h LEU 153 N -0.59 0.89 -1.68 1.44 4.07 -1.23 -1.98 115.31 116.23 3ik4 h LEU 153 Ca -0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 3ik4 h LEU 153 Cb 0.54 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 3ik4 h LEU 153 CO 0.01 0.72 -0.15 0.00 -1.08 0.00 0.00 178.44 177.94 3ik4 h ALA 154 N 1.42 1.19 0.00 1.53 0.00 -1.10 -2.26 119.26 120.04 3ik4 h ALA 154 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ik4 h ALA 154 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ik4 h ALA 154 CO -0.04 0.19 0.00 -2.13 0.00 0.00 0.00 179.25 177.27 3ik4 n ARG 155 N -3.55 0.06 -0.96 0.00 0.63 -0.76 -4.90 116.66 107.17 3ik4 n ARG 155 Ca -0.01 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3ik4 n ARG 155 Cb 0.30 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3ik4 n ARG 155 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ik4 n GLY 156 N 1.10 0.92 3.66 5.14 0.00 -0.85 -4.33 105.19 110.83 3ik4 n GLY 156 Ca 0.07 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3ik4 n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ik4 s ILE 157 N -2.00 4.68 -0.06 -0.61 1.01 -1.09 -2.90 121.20 120.23 3ik4 s ILE 157 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 60.65 60.70 3ik4 s ILE 157 Cb 0.00 -3.07 -0.22 0.00 0.01 0.00 0.00 42.46 39.18 3ik4 s ILE 157 CO 0.00 0.51 0.66 0.29 0.00 0.00 0.00 174.94 176.39 3ik4 n LYS 158 N 3.10 0.63 -4.25 2.79 4.01 -1.26 -4.15 118.16 119.03 3ik4 n LYS 158 Ca -0.17 0.27 -0.20 0.00 -0.51 0.00 0.00 58.31 57.70 3ik4 n LYS 158 Cb 0.53 -1.78 -0.12 0.00 -0.51 0.00 0.00 35.03 33.15 3ik4 n LYS 158 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3ik4 s SER 159 N -6.01 2.17 0.07 4.39 1.04 -1.26 -4.02 113.70 110.08 3ik4 s SER 159 Ca -0.05 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.68 3ik4 s SER 159 Cb 0.08 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 3ik4 s SER 159 CO 0.82 -0.08 -0.16 0.27 0.98 0.00 0.00 173.24 175.08 3ik4 s ILE 160 N -1.80 1.30 -0.17 -1.02 -4.36 -0.95 -2.54 121.20 111.67 3ik4 s ILE 160 Ca 0.08 -1.29 -0.03 0.00 -0.26 0.00 0.00 60.65 59.16 3ik4 s ILE 160 Cb -0.07 -1.20 -0.02 0.00 1.25 0.00 0.00 42.46 42.42 3ik4 s ILE 160 CO 0.04 -0.10 -0.07 -0.75 0.24 0.00 0.00 174.94 174.30 3ik4 s LYS 161 N -1.60 3.49 -0.23 0.37 2.20 0.11 -1.37 119.74 122.71 3ik4 s LYS 161 Ca 0.02 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 3ik4 s LYS 161 Cb -0.09 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.36 3ik4 s LYS 161 CO 0.02 0.09 -0.02 0.08 -0.36 0.00 0.00 175.35 175.17 3ik4 s VAL 162 N 0.73 3.50 -0.05 4.02 1.01 0.12 -0.96 120.40 128.76 3ik4 s VAL 162 Ca -0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3ik4 s VAL 162 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3ik4 s VAL 162 CO 0.02 0.36 0.97 -0.75 0.00 0.00 0.00 175.10 175.69 3ik4 s LYS 163 N 1.48 4.48 0.21 2.72 2.20 -1.25 0.05 119.74 129.64 3ik4 s LYS 163 Ca 0.05 1.35 0.10 0.00 -0.36 0.00 0.00 55.97 57.11 3ik4 s LYS 163 Cb -0.15 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 3ik4 s LYS 163 CO -0.02 -0.16 -0.12 0.95 -0.36 0.00 0.00 175.35 175.64 3ik4 s THR 164 N 1.45 2.99 -0.08 3.43 -4.23 -0.32 -4.83 115.64 114.05 3ik4 s THR 164 Ca 0.49 -1.88 0.13 0.00 -1.18 0.00 0.00 61.69 59.25 3ik4 s THR 164 Cb -0.19 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 3ik4 s THR 164 CO 0.23 -0.21 1.28 0.00 -0.54 0.00 0.00 174.62 175.38 3ik4 h ALA 165 N 2.66 0.60 0.00 3.99 0.00 -1.86 -3.39 119.26 121.26 3ik4 h ALA 165 Ca -0.45 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3ik4 h ALA 165 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ik4 h ALA 165 CO 0.55 0.85 0.00 0.41 0.00 0.00 0.00 179.25 181.06 3ik4 n GLY 166 N 1.29 1.36 0.16 0.00 0.00 -1.26 -4.30 105.19 102.45 3ik4 n GLY 166 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3ik4 n GLY 166 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ik4 h VAL 167 N 0.00 0.30 -2.43 1.61 -1.51 -1.94 -3.33 116.25 108.95 3ik4 h VAL 167 Ca 0.00 -1.46 -0.37 0.00 -1.23 0.00 0.00 66.70 63.64 3ik4 h VAL 167 Cb 0.00 2.02 -0.36 0.00 -2.13 0.00 0.00 31.29 30.82 3ik4 h VAL 167 CO 0.00 0.17 -0.66 -0.62 -1.23 0.00 0.00 177.57 175.23 3ik4 s ASP 168 N -6.05 1.95 0.23 4.19 2.15 -1.26 -5.03 116.67 112.85 3ik4 s ASP 168 Ca 0.03 -0.67 -0.06 0.00 0.43 0.00 0.00 52.55 52.29 3ik4 s ASP 168 Cb 0.07 0.28 0.36 0.00 -0.30 0.00 0.00 42.92 43.33 3ik4 s ASP 168 CO 0.73 -0.38 1.78 0.58 -0.17 0.00 0.00 175.17 177.72 3ik4 h VAL 169 N 6.31 0.85 -0.63 1.11 2.07 -1.90 -2.22 116.25 121.86 3ik4 h VAL 169 Ca -0.16 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3ik4 h VAL 169 Cb 1.09 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3ik4 h VAL 169 CO 0.34 0.12 0.20 0.00 0.02 0.00 0.00 177.57 178.24 3ik4 h ALA 170 N 1.44 0.82 -0.27 1.67 0.00 -1.98 -0.25 119.26 120.70 3ik4 h ALA 170 Ca 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ik4 h ALA 170 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ik4 h ALA 170 CO -0.27 0.49 0.08 -0.92 0.00 0.00 0.00 179.25 178.63 3ik4 h TYR 171 N 0.90 0.43 -0.45 0.00 3.20 -1.91 -1.66 116.97 117.49 3ik4 h TYR 171 Ca 0.20 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3ik4 h TYR 171 Cb 0.29 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3ik4 h TYR 171 CO 0.02 0.48 0.21 -0.44 -1.64 0.00 0.00 178.16 176.79 3ik4 h ASP 172 N 0.27 0.59 -0.40 -2.11 3.32 -1.27 -2.54 116.42 114.28 3ik4 h ASP 172 Ca 0.09 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3ik4 h ASP 172 Cb 0.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ik4 h ASP 172 CO -0.00 0.55 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.98 3ik4 h LEU 173 N 0.58 0.71 -0.88 1.55 3.38 -1.02 -1.02 115.31 118.60 3ik4 h LEU 173 Ca 0.15 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.90 3ik4 h LEU 173 Cb 0.12 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3ik4 h LEU 173 CO -0.02 0.86 0.53 0.00 0.09 0.00 0.00 178.44 179.89 3ik4 h ALA 174 N 0.88 1.27 -0.51 1.53 0.00 -1.30 0.68 119.26 121.81 3ik4 h ALA 174 Ca 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3ik4 h ALA 174 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ik4 h ALA 174 CO 0.02 0.17 0.09 0.00 0.00 0.00 0.00 179.25 179.53 3ik4 h ARG 175 N 0.88 0.84 -0.39 0.00 3.08 -1.18 -1.57 114.38 116.04 3ik4 h ARG 175 Ca 0.42 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 3ik4 h ARG 175 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3ik4 h ARG 175 CO -0.24 0.83 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.20 3ik4 h LEU 176 N 0.72 0.86 -0.59 3.04 3.38 -0.46 -1.38 115.31 120.88 3ik4 h LEU 176 Ca 0.15 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3ik4 h LEU 176 Cb 0.39 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3ik4 h LEU 176 CO 0.01 1.09 0.28 0.03 0.09 0.00 0.00 178.44 179.94 3ik4 h ARG 177 N 0.63 0.50 -0.12 1.13 3.08 0.37 -0.22 114.38 119.75 3ik4 h ARG 177 Ca 0.08 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3ik4 h ARG 177 Cb 0.78 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3ik4 h ARG 177 CO 0.06 0.33 0.08 0.00 -1.07 0.00 0.00 179.97 179.37 3ik4 h ALA 178 N 1.35 0.16 -0.53 0.04 0.00 -1.18 -0.84 119.26 118.26 3ik4 h ALA 178 Ca 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ik4 h ALA 178 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ik4 h ALA 178 CO -0.23 -0.33 0.20 0.82 0.00 0.00 0.00 179.25 179.71 3ik4 h ILE 179 N 0.14 1.22 -0.45 0.00 2.04 -0.93 -1.25 117.51 118.28 3ik4 h ILE 179 Ca 0.04 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 3ik4 h ILE 179 Cb 0.03 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3ik4 h ILE 179 CO -0.01 0.27 -0.12 -0.74 0.00 0.00 0.00 178.15 177.55 3ik4 h HIS 180 N 0.72 0.91 -0.77 1.37 2.76 -1.00 -1.01 115.15 118.12 3ik4 h HIS 180 Ca 0.17 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3ik4 h HIS 180 Cb 0.22 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 3ik4 h HIS 180 CO 0.01 0.89 0.27 0.37 -1.30 0.00 0.00 177.93 178.17 3ik4 h GLN 181 N 0.74 1.18 0.00 5.26 4.15 -0.88 -1.63 115.11 123.93 3ik4 h GLN 181 Ca 0.12 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.20 3ik4 h GLN 181 Cb 0.62 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3ik4 h GLN 181 CO 0.04 0.99 -0.47 0.00 -1.93 0.00 0.00 178.83 177.46 3ik4 h ALA 182 N 1.14 0.86 -1.76 3.38 0.00 -1.01 -3.38 119.26 118.49 3ik4 h ALA 182 Ca 0.25 -0.43 -0.46 0.00 0.00 0.00 0.00 54.91 54.27 3ik4 h ALA 182 Cb 0.28 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.67 3ik4 h ALA 182 CO -0.01 0.59 -0.88 0.00 0.00 0.00 0.00 179.25 178.94 3ik4 n ALA 183 N -2.29 1.44 0.48 0.00 0.00 -0.40 -4.62 120.51 115.11 3ik4 n ALA 183 Ca 0.00 -2.64 0.09 0.00 0.00 0.00 0.00 53.44 50.89 3ik4 n ALA 183 Cb 0.61 -0.96 0.37 0.00 0.00 0.00 0.00 19.45 19.47 3ik4 n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ik4 n PRO 184 N 2.30 0.06 0.01 0.00 -0.02 -0.62 -2.37 135.00 134.37 3ik4 n PRO 184 Ca 0.23 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3ik4 n PRO 184 Cb 0.53 -1.62 0.02 0.00 -0.02 0.00 0.00 33.50 32.41 3ik4 n PRO 184 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3ik4 n THR 185 N -1.74 0.05 -2.61 3.45 5.66 -1.26 -4.92 114.28 112.91 3ik4 n THR 185 Ca 0.03 -0.09 -0.43 0.00 -3.05 0.00 0.00 64.05 60.51 3ik4 n THR 185 Cb 0.19 0.52 -0.02 0.00 -1.55 0.00 0.00 70.33 69.47 3ik4 n THR 185 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ik4 s ALA 186 N -3.08 3.59 0.41 1.79 0.00 -1.00 -5.03 121.76 118.44 3ik4 s ALA 186 Ca 0.07 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 3ik4 s ALA 186 Cb 0.16 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3ik4 s ALA 186 CO 0.80 -0.92 1.20 -1.25 0.00 0.00 0.00 175.76 175.60 3ik4 s PRO 187 N 2.82 3.99 -0.10 0.00 0.04 -1.26 -4.88 135.00 135.62 3ik4 s PRO 187 Ca 0.48 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.47 3ik4 s PRO 187 Cb -0.18 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3ik4 s PRO 187 CO 0.12 -0.39 -0.23 -0.51 0.04 0.00 0.00 177.00 176.03 3ik4 s LEU 188 N -2.54 2.07 -0.26 -3.56 1.43 -0.06 -2.23 118.68 113.53 3ik4 s LEU 188 Ca 0.58 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3ik4 s LEU 188 Cb -0.32 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 3ik4 s LEU 188 CO 0.41 0.16 0.05 -0.63 0.23 0.00 0.00 176.35 176.56 3ik4 s ILE 189 N 0.34 3.97 -0.31 -0.59 1.01 -0.47 -0.03 121.20 125.11 3ik4 s ILE 189 Ca -0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 3ik4 s ILE 189 Cb -0.18 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 3ik4 s ILE 189 CO 0.09 0.26 0.20 -0.69 0.00 0.00 0.00 174.94 174.80 3ik4 s VAL 190 N 1.54 5.13 -0.68 2.92 1.01 0.30 -0.70 120.40 129.93 3ik4 s VAL 190 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 3ik4 s VAL 190 Cb -0.16 -3.55 0.12 0.00 0.00 0.00 0.00 36.38 32.79 3ik4 s VAL 190 CO 0.02 0.11 0.79 -0.62 0.00 0.00 0.00 175.10 175.40 3ik4 s ASP 191 N 1.71 6.32 0.38 3.32 2.15 0.11 0.11 116.67 130.77 3ik4 s ASP 191 Ca 0.06 -1.65 0.28 0.00 0.43 0.00 0.00 52.55 51.67 3ik4 s ASP 191 Cb -0.17 -2.31 0.98 0.00 -0.30 0.00 0.00 42.92 41.12 3ik4 s ASP 191 CO 0.10 -1.07 1.80 1.23 -0.17 0.00 0.00 175.17 177.06 3ik4 h GLY 192 N 9.87 0.00 -4.59 2.66 0.00 -1.50 -0.83 103.07 108.67 3ik4 h GLY 192 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.80 3ik4 h GLY 192 CO 1.07 0.00 -0.56 -2.01 0.00 0.00 0.00 176.54 175.03 3ik4 n ASN 193 N -2.69 -5.71 -0.47 0.19 5.15 -1.17 -1.88 115.26 108.68 3ik4 n ASN 193 Ca 0.02 -0.36 -0.06 0.00 -0.60 0.00 0.00 54.58 53.58 3ik4 n ASN 193 Cb 0.34 -4.43 -0.03 0.00 -0.53 0.00 0.00 39.78 35.13 3ik4 n ASN 193 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ik4 h GLY 195 N 0.00 0.00 -1.40 0.00 0.00 -0.84 -3.26 103.07 97.57 3ik4 h GLY 195 Ca -0.13 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.70 3ik4 h GLY 195 CO 0.18 0.00 0.36 -0.19 0.00 0.00 0.00 176.54 176.89 3ik4 s TYR 196 N -3.33 3.52 0.53 5.60 2.02 0.38 -4.01 117.35 122.06 3ik4 s TYR 196 Ca 0.01 1.12 0.06 0.00 -0.37 0.00 0.00 57.07 57.89 3ik4 s TYR 196 Cb 0.09 -2.74 0.04 0.00 -0.40 0.00 0.00 41.96 38.95 3ik4 s TYR 196 CO 0.77 -0.75 0.44 0.16 -1.57 0.00 0.00 175.55 174.59 3ik4 s ASP 197 N -4.22 4.70 0.17 2.29 3.84 -1.26 -4.48 116.67 117.71 3ik4 s ASP 197 Ca 0.54 -1.16 -0.15 0.00 -0.00 0.00 0.00 52.55 51.78 3ik4 s ASP 197 Cb -0.11 0.31 0.11 0.00 -1.38 0.00 0.00 42.92 41.85 3ik4 s ASP 197 CO 0.51 -1.08 1.72 0.58 -0.00 0.00 0.00 175.17 176.90 3ik4 h VAL 198 N 0.73 0.77 -0.34 2.11 2.07 -1.96 0.46 116.25 120.08 3ik4 h VAL 198 Ca -0.37 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 66.95 3ik4 h VAL 198 Cb 1.30 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3ik4 h VAL 198 CO 0.56 0.03 -0.36 1.05 0.02 0.00 0.00 177.57 178.87 3ik4 h GLU 199 N 0.18 0.84 -0.33 1.57 4.11 -1.99 -1.57 114.58 117.40 3ik4 h GLU 199 Ca 0.20 -0.45 -0.07 0.00 0.07 0.00 0.00 59.36 59.11 3ik4 h GLU 199 Cb 0.25 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3ik4 h GLU 199 CO -0.27 1.09 -0.09 0.00 0.07 0.00 0.00 179.01 179.81 3ik4 h ARG 200 N 0.63 0.54 -0.32 1.06 3.08 -1.90 0.09 114.38 117.57 3ik4 h ARG 200 Ca 0.05 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3ik4 h ARG 200 Cb 0.94 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3ik4 h ARG 200 CO 0.09 0.64 -0.14 0.00 -1.07 0.00 0.00 179.97 179.48 3ik4 h ALA 201 N 1.40 0.45 -0.13 0.04 0.00 -0.78 -1.66 119.26 118.58 3ik4 h ALA 201 Ca 0.10 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 3ik4 h ALA 201 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ik4 h ALA 201 CO 0.02 0.35 -0.63 -0.07 0.00 0.00 0.00 179.25 178.92 3ik4 h LEU 202 N 0.43 0.56 -0.35 0.00 3.38 -1.16 -1.58 115.31 116.59 3ik4 h LEU 202 Ca 0.07 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3ik4 h LEU 202 Cb 0.67 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3ik4 h LEU 202 CO 0.04 1.05 -0.04 0.00 0.09 0.00 0.00 178.44 179.58 3ik4 h ALA 203 N 0.95 0.48 -0.65 1.53 0.00 -1.01 -0.55 119.26 120.01 3ik4 h ALA 203 Ca -0.01 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3ik4 h ALA 203 Cb 1.19 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3ik4 h ALA 203 CO 0.11 0.29 0.35 0.35 0.00 0.00 0.00 179.25 180.35 3ik4 h PHE 204 N 0.46 0.63 -0.13 0.00 3.04 -1.20 -2.86 116.94 116.88 3ik4 h PHE 204 Ca 0.10 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.86 3ik4 h PHE 204 Cb 0.52 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.85 3ik4 h PHE 204 CO 0.04 0.28 -0.75 0.00 -2.02 0.00 0.00 178.31 175.87 3ik4 h ALA 206 N 0.70 1.60 0.07 0.00 0.00 -1.01 -1.12 119.26 119.51 3ik4 h ALA 206 Ca -0.04 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 3ik4 h ALA 206 Cb 1.36 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3ik4 h ALA 206 CO 0.15 0.29 -1.11 0.00 0.00 0.00 0.00 179.25 178.58 3ik4 h ALA 207 N 1.73 0.20 -0.57 0.00 0.00 -1.50 -1.80 119.26 117.32 3ik4 h ALA 207 Ca 0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 3ik4 h ALA 207 Cb 0.34 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3ik4 h ALA 207 CO 0.02 0.84 0.24 0.00 0.00 0.00 0.00 179.25 180.36 3ik4 h LYS 209 N 0.82 -0.04 -0.28 0.00 3.64 -1.23 0.42 116.57 119.90 3ik4 h LYS 209 Ca 0.20 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3ik4 h LYS 209 Cb 0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3ik4 h LYS 209 CO -0.02 0.63 0.08 0.00 -2.27 0.00 0.00 179.45 177.87 3ik4 h ALA 210 N 0.14 1.62 -0.39 5.00 0.00 -1.32 -2.16 119.26 122.14 3ik4 h ALA 210 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ik4 h ALA 210 Cb 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ik4 h ALA 210 CO 0.01 0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.94 3ik4 n GLU 211 N -4.39 2.38 -3.78 0.00 1.02 -0.68 -4.99 120.64 110.19 3ik4 n GLU 211 Ca 0.01 -2.09 -0.31 0.00 -0.02 0.00 0.00 57.16 54.75 3ik4 n GLU 211 Cb 0.16 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.11 3ik4 n GLU 211 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ik4 n SER 212 N 1.28 -3.77 -4.65 1.62 3.41 -0.78 -4.97 113.62 105.77 3ik4 n SER 212 Ca 0.19 -1.03 -0.40 0.00 -0.26 0.00 0.00 58.87 57.37 3ik4 n SER 212 Cb 0.55 -3.19 -0.06 0.00 -0.26 0.00 0.00 64.21 61.25 3ik4 n SER 212 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ik4 s ILE 213 N -3.61 5.00 -0.96 -1.33 1.01 0.14 -4.97 121.20 116.49 3ik4 s ILE 213 Ca 0.34 1.20 -0.06 0.00 0.00 0.00 0.00 60.65 62.12 3ik4 s ILE 213 Cb -0.13 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 3ik4 s ILE 213 CO 0.88 0.08 2.27 -0.81 0.00 0.00 0.00 174.94 177.35 3ik4 n PRO 214 N 5.24 2.27 -2.19 2.79 -0.04 -1.26 -4.73 135.00 137.07 3ik4 n PRO 214 Ca -0.01 -1.51 -0.43 0.00 -0.04 0.00 0.00 63.50 61.52 3ik4 n PRO 214 Cb 0.49 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 3ik4 n PRO 214 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3ik4 s MET 215 N 3.10 4.04 -0.02 0.54 1.75 -1.26 -0.88 119.30 126.56 3ik4 s MET 215 Ca 0.44 1.78 0.21 0.00 -1.25 0.00 0.00 55.69 56.88 3ik4 s MET 215 Cb 0.12 -3.93 -0.28 0.00 2.84 0.00 0.00 34.83 33.57 3ik4 s MET 215 CO -0.04 -0.98 0.50 1.33 -0.65 0.00 0.00 175.02 175.18 3ik4 n VAL 216 N 5.82 0.30 -3.70 10.11 0.24 0.95 -4.90 118.33 127.15 3ik4 n VAL 216 Ca 0.17 -0.56 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 3ik4 n VAL 216 Cb 0.44 -0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.58 3ik4 n VAL 216 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3ik4 s LEU 217 N -4.79 0.01 -0.45 1.34 2.96 -1.22 -4.36 118.68 112.17 3ik4 s LEU 217 Ca -0.07 0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 54.55 3ik4 s LEU 217 Cb 0.12 1.20 0.10 0.00 0.50 0.00 0.00 46.19 48.11 3ik4 s LEU 217 CO 0.88 -0.19 0.31 0.12 -1.32 0.00 0.00 176.35 176.16 3ik4 s PHE 218 N 1.40 3.37 -0.08 5.38 5.36 -0.52 -0.54 117.98 132.36 3ik4 s PHE 218 Ca -0.09 -1.66 -0.21 0.00 -0.96 0.00 0.00 56.93 54.01 3ik4 s PHE 218 Cb -0.09 -3.24 -0.04 0.00 -0.34 0.00 0.00 43.02 39.31 3ik4 s PHE 218 CO -0.12 -0.92 0.59 -2.00 -1.46 0.00 0.00 175.22 171.31 3ik4 s GLU 219 N 1.41 4.38 -0.25 10.12 2.12 0.12 -1.15 118.70 135.44 3ik4 s GLU 219 Ca 0.04 0.67 -0.04 0.00 0.36 0.00 0.00 54.97 56.01 3ik4 s GLU 219 Cb -0.25 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.72 3ik4 s GLU 219 CO 0.01 0.15 0.16 0.94 -0.54 0.00 0.00 175.26 175.98 3ik4 n GLN 220 N 3.57 -0.58 0.24 4.30 -0.06 0.36 -1.60 117.38 123.61 3ik4 n GLN 220 Ca -0.05 -0.04 0.10 0.00 -2.00 0.00 0.00 57.00 55.02 3ik4 n GLN 220 Cb 0.51 -0.31 0.61 0.00 -4.06 0.00 0.00 30.24 26.99 3ik4 n GLN 220 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3ik4 h PRO 221 N 1.05 0.00 -6.21 3.69 0.13 -1.84 0.11 132.00 128.93 3ik4 h PRO 221 Ca -0.17 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.38 3ik4 h PRO 221 Cb 0.36 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.31 3ik4 h PRO 221 CO 0.11 0.18 -0.80 -0.51 -0.23 0.00 0.00 178.00 176.75 3ik4 s LEU 222 N -7.38 2.43 0.74 1.56 1.02 -1.26 -0.47 118.68 115.31 3ik4 s LEU 222 Ca -0.02 -0.85 -0.16 0.00 0.02 0.00 0.00 54.13 53.12 3ik4 s LEU 222 Cb 0.13 -0.96 0.02 0.00 0.02 0.00 0.00 46.19 45.39 3ik4 s LEU 222 CO 0.62 0.03 1.01 -2.65 0.02 0.00 0.00 176.35 175.38 3ik4 n PRO 223 N 0.34 0.47 -0.28 1.29 -0.02 -1.23 -4.46 135.00 131.12 3ik4 n PRO 223 Ca -0.13 0.22 0.08 0.00 -2.02 0.00 0.00 63.50 61.65 3ik4 n PRO 223 Cb 0.56 -2.26 0.23 0.00 -0.02 0.00 0.00 33.50 32.01 3ik4 n PRO 223 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ik4 h ARG 224 N -0.34 0.39 0.00 -0.52 2.43 -1.94 -2.60 114.38 111.80 3ik4 h ARG 224 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3ik4 h ARG 224 Cb 1.33 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3ik4 h ARG 224 CO 0.47 0.26 0.00 -0.85 -1.51 0.00 0.00 179.97 178.34 3ik4 n GLU 225 N -5.04 0.81 -3.10 0.20 0.00 -1.26 -3.63 120.64 108.60 3ik4 n GLU 225 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.96 3ik4 n GLU 225 Cb 0.51 -1.41 -0.02 0.00 0.00 0.00 0.00 31.44 30.52 3ik4 n GLU 225 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3ik4 n ASP 226 N -0.91 5.60 -0.23 -1.84 4.64 -0.98 -4.84 116.55 117.99 3ik4 n ASP 226 Ca 0.16 -3.46 -0.09 0.00 -1.38 0.00 0.00 54.79 50.03 3ik4 n ASP 226 Cb 0.07 -1.05 0.03 0.00 -1.04 0.00 0.00 41.12 39.14 3ik4 n ASP 226 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 3ik4 h TRP 227 N 4.84 1.17 -0.35 -0.67 4.06 -1.82 0.17 115.95 123.35 3ik4 h TRP 227 Ca 0.22 -0.18 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 3ik4 h TRP 227 Cb 0.60 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3ik4 h TRP 227 CO 0.94 1.00 0.10 0.00 -3.56 0.00 0.00 178.44 176.92 3ik4 h ALA 228 N 1.02 0.46 -0.41 1.49 0.00 -1.93 -1.45 119.26 118.43 3ik4 h ALA 228 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ik4 h ALA 228 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ik4 h ALA 228 CO 0.02 0.12 0.24 0.78 0.00 0.00 0.00 179.25 180.41 3ik4 h GLY 229 N 0.41 0.61 0.84 0.00 0.00 -1.92 -0.37 103.07 102.63 3ik4 h GLY 229 Ca 0.11 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.22 3ik4 h GLY 229 CO -0.00 0.25 0.39 -0.33 0.00 0.00 0.00 176.54 176.85 3ik4 h MET 230 N 0.54 0.74 -0.76 4.80 2.07 -0.93 -0.26 114.93 121.13 3ik4 h MET 230 Ca 0.15 -0.04 0.05 0.00 -2.07 0.00 0.00 59.70 57.78 3ik4 h MET 230 Cb 0.02 -0.17 -0.05 0.00 -1.87 0.00 0.00 31.60 29.53 3ik4 h MET 230 CO -0.03 0.49 0.46 0.00 1.07 0.00 0.00 176.91 178.91 3ik4 h ALA 231 N 1.29 1.02 0.21 6.32 0.00 -1.05 0.18 119.26 127.23 3ik4 h ALA 231 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ik4 h ALA 231 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ik4 h ALA 231 CO -0.12 0.21 -0.10 1.96 0.00 0.00 0.00 179.25 181.20 3ik4 h GLN 232 N 0.88 -0.28 -0.56 0.00 4.20 -0.52 -0.99 115.11 117.83 3ik4 h GLN 232 Ca 0.32 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.08 3ik4 h GLN 232 Cb 0.11 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 3ik4 h GLN 232 CO -0.15 -0.16 0.34 0.28 -0.67 0.00 0.00 178.83 178.47 3ik4 h VAL 233 N -0.31 1.06 -0.94 -0.54 2.07 -0.97 0.90 116.25 117.52 3ik4 h VAL 233 Ca -0.03 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3ik4 h VAL 233 Cb 0.24 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3ik4 h VAL 233 CO 0.05 0.12 0.61 0.74 0.02 0.00 0.00 177.57 179.11 3ik4 h THR 234 N 0.67 1.24 -0.00 2.57 2.02 -0.88 -2.26 112.91 116.28 3ik4 h THR 234 Ca 0.23 -0.46 -0.24 0.00 0.77 0.00 0.00 66.41 66.71 3ik4 h THR 234 Cb 0.02 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.31 3ik4 h THR 234 CO -0.10 0.24 -0.96 0.00 0.37 0.00 0.00 175.52 175.07 3ik4 h ALA 235 N 1.34 0.30 0.03 6.16 0.00 -0.89 -3.41 119.26 122.79 3ik4 h ALA 235 Ca 0.34 -0.70 -0.36 0.00 0.00 0.00 0.00 54.91 54.19 3ik4 h ALA 235 Cb -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3ik4 h ALA 235 CO -0.07 0.78 -2.17 0.94 0.00 0.00 0.00 179.25 178.72 3ik4 n GLN 236 N -3.78 0.68 0.13 0.00 -0.06 0.28 -4.53 117.38 110.10 3ik4 n GLN 236 Ca -0.08 0.17 -0.00 0.00 -2.00 0.00 0.00 57.00 55.09 3ik4 n GLN 236 Cb 0.84 -1.63 0.27 0.00 -4.06 0.00 0.00 30.24 25.67 3ik4 n GLN 236 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3ik4 h SER 237 N 0.02 0.15 0.00 1.69 4.64 -1.61 -3.47 113.55 114.97 3ik4 h SER 237 Ca -0.47 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3ik4 h SER 237 Cb 2.05 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 3ik4 h SER 237 CO 0.02 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 3ik4 n GLY 238 N -0.29 0.78 3.63 -0.77 0.00 -1.26 -4.81 105.19 102.46 3ik4 n GLY 238 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3ik4 n GLY 238 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ik4 s PHE 239 N -2.89 2.95 0.29 1.61 0.40 -1.26 -5.10 117.98 113.98 3ik4 s PHE 239 Ca 0.00 -0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 56.03 3ik4 s PHE 239 Cb 0.00 -1.60 -0.13 0.00 0.51 0.00 0.00 43.02 41.79 3ik4 s PHE 239 CO 0.00 0.42 1.20 0.00 0.70 0.00 0.00 175.22 177.53 3ik4 n ALA 240 N 1.31 0.52 -3.06 5.36 0.00 -1.26 -4.86 120.51 118.52 3ik4 n ALA 240 Ca -0.14 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 3ik4 n ALA 240 Cb 0.52 -2.15 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 3ik4 n ALA 240 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ik4 s VAL 241 N -0.81 1.21 -0.02 0.00 1.01 -1.26 -1.44 120.40 119.08 3ik4 s VAL 241 Ca 0.60 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3ik4 s VAL 241 Cb -0.66 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3ik4 s VAL 241 CO 0.58 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 176.02 3ik4 s ALA 242 N 0.21 3.21 -0.05 5.51 0.00 -0.30 -0.44 121.76 129.90 3ik4 s ALA 242 Ca -0.06 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 3ik4 s ALA 242 Cb -0.12 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 3ik4 s ALA 242 CO 0.02 0.62 0.30 0.00 0.00 0.00 0.00 175.76 176.70 3ik4 s ALA 243 N -1.00 3.76 0.00 0.00 0.00 0.27 -0.49 121.76 124.30 3ik4 s ALA 243 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3ik4 s ALA 243 Cb -0.11 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.78 3ik4 s ALA 243 CO 0.07 0.52 0.00 -3.47 0.00 0.00 0.00 175.76 172.88 3ik4 n ASP 244 N 1.96 0.00 -0.22 0.00 2.03 -1.26 -0.33 116.55 118.73 3ik4 n ASP 244 Ca -0.16 0.00 0.28 0.00 0.52 0.00 0.00 54.79 55.43 3ik4 n ASP 244 Cb 0.53 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.62 3ik4 n ASP 244 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3ik4 h GLU 245 N 0.00 0.07 -0.00 -0.67 3.07 -1.94 -1.51 114.58 113.60 3ik4 h GLU 245 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ik4 h GLU 245 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3ik4 h GLU 245 CO 0.00 0.05 -0.07 0.43 -1.40 0.00 0.00 179.01 178.01 3ik4 n SER 246 N -4.31 0.43 -3.53 1.42 7.64 -1.26 -4.46 113.62 109.55 3ik4 n SER 246 Ca 0.20 -0.66 -0.27 0.00 1.01 0.00 0.00 58.87 59.15 3ik4 n SER 246 Cb 0.97 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.99 3ik4 n SER 246 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ik4 n ALA 247 N -0.91 3.08 0.56 -0.43 0.00 -0.57 -4.72 120.51 117.53 3ik4 n ALA 247 Ca 0.16 -3.70 0.06 0.00 0.00 0.00 0.00 53.44 49.96 3ik4 n ALA 247 Cb 0.26 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 3ik4 n ALA 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ik4 n ARG 248 N 2.27 2.65 -4.05 0.00 5.12 -1.26 -4.77 116.66 116.62 3ik4 n ARG 248 Ca 0.26 -0.25 -0.10 0.00 -1.93 0.00 0.00 57.85 55.83 3ik4 n ARG 248 Cb 0.44 -1.10 -0.08 0.00 -1.16 0.00 0.00 32.46 30.56 3ik4 n ARG 248 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3ik4 s SER 249 N -1.94 0.07 0.40 0.55 1.04 -1.26 -4.33 113.70 108.24 3ik4 s SER 249 Ca 0.07 -1.05 0.13 0.00 0.48 0.00 0.00 55.95 55.57 3ik4 s SER 249 Cb 0.09 0.44 0.84 0.00 0.10 0.00 0.00 66.02 67.49 3ik4 s SER 249 CO 0.43 -0.91 1.90 0.00 0.98 0.00 0.00 173.24 175.64 3ik4 h ALA 250 N 2.54 1.53 -0.35 5.32 0.00 -1.94 -2.50 119.26 123.85 3ik4 h ALA 250 Ca -0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 3ik4 h ALA 250 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ik4 h ALA 250 CO 0.48 0.36 0.07 1.25 0.00 0.00 0.00 179.25 181.40 3ik4 h HIS 251 N 0.03 0.61 -0.48 0.00 -0.00 -1.97 -1.17 115.15 112.15 3ik4 h HIS 251 Ca 0.00 -0.08 0.06 0.00 -0.00 0.00 0.00 60.37 60.36 3ik4 h HIS 251 Cb 0.49 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.68 3ik4 h HIS 251 CO 0.00 0.62 0.17 -0.44 -0.00 0.00 0.00 177.93 178.28 3ik4 h ASP 252 N 0.41 0.18 -0.23 3.26 3.45 -1.78 -1.26 116.42 120.46 3ik4 h ASP 252 Ca 0.11 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.56 3ik4 h ASP 252 Cb 0.33 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3ik4 h ASP 252 CO 0.00 0.13 -0.06 0.58 -1.57 0.00 0.00 179.24 178.32 3ik4 h VAL 253 N 0.35 1.23 0.02 -1.35 2.07 -1.15 -0.38 116.25 117.03 3ik4 h VAL 253 Ca 0.23 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3ik4 h VAL 253 Cb 0.24 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3ik4 h VAL 253 CO -0.23 0.32 -0.01 -0.07 0.02 0.00 0.00 177.57 177.60 3ik4 h LEU 254 N 0.54 -0.03 -0.88 2.57 3.38 -0.80 -1.72 115.31 118.38 3ik4 h LEU 254 Ca 0.11 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3ik4 h LEU 254 Cb 0.44 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3ik4 h LEU 254 CO 0.02 0.05 0.54 -0.09 0.09 0.00 0.00 178.44 179.05 3ik4 h ARG 255 N -0.09 0.91 0.02 1.13 2.43 -0.72 -1.39 114.38 116.67 3ik4 h ARG 255 Ca -0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ik4 h ARG 255 Cb 0.09 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3ik4 h ARG 255 CO 0.01 0.60 -0.01 0.82 -1.51 0.00 0.00 179.97 179.88 3ik4 h ILE 256 N 0.94 1.07 -0.68 1.20 2.04 -0.93 0.23 117.51 121.38 3ik4 h ILE 256 Ca 0.40 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 66.14 3ik4 h ILE 256 Cb 0.27 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.50 3ik4 h ILE 256 CO -0.21 0.06 0.21 0.00 0.00 0.00 0.00 178.15 178.21 3ik4 h ALA 257 N 0.85 0.88 -0.02 1.87 0.00 -1.22 0.75 119.26 122.37 3ik4 h ALA 257 Ca -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ik4 h ALA 257 Cb 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ik4 h ALA 257 CO 0.00 -0.26 -0.01 -0.09 0.00 0.00 0.00 179.25 178.89 3ik4 h ARG 258 N 0.34 0.04 -0.02 0.00 2.43 -0.92 -3.35 114.38 112.92 3ik4 h ARG 258 Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3ik4 h ARG 258 Cb 0.55 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3ik4 h ARG 258 CO -0.41 0.48 -0.17 0.39 -1.51 0.00 0.00 179.97 178.75 3ik4 n GLU 259 N -4.84 1.50 -3.11 0.20 1.02 0.80 -4.95 120.64 111.26 3ik4 n GLU 259 Ca -0.08 -1.06 -0.20 0.00 -0.02 0.00 0.00 57.16 55.80 3ik4 n GLU 259 Cb 0.24 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.23 3ik4 n GLU 259 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ik4 n GLY 260 N 1.31 -0.35 0.23 0.62 0.00 0.21 -4.83 105.19 102.38 3ik4 n GLY 260 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3ik4 n GLY 260 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ik4 h THR 261 N -1.62 1.22 -3.38 2.61 2.02 -1.70 -3.38 112.91 108.67 3ik4 h THR 261 Ca -0.47 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 3ik4 h THR 261 Cb 1.32 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 69.00 3ik4 h THR 261 CO 0.49 0.31 0.04 0.00 0.37 0.00 0.00 175.52 176.72 3ik4 s ALA 262 N -4.56 -0.63 -0.53 6.16 0.00 -1.26 -3.63 121.76 117.31 3ik4 s ALA 262 Ca -0.05 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.30 3ik4 s ALA 262 Cb 0.15 0.97 0.01 0.00 0.00 0.00 0.00 23.12 24.24 3ik4 s ALA 262 CO 0.74 -0.93 0.50 -1.13 0.00 0.00 0.00 175.76 174.94 3ik4 n SER 263 N -0.48 0.99 -3.80 0.00 3.41 0.42 -4.83 113.62 109.33 3ik4 n SER 263 Ca -0.03 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.46 3ik4 n SER 263 Cb 0.61 0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 64.83 3ik4 n SER 263 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ik4 s VAL 264 N -0.88 -0.00 -0.19 -3.33 1.01 -0.58 -0.84 120.40 115.59 3ik4 s VAL 264 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3ik4 s VAL 264 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3ik4 s VAL 264 CO 0.13 0.00 -0.02 -0.63 0.00 0.00 0.00 175.10 174.58 3ik4 s ILE 265 N 0.14 3.87 -0.43 2.22 -1.09 0.99 -0.57 121.20 126.32 3ik4 s ILE 265 Ca -0.00 -0.35 -0.22 0.00 -2.23 0.00 0.00 60.65 57.85 3ik4 s ILE 265 Cb -0.02 -2.73 0.02 0.00 -1.58 0.00 0.00 42.46 38.15 3ik4 s ILE 265 CO 0.00 0.44 0.74 0.21 -1.23 0.00 0.00 174.94 175.10 3ik4 s ASN 266 N 0.88 6.40 -0.19 3.58 2.47 0.55 -0.21 114.94 128.41 3ik4 s ASN 266 Ca 0.00 -0.11 -0.22 0.00 0.42 0.00 0.00 52.86 52.95 3ik4 s ASN 266 Cb -0.14 -2.36 -0.02 0.00 -1.45 0.00 0.00 41.25 37.27 3ik4 s ASN 266 CO 0.02 -0.84 0.68 -0.63 -3.72 0.00 0.00 177.10 172.61 3ik4 s ILE 267 N 3.11 4.98 -0.31 -5.21 1.01 0.15 -4.66 121.20 120.27 3ik4 s ILE 267 Ca 0.28 1.30 0.03 0.00 0.00 0.00 0.00 60.65 62.26 3ik4 s ILE 267 Cb -0.13 -4.00 0.09 0.00 0.01 0.00 0.00 42.46 38.43 3ik4 s ILE 267 CO 0.21 0.08 0.01 -0.54 0.00 0.00 0.00 174.94 174.70 3ik4 s LYS 268 N 2.00 1.59 0.43 2.79 1.02 -1.26 -1.30 119.74 125.00 3ik4 s LYS 268 Ca 0.31 -1.56 0.10 0.00 0.02 0.00 0.00 55.97 54.84 3ik4 s LYS 268 Cb -0.16 -2.93 0.93 0.00 -0.52 0.00 0.00 37.83 35.15 3ik4 s LYS 268 CO 0.11 -0.82 2.02 -0.07 -0.92 0.00 0.00 175.35 175.67 3ik4 h LEU 269 N 7.74 0.26 -1.93 3.17 3.38 -1.84 0.50 115.31 126.59 3ik4 h LEU 269 Ca -0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ik4 h LEU 269 Cb 1.03 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3ik4 h LEU 269 CO 0.49 0.28 -0.04 -0.03 0.09 0.00 0.00 178.44 179.22 3ik4 h MET 270 N 0.29 0.00 0.03 1.13 4.05 -1.89 0.57 114.93 119.10 3ik4 h MET 270 Ca 0.07 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.11 3ik4 h MET 270 Cb 0.13 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.88 3ik4 h MET 270 CO -0.00 0.04 -2.35 1.63 0.23 0.00 0.00 176.91 176.46 3ik4 n LYS 271 N -4.45 0.68 0.05 0.39 4.76 -0.59 -3.10 118.16 115.90 3ik4 n LYS 271 Ca -0.03 0.17 0.02 0.00 -2.87 0.00 0.00 58.31 55.60 3ik4 n LYS 271 Cb 0.13 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 3ik4 n LYS 271 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ik4 h ALA 272 N 0.09 0.63 0.00 7.82 0.00 -0.93 -3.47 119.26 123.41 3ik4 h ALA 272 Ca -0.54 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3ik4 h ALA 272 Cb 1.95 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3ik4 h ALA 272 CO -0.04 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3ik4 n GLY 273 N 1.34 0.09 0.10 0.00 0.00 0.19 -4.41 105.19 102.49 3ik4 n GLY 273 Ca -0.07 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 3ik4 n GLY 273 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ik4 h VAL 274 N 0.00 0.85 -0.84 1.61 2.07 -1.89 -0.86 116.25 117.19 3ik4 h VAL 274 Ca 0.00 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3ik4 h VAL 274 Cb 0.00 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3ik4 h VAL 274 CO 0.00 0.26 0.50 0.00 0.02 0.00 0.00 177.57 178.35 3ik4 h ALA 275 N -0.44 1.08 -0.49 1.67 0.00 -1.97 -0.05 119.26 119.06 3ik4 h ALA 275 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ik4 h ALA 275 Cb 0.51 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ik4 h ALA 275 CO 0.02 0.55 0.27 1.49 0.00 0.00 0.00 179.25 181.57 3ik4 h GLU 276 N 1.16 0.69 -0.61 0.00 4.57 -1.81 -2.58 114.58 116.00 3ik4 h GLU 276 Ca 0.30 -0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.53 3ik4 h GLU 276 Cb -0.03 -0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 28.32 3ik4 h GLU 276 CO -0.06 0.54 0.01 0.78 -1.18 0.00 0.00 179.01 179.11 3ik4 h GLY 277 N 0.65 0.66 0.97 1.92 0.00 -0.10 -1.41 103.07 105.76 3ik4 h GLY 277 Ca 0.17 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.59 3ik4 h GLY 277 CO -0.03 -0.19 0.60 1.41 0.00 0.00 0.00 176.54 178.34 3ik4 h LEU 278 N 0.13 1.03 -0.58 3.11 3.38 -0.73 -2.26 115.31 119.39 3ik4 h LEU 278 Ca 0.32 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3ik4 h LEU 278 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3ik4 h LEU 278 CO -0.51 0.74 0.08 0.11 0.09 0.00 0.00 178.44 178.95 3ik4 h LYS 279 N 1.21 0.97 -0.36 1.13 1.57 -1.01 -2.99 116.57 117.09 3ik4 h LYS 279 Ca 0.34 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3ik4 h LYS 279 Cb -0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3ik4 h LYS 279 CO -0.09 0.93 0.16 0.52 -0.57 0.00 0.00 179.45 180.40 3ik4 h MET 280 N 0.86 0.50 -0.22 3.15 2.86 -0.85 -2.12 114.93 119.12 3ik4 h MET 280 Ca 0.17 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 3ik4 h MET 280 Cb 0.43 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3ik4 h MET 280 CO 0.01 0.41 -0.16 0.82 1.06 0.00 0.00 176.91 179.05 3ik4 h ILE 281 N 0.51 1.32 -0.52 -1.22 2.04 -1.32 -1.68 117.51 116.63 3ik4 h ILE 281 Ca 0.13 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 3ik4 h ILE 281 Cb 0.08 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3ik4 h ILE 281 CO -0.02 0.39 0.26 0.00 0.00 0.00 0.00 178.15 178.78 3ik4 h ALA 282 N 0.68 0.67 -0.24 1.87 0.00 -1.34 -1.60 119.26 119.30 3ik4 h ALA 282 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3ik4 h ALA 282 Cb 0.69 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ik4 h ALA 282 CO 0.04 0.23 -0.13 0.82 0.00 0.00 0.00 179.25 180.22 3ik4 h ILE 283 N 0.70 1.30 -0.53 0.00 2.04 -1.40 -0.71 117.51 118.90 3ik4 h ILE 283 Ca 0.18 -1.21 0.08 0.00 1.00 0.00 0.00 64.86 64.91 3ik4 h ILE 283 Cb 0.11 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3ik4 h ILE 283 CO -0.02 0.38 0.17 0.00 0.00 0.00 0.00 178.15 178.68 3ik4 h ALA 284 N 0.72 0.65 -0.54 1.87 0.00 -1.22 0.16 119.26 120.90 3ik4 h ALA 284 Ca 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ik4 h ALA 284 Cb 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3ik4 h ALA 284 CO 0.04 -0.23 0.24 1.96 0.00 0.00 0.00 179.25 181.25 3ik4 h GLN 285 N 0.34 0.79 -0.59 0.00 4.20 -1.15 0.28 115.11 118.98 3ik4 h GLN 285 Ca 0.26 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3ik4 h GLN 285 Cb 0.31 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3ik4 h GLN 285 CO -0.28 0.67 0.07 0.00 -0.67 0.00 0.00 178.83 178.62 3ik4 h ALA 286 N 1.08 1.01 -0.00 3.87 0.00 -0.81 -2.79 119.26 121.63 3ik4 h ALA 286 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ik4 h ALA 286 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ik4 h ALA 286 CO -0.02 0.62 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 3ik4 n ALA 287 N -2.47 2.59 -1.61 0.00 0.00 0.55 -4.92 120.51 114.65 3ik4 n ALA 287 Ca 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 3ik4 n ALA 287 Cb 0.29 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 3ik4 n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 288 N 1.15 0.47 3.85 0.00 0.00 -0.62 -5.02 105.19 105.02 3ik4 n GLY 288 Ca 0.19 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3ik4 n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ik4 s LEU 289 N -1.30 4.03 0.63 0.99 1.43 0.89 -5.02 118.68 120.34 3ik4 s LEU 289 Ca 0.00 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 3ik4 s LEU 289 Cb 0.00 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 3ik4 s LEU 289 CO 0.00 -0.24 1.04 -0.83 0.23 0.00 0.00 176.35 176.55 3ik4 s GLY 290 N -2.35 1.66 -0.05 -3.19 0.00 -0.02 -4.47 107.32 98.91 3ik4 s GLY 290 Ca 0.54 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 45.23 3ik4 s GLY 290 CO 0.18 0.21 -0.13 1.08 0.00 0.00 0.00 173.10 174.44 3ik4 s LEU 291 N -5.24 1.79 0.02 0.66 1.43 -1.26 -0.01 118.68 116.07 3ik4 s LEU 291 Ca 0.56 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 3ik4 s LEU 291 Cb -0.12 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 3ik4 s LEU 291 CO 0.54 0.09 -0.16 -0.32 0.23 0.00 0.00 176.35 176.73 3ik4 s MET 292 N 0.28 1.19 -0.09 1.70 -2.45 0.70 -1.93 119.30 118.71 3ik4 s MET 292 Ca -0.07 -0.72 0.02 0.00 -1.25 0.00 0.00 55.69 53.67 3ik4 s MET 292 Cb -0.12 -1.20 -0.02 0.00 1.25 0.00 0.00 34.83 34.74 3ik4 s MET 292 CO 0.02 0.31 -0.14 -1.50 1.05 0.00 0.00 175.02 174.77 3ik4 s ILE 293 N -0.63 3.02 0.00 10.11 1.10 -0.63 0.29 121.20 134.47 3ik4 s ILE 293 Ca 0.05 -0.71 0.00 0.00 -0.51 0.00 0.00 60.65 59.48 3ik4 s ILE 293 Cb -0.07 -2.22 0.00 0.00 0.15 0.00 0.00 42.46 40.32 3ik4 s ILE 293 CO 0.01 0.56 0.00 0.61 -2.11 0.00 0.00 174.94 174.01 3ik4 n GLY 294 N 2.89 4.78 0.23 1.50 0.00 -0.42 -1.35 105.19 112.81 3ik4 n GLY 294 Ca -0.18 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3ik4 n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 295 N 0.00 0.89 0.00 -0.02 0.00 -1.26 -4.57 105.19 100.23 3ik4 n GLY 295 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3ik4 n GLY 295 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ik4 n MET 296 N -0.05 3.34 -3.15 1.61 2.81 -1.26 -4.98 117.12 115.44 3ik4 n MET 296 Ca 0.00 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.44 3ik4 n MET 296 Cb 0.03 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.51 3ik4 n MET 296 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ik4 s VAL 297 N 3.41 5.03 0.08 2.03 1.01 -1.26 -4.87 120.40 125.83 3ik4 s VAL 297 Ca 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 61.98 60.57 3ik4 s VAL 297 Cb 0.00 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 3ik4 s VAL 297 CO 0.00 -1.15 -0.25 -1.61 0.00 0.00 0.00 175.10 172.09 3ik4 s GLU 298 N 1.98 1.50 0.01 2.72 2.02 -1.26 -4.87 118.70 120.80 3ik4 s GLU 298 Ca 0.16 -1.16 -0.00 0.00 0.02 0.00 0.00 54.97 53.99 3ik4 s GLU 298 Cb -0.18 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.27 3ik4 s GLU 298 CO -0.01 0.44 0.01 -1.13 0.02 0.00 0.00 175.26 174.59 3ik4 n SER 299 N 1.43 -0.91 0.05 -0.19 3.41 -1.26 -3.47 113.62 112.68 3ik4 n SER 299 Ca -0.18 -0.55 0.11 0.00 -0.26 0.00 0.00 58.87 57.99 3ik4 n SER 299 Cb 0.53 -0.01 0.44 0.00 -0.26 0.00 0.00 64.21 64.91 3ik4 n SER 299 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ik4 n ILE 300 N -2.47 0.70 -0.04 -1.33 3.06 -1.26 -2.62 119.36 115.40 3ik4 n ILE 300 Ca 0.00 0.12 -0.13 0.00 -2.50 0.00 0.00 62.75 60.24 3ik4 n ILE 300 Cb 0.00 -0.89 -0.09 0.00 0.54 0.00 0.00 39.64 39.21 3ik4 n ILE 300 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3ik4 h LEU 301 N 0.00 0.24 0.06 9.51 5.85 -1.96 -2.18 115.31 126.82 3ik4 h LEU 301 Ca 0.00 -0.53 -0.24 0.00 0.84 0.00 0.00 57.88 57.95 3ik4 h LEU 301 Cb 0.40 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3ik4 h LEU 301 CO 0.00 0.72 -1.14 0.00 -0.34 0.00 0.00 178.44 177.67 3ik4 h ALA 302 N 0.53 0.25 0.00 1.25 0.00 -1.90 -3.11 119.26 116.28 3ik4 h ALA 302 Ca 0.01 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 3ik4 h ALA 302 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ik4 h ALA 302 CO 0.03 1.14 -0.42 0.52 0.00 0.00 0.00 179.25 180.52 3ik4 h MET 303 N 0.03 0.00 0.07 0.00 2.86 -1.60 -2.33 114.93 113.96 3ik4 h MET 303 Ca -0.08 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.29 3ik4 h MET 303 Cb 1.87 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.56 3ik4 h MET 303 CO 0.16 0.42 -1.09 0.77 1.06 0.00 0.00 176.91 178.23 3ik4 h SER 304 N 0.00 0.84 -0.88 1.22 0.02 -1.48 -1.60 113.55 111.66 3ik4 h SER 304 Ca -0.00 -0.79 0.04 0.00 -0.84 0.00 0.00 61.79 60.19 3ik4 h SER 304 Cb 0.98 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3ik4 h SER 304 CO 0.05 1.54 0.57 0.15 -1.14 0.00 0.00 176.83 178.00 3ik4 h PHE 305 N 0.25 1.06 -0.57 3.45 3.04 -1.48 0.18 116.94 122.86 3ik4 h PHE 305 Ca -0.16 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.72 3ik4 h PHE 305 Cb 1.76 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.90 3ik4 h PHE 305 CO 0.12 0.61 -0.03 0.77 -2.02 0.00 0.00 178.31 177.76 3ik4 h SER 306 N 1.10 1.00 -0.63 0.41 0.02 -1.47 -2.72 113.55 111.26 3ik4 h SER 306 Ca 0.35 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3ik4 h SER 306 Cb 0.02 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3ik4 h SER 306 CO -0.12 1.07 0.18 0.00 -1.14 0.00 0.00 176.83 176.82 3ik4 h ALA 307 N 1.03 0.83 -1.01 3.77 0.00 -0.67 -1.01 119.26 122.20 3ik4 h ALA 307 Ca 0.16 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3ik4 h ALA 307 Cb 0.58 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3ik4 h ALA 307 CO 0.03 0.51 0.65 -0.91 0.00 0.00 0.00 179.25 179.53 3ik4 h ASN 308 N 0.91 1.01 0.06 0.00 2.35 -0.61 -1.46 115.58 117.84 3ik4 h ASN 308 Ca 0.20 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3ik4 h ASN 308 Cb 0.32 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3ik4 h ASN 308 CO -0.00 0.62 -0.03 0.25 -1.65 0.00 0.00 177.43 176.62 3ik4 h LEU 309 N 1.13 -0.07 -0.67 1.61 5.85 -1.14 -0.51 115.31 121.51 3ik4 h LEU 309 Ca 0.45 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3ik4 h LEU 309 Cb 0.26 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3ik4 h LEU 309 CO -0.20 0.50 0.22 0.00 -0.34 0.00 0.00 178.44 178.61 3ik4 h ALA 310 N 0.20 0.88 -0.15 1.25 0.00 -1.09 0.88 119.26 121.23 3ik4 h ALA 310 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 3ik4 h ALA 310 Cb 0.56 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ik4 h ALA 310 CO 0.01 0.55 -0.72 0.00 0.00 0.00 0.00 179.25 179.09 3ik4 h ALA 311 N 1.09 0.29 -0.15 0.00 0.00 -1.36 -1.81 119.26 117.32 3ik4 h ALA 311 Ca 0.22 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3ik4 h ALA 311 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ik4 h ALA 311 CO -0.01 0.63 -0.08 0.78 0.00 0.00 0.00 179.25 180.56 3ik4 h GLY 312 N 0.47 0.34 1.28 0.00 0.00 -0.90 -1.11 103.07 103.15 3ik4 h GLY 312 Ca -0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 3ik4 h GLY 312 CO 0.15 0.29 -0.31 -0.57 0.00 0.00 0.00 176.54 176.10 3ik4 h ASN 313 N -0.03 0.84 -3.94 0.19 -0.73 -0.82 -0.96 115.58 110.13 3ik4 h ASN 313 Ca 0.03 -0.35 0.04 0.00 1.87 0.00 0.00 56.30 57.89 3ik4 h ASN 313 Cb 0.57 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 3ik4 h ASN 313 CO 0.02 1.08 -0.08 0.61 -0.37 0.00 0.00 177.43 178.70 3ik4 n GLY 314 N -0.06 -1.80 1.19 1.57 0.00 -0.68 -4.81 105.19 100.60 3ik4 n GLY 314 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3ik4 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 315 N -2.26 0.73 3.52 -0.02 0.00 -1.26 -4.95 105.19 100.95 3ik4 n GLY 315 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3ik4 n GLY 315 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ik4 s PHE 316 N -2.68 3.13 0.16 1.61 0.08 -1.26 -4.32 117.98 114.69 3ik4 s PHE 316 Ca 0.00 -0.05 0.14 0.00 0.12 0.00 0.00 56.93 57.13 3ik4 s PHE 316 Cb 0.00 -3.11 0.35 0.00 -0.57 0.00 0.00 43.02 39.69 3ik4 s PHE 316 CO 0.00 -0.73 1.58 -0.44 -0.10 0.00 0.00 175.22 175.54 3ik4 h ASP 317 N 8.71 0.00 -3.27 1.36 3.32 -1.79 -3.45 116.42 121.30 3ik4 h ASP 317 Ca -0.26 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.16 3ik4 h ASP 317 Cb 1.11 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.32 3ik4 h ASP 317 CO 0.83 0.57 -0.85 -0.36 -1.72 0.00 0.00 179.24 177.71 3ik4 s PHE 318 N -3.39 2.25 -0.15 4.55 0.08 -0.96 -5.05 117.98 115.31 3ik4 s PHE 318 Ca 0.00 -1.04 0.02 0.00 0.12 0.00 0.00 56.93 56.02 3ik4 s PHE 318 Cb 0.11 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3ik4 s PHE 318 CO 0.74 -0.49 -0.20 0.42 -0.10 0.00 0.00 175.22 175.59 3ik4 s ILE 319 N 0.78 2.21 -0.48 0.64 -1.09 -1.26 -1.61 121.20 120.39 3ik4 s ILE 319 Ca -0.10 -0.92 0.08 0.00 -2.23 0.00 0.00 60.65 57.48 3ik4 s ILE 319 Cb -0.16 -1.91 0.26 0.00 -1.58 0.00 0.00 42.46 39.08 3ik4 s ILE 319 CO 0.01 0.54 0.63 -0.67 -1.23 0.00 0.00 174.94 174.22 3ik4 n ASP 320 N 4.21 1.61 -2.91 3.58 4.64 -0.45 -1.25 116.55 125.98 3ik4 n ASP 320 Ca -0.20 -3.01 -0.27 0.00 -1.38 0.00 0.00 54.79 49.93 3ik4 n ASP 320 Cb 0.51 -0.64 -0.04 0.00 -1.04 0.00 0.00 41.12 39.91 3ik4 n ASP 320 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3ik4 n LEU 321 N 1.05 4.38 -0.21 -2.67 4.77 -1.26 -4.26 117.00 118.80 3ik4 n LEU 321 Ca 0.25 -5.63 0.03 0.00 -0.03 0.00 0.00 56.01 50.63 3ik4 n LEU 321 Cb 0.49 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3ik4 n LEU 321 CO 0.27 2.35 0.32 -0.90 -1.33 0.00 0.00 177.39 178.09 3ik4 n ASP 322 N -0.25 1.40 0.20 -1.43 3.85 -1.26 -4.70 116.55 114.37 3ik4 n ASP 322 Ca 0.31 -1.20 0.04 0.00 -0.71 0.00 0.00 54.79 53.23 3ik4 n ASP 322 Cb 0.42 0.04 0.42 0.00 -1.35 0.00 0.00 41.12 40.64 3ik4 n ASP 322 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 3ik4 h THR 323 N 1.02 1.15 -0.88 2.12 1.35 -1.88 -2.31 112.91 113.48 3ik4 h THR 323 Ca 0.00 -1.12 0.20 0.00 -0.55 0.00 0.00 66.41 64.95 3ik4 h THR 323 Cb 0.22 1.62 -0.06 0.00 -1.73 0.00 0.00 68.15 68.20 3ik4 h THR 323 CO 0.00 0.31 0.59 -0.65 -0.25 0.00 0.00 175.52 175.52 3ik4 h PRO 324 N 0.00 0.34 0.00 4.72 0.11 -1.83 -0.48 132.00 134.85 3ik4 h PRO 324 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ik4 h PRO 324 Cb 0.59 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3ik4 h PRO 324 CO 0.04 0.22 0.00 -0.07 -0.21 0.00 0.00 178.00 177.98 3ik4 h LEU 325 N 0.35 0.00 -1.98 2.35 3.38 -1.76 -2.53 115.31 115.11 3ik4 h LEU 325 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3ik4 h LEU 325 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3ik4 h LEU 325 CO -0.15 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.87 3ik4 n PHE 326 N -2.49 0.18 -3.60 1.13 3.01 -0.20 -4.93 117.46 110.56 3ik4 n PHE 326 Ca -0.00 -0.12 -0.36 0.00 1.01 0.00 0.00 57.45 57.98 3ik4 n PHE 326 Cb 0.14 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 3ik4 n PHE 326 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3ik4 s ILE 327 N -1.44 5.34 -0.06 4.37 1.01 -0.95 -0.37 121.20 129.10 3ik4 s ILE 327 Ca 0.26 0.42 -0.25 0.00 0.00 0.00 0.00 60.65 61.08 3ik4 s ILE 327 Cb 0.17 -3.58 -0.23 0.00 0.01 0.00 0.00 42.46 38.83 3ik4 s ILE 327 CO 0.24 0.40 1.03 0.00 0.00 0.00 0.00 174.94 176.61 3ik4 h ALA 328 N 6.73 0.03 -2.56 9.38 0.00 -0.98 -3.45 119.26 128.41 3ik4 h ALA 328 Ca -0.41 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 53.93 3ik4 h ALA 328 Cb 1.16 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 3ik4 h ALA 328 CO 0.75 0.05 -0.27 -1.83 0.00 0.00 0.00 179.25 177.96 3ik4 s GLU 329 N -3.16 0.63 -0.06 0.00 4.04 -1.26 -5.06 118.70 113.84 3ik4 s GLU 329 Ca -0.16 -0.05 -0.12 0.00 0.04 0.00 0.00 54.97 54.67 3ik4 s GLU 329 Cb 0.01 0.29 0.02 0.00 0.02 0.00 0.00 34.13 34.47 3ik4 s GLU 329 CO 0.73 -0.16 0.29 -3.38 -1.84 0.00 0.00 175.26 170.90 3ik4 s HIS 330 N -1.05 -0.23 -0.65 4.83 -3.43 -1.26 -4.49 115.29 109.01 3ik4 s HIS 330 Ca -0.11 0.49 0.04 0.00 -0.80 0.00 0.00 55.06 54.68 3ik4 s HIS 330 Cb -0.05 0.09 0.28 0.00 -1.43 0.00 0.00 32.58 31.47 3ik4 s HIS 330 CO 0.04 -0.28 0.99 -0.35 -2.00 0.00 0.00 174.74 173.14 3ik4 n PRO 331 N 2.05 2.23 -4.20 -0.38 -0.04 -1.26 -4.89 135.00 128.51 3ik4 n PRO 331 Ca -0.18 -1.09 -0.28 0.00 -0.04 0.00 0.00 63.50 61.91 3ik4 n PRO 331 Cb 0.57 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 3ik4 n PRO 331 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ik4 s PHE 332 N -1.55 2.84 0.08 0.54 0.40 -1.26 -3.31 117.98 115.72 3ik4 s PHE 332 Ca 0.19 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.47 3ik4 s PHE 332 Cb 0.15 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 3ik4 s PHE 332 CO 0.05 0.49 -0.19 0.96 0.70 0.00 0.00 175.22 177.23 3ik4 s ILE 333 N -1.51 1.50 0.00 0.64 -4.36 -0.05 -4.94 121.20 112.48 3ik4 s ILE 333 Ca 0.25 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 3ik4 s ILE 333 Cb -0.10 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.23 3ik4 s ILE 333 CO 0.17 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.89 3ik4 n GLY 334 N 1.27 0.70 7.00 6.27 0.00 -1.26 -0.79 105.19 118.38 3ik4 n GLY 334 Ca -0.20 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3ik4 n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 335 N 0.00 -1.10 3.76 -0.02 0.00 0.10 -4.79 105.19 103.15 3ik4 n GLY 335 Ca 0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 3ik4 n GLY 335 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ik4 s PHE 336 N 0.00 3.33 -0.04 1.61 -0.12 -1.26 -4.83 117.98 116.66 3ik4 s PHE 336 Ca 0.00 1.57 -0.25 0.00 -0.05 0.00 0.00 56.93 58.20 3ik4 s PHE 336 Cb 0.00 -3.46 -0.04 0.00 -0.63 0.00 0.00 43.02 38.90 3ik4 s PHE 336 CO 0.00 -1.14 0.78 0.00 -0.05 0.00 0.00 175.22 174.82 3ik4 s ALA 337 N -1.16 3.29 -0.09 1.99 0.00 -0.75 -4.89 121.76 120.15 3ik4 s ALA 337 Ca 0.47 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.72 3ik4 s ALA 337 Cb -0.35 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3ik4 s ALA 337 CO 0.46 -0.13 -0.18 -1.14 0.00 0.00 0.00 175.76 174.77 3ik4 s GLN 338 N 0.81 2.88 -0.15 0.00 0.74 -1.26 -0.84 119.66 121.84 3ik4 s GLN 338 Ca 0.42 -0.78 -0.03 0.00 0.05 0.00 0.00 55.36 55.01 3ik4 s GLN 338 Cb -0.19 -2.39 0.05 0.00 1.10 0.00 0.00 33.01 31.59 3ik4 s GLN 338 CO 0.21 0.36 0.05 0.99 -0.55 0.00 0.00 175.29 176.36 3ik4 s THR 339 N -0.06 0.20 0.00 -0.34 2.01 -0.74 -5.01 115.64 111.70 3ik4 s THR 339 Ca -0.04 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.74 3ik4 s THR 339 Cb -0.14 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.67 3ik4 s THR 339 CO 0.04 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 3ik4 n GLY 340 N 5.18 3.67 0.86 4.40 0.00 -1.26 -1.83 105.19 116.21 3ik4 n GLY 340 Ca -0.07 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3ik4 n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 341 N 0.00 0.77 3.69 -0.02 0.00 -1.14 -4.80 105.19 103.69 3ik4 n GLY 341 Ca 0.00 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 3ik4 n GLY 341 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ik4 s THR 342 N -1.73 4.99 -0.29 2.61 2.01 -0.76 -0.79 115.64 121.67 3ik4 s THR 342 Ca 0.25 1.46 -0.02 0.00 0.31 0.00 0.00 61.69 63.69 3ik4 s THR 342 Cb 0.18 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.67 3ik4 s THR 342 CO 0.27 0.16 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.59 3ik4 s LEU 343 N 1.39 3.76 -0.20 4.42 1.43 0.06 -1.78 118.68 127.76 3ik4 s LEU 343 Ca 0.36 -1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.25 3ik4 s LEU 343 Cb -0.17 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3ik4 s LEU 343 CO 0.15 -0.23 0.08 -1.58 0.23 0.00 0.00 176.35 175.01 3ik4 s GLN 344 N 1.30 3.98 0.14 1.70 2.00 -0.02 -1.41 119.66 127.34 3ik4 s GLN 344 Ca -0.03 -0.34 0.01 0.00 -2.00 0.00 0.00 55.36 53.00 3ik4 s GLN 344 Cb -0.19 -3.29 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 3ik4 s GLN 344 CO -0.01 0.20 0.29 -0.51 -0.50 0.00 0.00 175.29 174.75 3ik4 s LEU 345 N 0.59 4.32 0.33 3.68 1.02 0.15 -1.80 118.68 126.97 3ik4 s LEU 345 Ca 0.04 0.25 0.10 0.00 0.02 0.00 0.00 54.13 54.54 3ik4 s LEU 345 Cb -0.13 -2.98 -0.06 0.00 0.02 0.00 0.00 46.19 43.04 3ik4 s LEU 345 CO 0.01 0.06 -0.08 0.00 0.02 0.00 0.00 176.35 176.37 3ik4 s ALA 346 N -1.70 3.00 -0.99 4.21 0.00 -1.26 -4.91 121.76 120.11 3ik4 s ALA 346 Ca 0.36 -2.01 -0.20 0.00 0.00 0.00 0.00 51.96 50.11 3ik4 s ALA 346 Cb -0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 3ik4 s ALA 346 CO 0.28 0.11 1.97 -0.25 0.00 0.00 0.00 175.76 177.88 3ik4 n ASP 347 N -0.82 2.99 -3.95 0.00 9.92 -1.26 -4.85 116.55 118.59 3ik4 n ASP 347 Ca -0.05 -2.73 -0.19 0.00 -0.53 0.00 0.00 54.79 51.29 3ik4 n ASP 347 Cb 0.62 -1.34 -0.16 0.00 -0.64 0.00 0.00 41.12 39.60 3ik4 n ASP 347 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3ik4 s VAL 348 N 5.53 0.60 0.67 2.53 1.01 -1.26 -5.04 120.40 124.44 3ik4 s VAL 348 Ca 0.57 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 3ik4 s VAL 348 Cb 0.11 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3ik4 s VAL 348 CO 0.08 0.21 1.11 0.00 0.00 0.00 0.00 175.10 176.50 3ik4 n ALA 349 N 3.55 0.42 -0.64 5.51 0.00 -1.26 -3.99 120.51 124.10 3ik4 n ALA 349 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3ik4 n ALA 349 Cb 0.53 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3ik4 n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 350 N 1.05 0.36 0.02 0.00 0.00 -0.62 -3.32 105.19 102.68 3ik4 n GLY 350 Ca 0.14 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.43 3ik4 n GLY 350 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ik4 n HIS 351 N 0.00 0.00 -1.71 1.61 -0.00 -1.26 -1.95 115.22 111.91 3ik4 n HIS 351 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 3ik4 n HIS 351 Cb 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.99 29.63 3ik4 n HIS 351 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ik4 n GLY 352 N 1.47 0.55 3.54 -1.39 0.00 -1.21 -4.45 105.19 103.70 3ik4 n GLY 352 Ca 0.07 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3ik4 n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ik4 s VAL 353 N -2.39 3.49 0.22 1.61 0.11 -1.26 0.03 120.40 122.21 3ik4 s VAL 353 Ca 0.00 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 3ik4 s VAL 353 Cb 0.00 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.38 3ik4 s VAL 353 CO 0.00 0.59 0.02 0.20 -3.33 0.00 0.00 175.10 172.57 3ik4 s ASN 354 N -0.67 1.53 0.22 3.54 0.01 0.03 -4.89 114.94 114.72 3ik4 s ASN 354 Ca 0.10 -1.23 -0.09 0.00 -0.71 0.00 0.00 52.86 50.92 3ik4 s ASN 354 Cb -0.11 0.07 -0.07 0.00 0.41 0.00 0.00 41.25 41.55 3ik4 s ASN 354 CO 0.01 -0.57 0.53 -0.76 -1.51 0.00 0.00 177.10 174.81 3ik4 s LEU 355 N -3.27 4.19 0.41 0.60 1.43 -1.26 -0.87 118.68 119.91 3ik4 s LEU 355 Ca 0.29 0.90 -0.25 0.00 -1.03 0.00 0.00 54.13 54.03 3ik4 s LEU 355 Cb 0.06 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 3ik4 s LEU 355 CO 0.08 -0.05 1.25 -1.61 0.23 0.00 0.00 176.35 176.25 3ik4 s GLU 356 N -2.74 3.96 0.00 1.70 0.41 -1.21 -4.86 118.70 115.96 3ik4 s GLU 356 Ca 0.46 2.02 0.31 0.00 -0.41 0.00 0.00 54.97 57.34 3ik4 s GLU 356 Cb -0.11 -2.69 1.62 0.00 -1.78 0.00 0.00 34.13 31.17 3ik4 s GLU 356 CO 0.21 -0.45 2.07 0.41 -0.49 0.00 0.00 175.26 177.01