#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ik4 s LEU 1 N 0.00 3.44 0.35 2.46 2.34 -1.26 -4.98 118.68 121.02 3ik4 s LEU 1 Ca 0.00 -0.61 0.25 0.00 0.06 0.00 0.00 54.13 53.84 3ik4 s LEU 1 Cb 0.00 -2.25 0.68 0.00 -0.56 0.00 0.00 46.19 44.07 3ik4 s LEU 1 CO 0.00 -0.94 1.72 -0.65 -1.06 0.00 0.00 176.35 175.43 3ik4 h PRO 2 N 0.54 0.00 -0.51 1.48 0.10 -2.00 0.30 132.00 131.90 3ik4 h PRO 2 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.73 3ik4 h PRO 2 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.38 3ik4 h PRO 2 CO 0.45 0.00 0.00 0.25 0.10 0.00 0.00 178.00 178.80 3ik4 n THR 3 N -2.71 0.70 -2.29 -1.15 -2.24 -1.26 -2.58 114.28 102.76 3ik4 n THR 3 Ca 0.04 -0.69 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 3ik4 n THR 3 Cb 0.44 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.34 3.41 -0.28 4.28 2.01 0.11 -1.85 115.64 121.97 3ik4 s THR 4 Ca 0.34 1.14 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 3ik4 s THR 4 Cb 0.18 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 3ik4 s THR 4 CO 0.23 0.16 1.52 -0.63 -0.69 0.00 0.00 174.62 175.21 3ik4 s ILE 5 N 0.17 3.82 -0.21 1.82 1.01 -0.48 -0.58 121.20 126.76 3ik4 s ILE 5 Ca 0.56 0.90 -0.05 0.00 0.00 0.00 0.00 60.65 62.06 3ik4 s ILE 5 Cb -0.35 -3.90 -0.20 0.00 0.01 0.00 0.00 42.46 38.03 3ik4 s ILE 5 CO 0.37 -0.43 0.01 1.67 0.00 0.00 0.00 174.94 176.56 3ik4 n GLN 6 N 7.72 0.67 -4.11 2.79 7.27 0.48 -1.28 117.38 130.93 3ik4 n GLN 6 Ca 0.18 0.25 -0.14 0.00 0.07 0.00 0.00 57.00 57.35 3ik4 n GLN 6 Cb 0.46 -1.61 -0.13 0.00 2.41 0.00 0.00 30.24 31.38 3ik4 n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ik4 s ALA 7 N -2.52 0.52 -0.02 1.69 0.00 -0.84 -4.88 121.76 115.72 3ik4 s ALA 7 Ca -0.30 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 3ik4 s ALA 7 Cb 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.21 3ik4 s ALA 7 CO 0.65 0.04 0.03 0.42 0.00 0.00 0.00 175.76 176.90 3ik4 s ILE 8 N -0.82 -0.07 0.13 0.00 1.01 -1.26 -0.55 121.20 119.64 3ik4 s ILE 8 Ca -0.05 0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.88 3ik4 s ILE 8 Cb -0.06 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 3ik4 s ILE 8 CO 0.00 0.10 -0.07 -0.94 0.00 0.00 0.00 174.94 174.03 3ik4 s SER 9 N 1.24 1.44 -0.13 3.58 1.04 -0.00 -5.02 113.70 115.86 3ik4 s SER 9 Ca -0.07 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.26 3ik4 s SER 9 Cb -0.13 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.10 3ik4 s SER 9 CO -0.03 -0.42 0.30 0.00 0.98 0.00 0.00 173.24 174.07 3ik4 s ALA 10 N -3.50 -0.71 0.06 5.32 0.00 -1.26 -0.94 121.76 120.74 3ik4 s ALA 10 Ca 0.16 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3ik4 s ALA 10 Cb 0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3ik4 s ALA 10 CO -0.01 -0.29 -0.17 -1.83 0.00 0.00 0.00 175.76 173.46 3ik4 s GLU 11 N 1.49 1.02 0.05 0.00 -1.05 -0.92 -4.98 118.70 114.30 3ik4 s GLU 11 Ca -0.08 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.50 3ik4 s GLU 11 Cb -0.10 -1.11 -0.05 0.00 -0.44 0.00 0.00 34.13 32.43 3ik4 s GLU 11 CO -0.10 0.27 1.14 0.00 0.95 0.00 0.00 175.26 177.51 3ik4 s ALA 12 N -1.04 3.33 -0.13 -0.84 0.00 -1.26 -1.02 121.76 120.80 3ik4 s ALA 12 Ca 0.03 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3ik4 s ALA 12 Cb -0.09 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3ik4 s ALA 12 CO 0.02 -0.38 -0.18 -1.50 0.00 0.00 0.00 175.76 173.73 3ik4 s ILE 13 N 1.03 2.54 -0.45 0.00 1.10 0.14 -4.93 121.20 120.63 3ik4 s ILE 13 Ca 0.57 -0.83 -0.08 0.00 -0.51 0.00 0.00 60.65 59.79 3ik4 s ILE 13 Cb -0.27 -2.04 0.11 0.00 0.15 0.00 0.00 42.46 40.41 3ik4 s ILE 13 CO 0.29 0.53 0.31 0.20 -2.11 0.00 0.00 174.94 174.16 3ik4 s ASN 14 N 0.52 5.61 -0.29 4.50 0.01 -1.26 -0.25 114.94 123.79 3ik4 s ASN 14 Ca -0.11 -1.88 -0.19 0.00 -0.71 0.00 0.00 52.86 49.97 3ik4 s ASN 14 Cb -0.16 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 3ik4 s ASN 14 CO 0.04 -0.65 0.55 -0.76 -1.51 0.00 0.00 177.10 174.78 3ik4 s LEU 15 N 1.33 4.14 0.12 0.60 1.43 -0.88 -4.86 118.68 120.56 3ik4 s LEU 15 Ca 0.06 0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 53.23 3ik4 s LEU 15 Cb -0.25 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 3ik4 s LEU 15 CO -0.01 -0.39 1.57 -2.16 0.23 0.00 0.00 176.35 175.59 3ik4 s PRO 16 N 2.43 4.22 -0.10 1.29 0.04 -1.26 -0.90 135.00 140.72 3ik4 s PRO 16 Ca 0.22 2.30 -0.09 0.00 0.04 0.00 0.00 61.00 63.47 3ik4 s PRO 16 Cb -0.15 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 3ik4 s PRO 16 CO 0.11 -0.63 0.20 -0.51 0.04 0.00 0.00 177.00 176.20 3ik4 s LEU 17 N 1.74 4.41 -0.04 -3.56 1.43 -0.80 -1.61 118.68 120.25 3ik4 s LEU 17 Ca 0.70 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 54.14 3ik4 s LEU 17 Cb -0.41 -2.18 -0.25 0.00 0.03 0.00 0.00 46.19 43.39 3ik4 s LEU 17 CO 0.31 0.39 1.02 0.71 0.23 0.00 0.00 176.35 179.01 3ik4 h THR 18 N 3.93 1.53 -1.15 5.49 1.35 -0.18 -3.46 112.91 120.42 3ik4 h THR 18 Ca -0.54 -2.08 -0.19 0.00 -0.55 0.00 0.00 66.41 63.05 3ik4 h THR 18 Cb 1.23 2.81 -0.19 0.00 -1.73 0.00 0.00 68.15 70.27 3ik4 h THR 18 CO 0.59 0.58 -0.54 -1.83 -0.25 0.00 0.00 175.52 174.07 3ik4 s GLU 19 N -3.01 1.04 -0.15 4.72 -1.05 -1.26 -5.12 118.70 113.87 3ik4 s GLU 19 Ca -0.15 -1.13 0.01 0.00 -0.15 0.00 0.00 54.97 53.55 3ik4 s GLU 19 Cb 0.01 -0.19 -0.23 0.00 -0.44 0.00 0.00 34.13 33.29 3ik4 s GLU 19 CO 0.77 -1.33 0.23 0.00 0.95 0.00 0.00 175.26 175.88 3ik4 n ALA 29 N 3.02 1.19 -2.42 -0.84 0.00 -1.26 -5.09 120.51 115.10 3ik4 n ALA 29 Ca 0.19 -0.83 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 3ik4 n ALA 29 Cb 0.55 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 19.38 3ik4 n ALA 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ik4 s VAL 30 N -2.55 2.43 -0.74 0.00 -7.23 -1.26 -1.90 120.40 109.15 3ik4 s VAL 30 Ca -0.22 -1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 3ik4 s VAL 30 Cb 0.07 -2.11 0.16 0.00 0.56 0.00 0.00 36.38 35.06 3ik4 s VAL 30 CO 0.74 0.02 0.78 0.00 -0.31 0.00 0.00 175.10 176.33 3ik4 s ALA 31 N -1.28 3.69 -1.24 1.32 0.00 -0.08 -4.92 121.76 119.26 3ik4 s ALA 31 Ca 0.17 -2.79 -0.20 0.00 0.00 0.00 0.00 51.96 49.14 3ik4 s ALA 31 Cb -0.09 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 3ik4 s ALA 31 CO 0.08 -2.40 1.85 0.00 0.00 0.00 0.00 175.76 175.30 3ik4 n ALA 32 N 5.33 3.06 -2.09 0.00 0.00 -1.26 -2.07 120.51 123.48 3ik4 n ALA 32 Ca 0.05 -3.52 -0.19 0.00 0.00 0.00 0.00 53.44 49.78 3ik4 n ALA 32 Cb 0.45 -3.56 0.01 0.00 0.00 0.00 0.00 19.45 16.35 3ik4 n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ik4 s ASN 33 N 5.00 5.37 -0.08 0.00 0.01 0.66 -4.48 114.94 121.41 3ik4 s ASN 33 Ca 0.59 -0.61 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 3ik4 s ASN 33 Cb 0.04 -0.44 0.02 0.00 0.41 0.00 0.00 41.25 41.28 3ik4 s ASN 33 CO 0.09 -0.84 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.09 3ik4 s VAL 34 N -2.45 0.81 -0.02 1.60 1.01 -0.14 0.29 120.40 121.51 3ik4 s VAL 34 Ca 0.53 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 3ik4 s VAL 34 Cb -0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3ik4 s VAL 34 CO 0.32 0.32 0.51 -0.76 0.00 0.00 0.00 175.10 175.49 3ik4 s LEU 35 N 1.45 4.42 -0.19 3.92 1.02 -0.19 -0.49 118.68 128.62 3ik4 s LEU 35 Ca -0.01 1.04 -0.02 0.00 0.02 0.00 0.00 54.13 55.17 3ik4 s LEU 35 Cb -0.13 -2.78 -0.00 0.00 0.02 0.00 0.00 46.19 43.30 3ik4 s LEU 35 CO -0.04 0.17 -0.11 -0.69 0.02 0.00 0.00 176.35 175.70 3ik4 s VAL 36 N -0.38 2.93 -0.17 -1.59 1.01 0.84 -2.16 120.40 120.87 3ik4 s VAL 36 Ca 0.27 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3ik4 s VAL 36 Cb -0.17 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3ik4 s VAL 36 CO 0.15 0.48 -0.06 -0.54 0.00 0.00 0.00 175.10 175.13 3ik4 s LYS 37 N 1.13 3.50 0.01 2.72 1.02 -0.11 -0.95 119.74 127.07 3ik4 s LYS 37 Ca 0.01 -0.60 0.08 0.00 0.02 0.00 0.00 55.97 55.49 3ik4 s LYS 37 Cb -0.14 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 3ik4 s LYS 37 CO -0.03 0.09 -0.24 0.14 -0.92 0.00 0.00 175.35 174.38 3ik4 s VAL 38 N 0.73 2.25 -0.11 3.17 -7.23 0.00 -0.82 120.40 118.40 3ik4 s VAL 38 Ca -0.03 -1.22 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 3ik4 s VAL 38 Cb -0.15 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.95 3ik4 s VAL 38 CO 0.02 0.46 -0.21 -1.58 -0.31 0.00 0.00 175.10 173.47 3ik4 s GLN 39 N -1.00 2.81 0.71 4.82 0.74 0.28 -0.55 119.66 127.48 3ik4 s GLN 39 Ca 0.11 -0.79 -0.11 0.00 0.05 0.00 0.00 55.36 54.62 3ik4 s GLN 39 Cb -0.10 -2.19 0.01 0.00 1.10 0.00 0.00 33.01 31.83 3ik4 s GLN 39 CO 0.01 0.09 1.09 -0.51 -0.55 0.00 0.00 175.29 175.43 3ik4 s LEU 40 N 0.55 2.90 0.23 3.68 1.02 0.87 -0.38 118.68 127.55 3ik4 s LEU 40 Ca -0.14 1.18 0.22 0.00 0.02 0.00 0.00 54.13 55.40 3ik4 s LEU 40 Cb -0.17 -3.98 0.94 0.00 0.02 0.00 0.00 46.19 43.00 3ik4 s LEU 40 CO 0.05 -1.36 1.65 0.00 0.02 0.00 0.00 176.35 176.71 3ik4 n ALA 41 N -3.03 1.55 -0.43 4.21 0.00 0.25 -1.73 120.51 121.34 3ik4 n ALA 41 Ca 0.07 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.69 3ik4 n ALA 41 Cb 0.57 -1.35 0.34 0.00 0.00 0.00 0.00 19.45 19.01 3ik4 n ALA 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ik4 n ASP 42 N -2.13 4.40 0.00 0.00 5.75 -1.07 -4.94 116.55 118.57 3ik4 n ASP 42 Ca 0.02 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 3ik4 n ASP 42 Cb 0.19 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 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 1.20 0.78 3.73 6.12 0.00 -0.70 -5.04 105.19 111.28 3ik4 n GLY 43 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.97 3.84 -0.12 2.61 2.01 -1.25 -4.80 115.64 114.96 3ik4 s THR 44 Ca 0.00 1.44 -0.07 0.00 0.31 0.00 0.00 61.69 63.37 3ik4 s THR 44 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3ik4 s THR 44 CO 0.00 0.18 0.12 -0.76 -0.69 0.00 0.00 174.62 173.47 3ik4 s LEU 45 N 0.34 4.25 -0.07 4.42 1.02 -1.26 -0.09 118.68 127.29 3ik4 s LEU 45 Ca 0.55 0.40 0.02 0.00 0.02 0.00 0.00 54.13 55.11 3ik4 s LEU 45 Cb -0.31 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 43.88 3ik4 s LEU 45 CO 0.33 0.38 -0.11 -0.83 0.02 0.00 0.00 176.35 176.14 3ik4 s GLY 46 N -0.86 0.76 -0.09 -3.19 0.00 0.29 -4.15 107.32 100.08 3ik4 s GLY 46 Ca 0.14 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.50 3ik4 s GLY 46 CO 0.03 0.21 -0.19 1.08 0.00 0.00 0.00 173.10 174.23 3ik4 s LEU 47 N 0.78 2.37 0.04 0.66 1.43 -1.26 -0.82 118.68 121.89 3ik4 s LEU 47 Ca -0.13 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3ik4 s LEU 47 Cb -0.15 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3ik4 s LEU 47 CO 0.02 0.22 -0.04 -0.83 0.23 0.00 0.00 176.35 175.95 3ik4 s GLY 48 N 0.01 0.38 -0.09 -3.19 0.00 -0.12 -3.64 107.32 100.67 3ik4 s GLY 48 Ca -0.07 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3ik4 s GLY 48 CO 0.05 -0.97 -0.20 1.85 0.00 0.00 0.00 173.10 173.83 3ik4 s GLU 49 N -2.53 2.55 -0.20 2.90 2.12 -1.26 -0.12 118.70 122.17 3ik4 s GLU 49 Ca -0.05 -0.71 -0.08 0.00 0.36 0.00 0.00 54.97 54.49 3ik4 s GLU 49 Cb -0.02 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.35 3ik4 s GLU 49 CO -0.04 0.12 0.08 0.00 -0.54 0.00 0.00 175.26 174.88 3ik4 s ALA 50 N 0.47 3.44 -0.54 6.30 0.00 0.35 -3.51 121.76 128.27 3ik4 s ALA 50 Ca -0.17 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.04 3ik4 s ALA 50 Cb -0.17 -2.01 0.16 0.00 0.00 0.00 0.00 23.12 21.10 3ik4 s ALA 50 CO 0.07 0.08 0.36 0.00 0.00 0.00 0.00 175.76 176.27 3ik4 s ALA 51 N 0.54 2.73 0.38 0.00 0.00 -1.26 -0.97 121.76 123.19 3ik4 s ALA 51 Ca 0.04 -3.10 -0.22 0.00 0.00 0.00 0.00 51.96 48.68 3ik4 s ALA 51 Cb -0.13 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.93 3ik4 s ALA 51 CO 0.01 -2.05 0.93 -1.25 0.00 0.00 0.00 175.76 173.40 3ik4 s PRO 52 N -0.46 4.33 -0.17 0.00 0.04 -1.26 -4.69 135.00 132.79 3ik4 s PRO 52 Ca 0.24 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 3ik4 s PRO 52 Cb -0.11 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.09 3ik4 s PRO 52 CO -0.11 0.09 0.11 0.12 0.04 0.00 0.00 177.00 177.26 3ik4 s PHE 53 N -1.97 0.10 0.42 0.56 2.19 -1.21 -4.85 117.98 113.20 3ik4 s PHE 53 Ca 0.57 -0.18 0.17 0.00 0.33 0.00 0.00 56.93 57.82 3ik4 s PHE 53 Cb -0.12 -0.62 1.03 0.00 -1.31 0.00 0.00 43.02 42.00 3ik4 s PHE 53 CO 0.17 -0.51 1.96 -1.00 1.83 0.00 0.00 175.22 177.67 3ik4 h PRO 54 N 8.40 0.00 -0.05 10.12 0.13 -1.60 -3.13 132.00 145.87 3ik4 h PRO 54 Ca -0.15 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.85 3ik4 h PRO 54 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3ik4 h PRO 54 CO 0.28 0.22 -0.55 0.00 -0.23 0.00 0.00 178.00 177.72 3ik4 h ALA 55 N 1.78 0.98 0.06 -0.56 0.00 -1.97 -2.86 119.26 116.69 3ik4 h ALA 55 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ik4 h ALA 55 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ik4 h ALA 55 CO 0.03 0.69 -0.03 0.28 0.00 0.00 0.00 179.25 180.22 3ik4 h VAL 56 N 0.12 0.96 -3.08 0.00 2.07 -1.96 -3.46 116.25 110.90 3ik4 h VAL 56 Ca -0.00 -1.54 -0.18 0.00 0.82 0.00 0.00 66.70 65.80 3ik4 h VAL 56 Cb 1.01 1.76 -0.28 0.00 -1.52 0.00 0.00 31.29 32.26 3ik4 h VAL 56 CO 0.08 0.30 -0.46 -0.44 0.02 0.00 0.00 177.57 177.08 3ik4 s SER 57 N -5.77 -0.26 0.00 0.57 0.01 -1.20 -5.06 113.70 101.99 3ik4 s SER 57 Ca -0.11 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.65 3ik4 s SER 57 Cb -0.01 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.68 3ik4 s SER 57 CO 0.42 -0.12 0.30 0.61 0.41 0.00 0.00 173.24 174.86 3ik4 n GLY 58 N 3.56 0.70 3.60 3.44 0.00 -1.08 -4.04 105.19 111.38 3ik4 n GLY 58 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 2.22 4.00 0.62 1.61 2.02 -1.26 -4.92 118.70 122.98 3ik4 s GLU 59 Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.09 3ik4 s GLU 59 Cb 0.00 -3.66 0.11 0.00 0.10 0.00 0.00 34.13 30.68 3ik4 s GLU 59 CO 0.00 -0.29 0.85 0.25 0.02 0.00 0.00 175.26 176.09 3ik4 n THR 60 N 5.12 0.00 -0.00 3.63 -2.24 -1.26 -2.31 114.28 117.22 3ik4 n THR 60 Ca -0.08 -1.83 -0.15 0.00 -2.27 0.00 0.00 64.05 59.72 3ik4 n THR 60 Cb 0.51 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 3ik4 n THR 60 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3ik4 h GLN 61 N 0.00 0.69 -0.27 -0.78 4.15 -1.90 -2.75 115.11 114.26 3ik4 h GLN 61 Ca -0.28 -0.56 -0.18 0.00 0.77 0.00 0.00 58.65 58.39 3ik4 h GLN 61 Cb 1.23 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 29.04 3ik4 h GLN 61 CO 0.38 1.18 -0.54 1.15 -1.93 0.00 0.00 178.83 179.06 3ik4 h THR 62 N 0.47 1.28 -0.06 2.39 2.02 -1.95 -1.90 112.91 115.16 3ik4 h THR 62 Ca -0.05 -1.74 -0.10 0.00 0.77 0.00 0.00 66.41 65.30 3ik4 h THR 62 Cb 1.38 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 3ik4 h THR 62 CO 0.15 0.56 -0.42 1.23 0.37 0.00 0.00 175.52 177.41 3ik4 h GLY 63 N 0.79 0.14 0.75 2.16 0.00 -1.96 0.12 103.07 105.08 3ik4 h GLY 63 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3ik4 h GLY 63 CO 0.12 0.12 -0.20 -0.84 0.00 0.00 0.00 176.54 175.74 3ik4 h THR 64 N 0.11 1.36 -0.71 4.70 2.02 -1.44 -1.62 112.91 117.33 3ik4 h THR 64 Ca 0.01 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.70 3ik4 h THR 64 Cb 0.80 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 3ik4 h THR 64 CO 0.06 0.42 0.21 0.28 0.37 0.00 0.00 175.52 176.86 3ik4 h SER 65 N -0.00 1.04 0.12 4.18 0.02 -1.17 -1.00 113.55 116.73 3ik4 h SER 65 Ca 0.01 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 3ik4 h SER 65 Cb 0.77 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3ik4 h SER 65 CO 0.05 0.97 -0.29 0.00 -1.14 0.00 0.00 176.83 176.42 3ik4 h ALA 66 N 1.16 1.24 -0.25 3.77 0.00 -0.80 -1.97 119.26 122.41 3ik4 h ALA 66 Ca 0.23 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3ik4 h ALA 66 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ik4 h ALA 66 CO -0.00 0.51 -0.55 0.00 0.00 0.00 0.00 179.25 179.20 3ik4 h ALA 67 N 1.45 0.41 -0.65 0.00 0.00 -0.88 -2.46 119.26 117.14 3ik4 h ALA 67 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3ik4 h ALA 67 Cb 0.64 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3ik4 h ALA 67 CO 0.05 0.63 0.08 0.82 0.00 0.00 0.00 179.25 180.83 3ik4 h ILE 68 N 0.59 1.26 -0.39 0.00 2.04 -1.13 -2.30 117.51 117.58 3ik4 h ILE 68 Ca 0.00 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 64.87 3ik4 h ILE 68 Cb 1.17 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 3ik4 h ILE 68 CO 0.12 0.40 -0.02 -0.33 0.00 0.00 0.00 178.15 178.32 3ik4 h GLU 69 N 1.01 0.08 -0.04 2.37 4.39 -1.32 -2.65 114.58 118.42 3ik4 h GLU 69 Ca 0.20 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 3ik4 h GLU 69 Cb 0.47 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3ik4 h GLU 69 CO 0.02 0.05 -0.46 0.00 -1.16 0.00 0.00 179.01 177.47 3ik4 h ARG 70 N 0.08 0.09 -0.00 2.33 3.08 -1.29 -3.19 114.38 115.48 3ik4 h ARG 70 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3ik4 h ARG 70 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3ik4 h ARG 70 CO -0.34 0.53 -0.22 1.28 -1.07 0.00 0.00 179.97 180.15 3ik4 n LEU 71 N -3.99 0.57 0.28 3.04 4.77 -0.88 -4.03 117.00 116.76 3ik4 n LEU 71 Ca -0.02 -0.01 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3ik4 n LEU 71 Cb 0.49 -0.22 0.80 0.00 -2.33 0.00 0.00 43.42 42.17 3ik4 n LEU 71 CO 0.41 0.11 1.03 1.56 -1.33 0.00 0.00 177.39 179.18 3ik4 h GLN 72 N 0.55 0.00 0.00 3.23 4.20 -1.47 -2.41 115.11 119.21 3ik4 h GLN 72 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3ik4 h GLN 72 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3ik4 h GLN 72 CO 0.00 0.07 -0.17 0.66 -0.67 0.00 0.00 178.83 178.72 3ik4 h SER 73 N 0.00 0.00 1.24 1.46 4.64 -1.82 -2.46 113.55 116.62 3ik4 h SER 73 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ik4 h SER 73 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3ik4 h SER 73 CO 0.01 0.17 -0.55 0.45 -0.87 0.00 0.00 176.83 176.04 3ik4 h HIS 74 N 0.00 0.00 0.00 4.77 3.86 -1.71 -3.40 115.15 118.66 3ik4 h HIS 74 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 3ik4 h HIS 74 Cb 0.64 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 3ik4 h HIS 74 CO 0.00 0.00 -1.54 1.28 0.86 0.00 0.00 177.93 178.53 3ik4 n LEU 75 N -2.56 0.22 -4.68 2.43 4.77 -1.15 -4.72 117.00 111.31 3ik4 n LEU 75 Ca 0.02 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 3ik4 n LEU 75 Cb 0.50 0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 3ik4 n LEU 75 CO 0.36 0.23 1.02 -0.22 -1.33 0.00 0.00 177.39 177.45 3ik4 s LEU 76 N -4.65 4.24 0.00 2.23 2.96 -0.94 -2.08 118.68 120.44 3ik4 s LEU 76 Ca -0.05 1.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 3ik4 s LEU 76 Cb 0.02 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3ik4 s LEU 76 CO 0.31 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 3ik4 n GLY 77 N 3.48 3.31 3.78 7.98 0.00 -0.40 -4.98 105.19 118.36 3ik4 n GLY 77 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.49 2.70 -0.27 4.61 0.00 -0.88 -4.57 121.76 120.85 3ik4 s ALA 78 Ca 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 3ik4 s ALA 78 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3ik4 s ALA 78 CO 0.00 -0.75 1.01 0.34 0.00 0.00 0.00 175.76 176.36 3ik4 s ASP 79 N -2.04 6.98 0.49 0.00 3.68 -1.26 -1.38 116.67 123.13 3ik4 s ASP 79 Ca 0.70 1.17 0.33 0.00 2.13 0.00 0.00 52.55 56.87 3ik4 s ASP 79 Cb -0.21 -2.52 1.69 0.00 -1.45 0.00 0.00 42.92 40.43 3ik4 s ASP 79 CO 0.28 -0.73 2.00 1.62 0.13 0.00 0.00 175.17 178.48 3ik4 h VAL 80 N 5.57 0.00 -0.12 1.11 3.04 -1.73 -2.33 116.25 121.79 3ik4 h VAL 80 Ca -0.20 -0.10 -0.06 0.00 -1.01 0.00 0.00 66.70 65.32 3ik4 h VAL 80 Cb 1.07 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 3ik4 h VAL 80 CO 0.98 0.00 -0.22 0.03 -1.01 0.00 0.00 177.57 177.35 3ik4 h ARG 81 N 0.00 0.20 -1.98 4.17 2.47 -1.91 -3.15 114.38 114.18 3ik4 h ARG 81 Ca 0.00 -0.06 -0.30 0.00 -1.26 0.00 0.00 59.98 58.36 3ik4 h ARG 81 Cb 0.12 -0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 28.31 3ik4 h ARG 81 CO 0.00 0.42 -0.05 0.41 0.56 0.00 0.00 179.97 181.31 3ik4 n GLY 82 N -0.68 3.52 0.35 0.04 0.00 -0.88 -4.73 105.19 102.81 3ik4 n GLY 82 Ca -0.01 -1.41 0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 2.86 0.89 -0.50 1.61 5.08 -1.78 -1.04 115.95 123.06 3ik4 h TRP 83 Ca 0.26 0.02 -0.13 0.00 1.08 0.00 0.00 58.89 60.13 3ik4 h TRP 83 Cb 1.18 -0.30 -0.01 0.00 -3.00 0.00 0.00 29.16 27.02 3ik4 h TRP 83 CO 1.57 0.52 -0.18 0.00 -1.28 0.00 0.00 178.44 179.06 3ik4 h ARG 84 N 0.92 1.01 -0.55 0.12 3.08 -1.92 -1.79 114.38 115.25 3ik4 h ARG 84 Ca 0.30 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 3ik4 h ARG 84 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3ik4 h ARG 84 CO -0.08 1.09 0.10 -0.22 -1.07 0.00 0.00 179.97 179.79 3ik4 h LYS 85 N 0.88 0.91 -0.30 0.04 3.64 -1.77 -1.68 116.57 118.28 3ik4 h LYS 85 Ca 0.12 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.09 3ik4 h LYS 85 Cb 0.76 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3ik4 h LYS 85 CO 0.06 0.87 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.55 3ik4 h LEU 86 N 0.81 0.91 -0.69 5.20 3.38 -1.20 -0.16 115.31 123.54 3ik4 h LEU 86 Ca 0.17 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ik4 h LEU 86 Cb 0.39 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3ik4 h LEU 86 CO 0.01 1.24 0.45 0.00 0.09 0.00 0.00 178.44 180.23 3ik4 h ALA 87 N 0.78 0.89 -0.37 1.53 0.00 -1.26 -1.10 119.26 119.73 3ik4 h ALA 87 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3ik4 h ALA 87 Cb 1.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3ik4 h ALA 87 CO 0.11 0.27 -0.10 0.00 0.00 0.00 0.00 179.25 179.53 3ik4 h ALA 88 N 1.27 1.14 -0.06 0.00 0.00 -1.06 -2.57 119.26 117.98 3ik4 h ALA 88 Ca 0.26 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3ik4 h ALA 88 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ik4 h ALA 88 CO -0.07 0.54 -0.69 0.52 0.00 0.00 0.00 179.25 179.55 3ik4 h MET 89 N 0.58 0.28 -0.61 0.00 2.07 -0.58 -2.87 114.93 113.80 3ik4 h MET 89 Ca 0.11 -0.22 -0.05 0.00 -2.07 0.00 0.00 59.70 57.46 3ik4 h MET 89 Cb 0.52 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.27 3ik4 h MET 89 CO 0.03 0.86 0.19 -0.07 1.07 0.00 0.00 176.91 178.99 3ik4 h LEU 90 N 0.20 0.89 -0.91 1.22 3.38 -1.08 -2.91 115.31 116.09 3ik4 h LEU 90 Ca -0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3ik4 h LEU 90 Cb 1.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3ik4 h LEU 90 CO 0.11 0.87 0.28 -0.78 0.09 0.00 0.00 178.44 179.00 3ik4 h ASP 91 N 0.87 0.99 -0.02 -0.43 -0.00 -1.36 0.63 116.42 117.10 3ik4 h ASP 91 Ca 0.20 -0.15 -0.14 0.00 -0.00 0.00 0.00 57.03 56.94 3ik4 h ASP 91 Cb 0.30 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.36 3ik4 h ASP 91 CO -0.01 0.88 -0.45 0.45 -0.00 0.00 0.00 179.24 180.12 3ik4 h HIS 92 N 1.05 0.67 0.25 0.28 3.86 -1.51 -2.51 115.15 117.24 3ik4 h HIS 92 Ca 0.24 -0.21 -0.34 0.00 -1.16 0.00 0.00 60.37 58.90 3ik4 h HIS 92 Cb 0.21 -0.14 0.04 0.00 1.06 0.00 0.00 27.41 28.58 3ik4 h HIS 92 CO 0.02 0.91 -1.50 0.00 0.86 0.00 0.00 177.93 178.21 3ik4 h ALA 93 N 1.06 -0.13 -1.53 2.45 0.00 -1.30 -3.42 119.26 116.39 3ik4 h ALA 93 Ca 0.03 -0.88 -0.42 0.00 0.00 0.00 0.00 54.91 53.63 3ik4 h ALA 93 Cb 0.96 0.20 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 3ik4 h ALA 93 CO 0.09 0.73 -1.03 -1.91 0.00 0.00 0.00 179.25 177.12 3ik4 n GLU 94 N -3.70 0.99 -0.34 0.00 4.07 0.20 -4.98 120.64 116.87 3ik4 n GLU 94 Ca -0.17 -3.06 0.03 0.00 -0.06 0.00 0.00 57.16 53.90 3ik4 n GLU 94 Cb 1.10 -1.53 0.18 0.00 -0.06 0.00 0.00 31.44 31.12 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 2.99 1.08 0.00 4.31 -0.00 -1.61 -2.77 115.15 119.14 3ik4 h HIS 95 Ca 0.05 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 3ik4 h HIS 95 Cb 1.01 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 3ik4 h HIS 95 CO 0.43 0.52 -0.21 0.93 -0.00 0.00 0.00 177.93 179.59 3ik4 h GLU 96 N 1.03 0.00 -2.83 5.26 3.07 -1.94 -3.31 114.58 115.86 3ik4 h GLU 96 Ca 0.42 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.55 3ik4 h GLU 96 Cb 0.26 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.06 3ik4 h GLU 96 CO -0.20 0.21 2.53 0.00 -1.40 0.00 0.00 179.01 180.15 3ik4 n ALA 97 N -2.18 6.64 0.05 3.43 0.00 -1.05 -4.75 120.51 122.64 3ik4 n ALA 97 Ca 0.01 -4.06 0.03 0.00 0.00 0.00 0.00 53.44 49.42 3ik4 n ALA 97 Cb 0.49 -2.89 0.40 0.00 0.00 0.00 0.00 19.45 17.46 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 4.86 1.60 -0.08 0.00 0.00 -1.79 -2.30 119.26 121.55 3ik4 h ALA 98 Ca 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 3ik4 h ALA 98 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ik4 h ALA 98 CO 1.55 0.31 -0.00 0.00 0.00 0.00 0.00 179.25 181.10 3ik4 h ALA 99 N 1.68 0.10 -0.50 0.00 0.00 -1.85 -1.47 119.26 117.22 3ik4 h ALA 99 Ca 0.10 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3ik4 h ALA 99 Cb 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3ik4 h ALA 99 CO -0.01 -0.21 0.10 0.00 0.00 0.00 0.00 179.25 179.13 3ik4 h ALA 100 N 0.73 0.56 -0.29 0.00 0.00 -1.79 -0.70 119.26 117.78 3ik4 h ALA 100 Ca 0.02 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3ik4 h ALA 100 Cb 0.35 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ik4 h ALA 100 CO 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 179.25 178.66 3ik4 h ARG 101 N 0.24 0.59 -0.35 0.00 3.08 -1.38 -1.59 114.38 114.97 3ik4 h ARG 101 Ca 0.25 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3ik4 h ARG 101 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3ik4 h ARG 101 CO -0.33 0.81 -0.12 0.00 -1.07 0.00 0.00 179.97 179.27 3ik4 h GLY 103 N 0.48 0.38 0.95 0.00 0.00 -0.97 -1.29 103.07 102.62 3ik4 h GLY 103 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3ik4 h GLY 103 CO 0.04 -0.05 0.12 1.41 0.00 0.00 0.00 176.54 178.06 3ik4 h LEU 104 N 0.15 0.64 -0.68 3.11 3.38 -1.23 -2.27 115.31 118.40 3ik4 h LEU 104 Ca 0.17 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3ik4 h LEU 104 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3ik4 h LEU 104 CO -0.25 0.69 0.15 -0.33 0.09 0.00 0.00 178.44 178.79 3ik4 h GLU 105 N 0.55 1.09 -0.51 1.13 5.08 -1.06 -1.09 114.58 119.77 3ik4 h GLU 105 Ca 0.14 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3ik4 h GLU 105 Cb 0.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3ik4 h GLU 105 CO -0.00 0.98 0.31 0.52 -1.00 0.00 0.00 179.01 179.82 3ik4 h MET 106 N 1.02 0.70 -0.66 2.33 2.86 -1.17 -0.42 114.93 119.58 3ik4 h MET 106 Ca 0.21 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3ik4 h MET 106 Cb 0.39 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3ik4 h MET 106 CO 0.00 0.50 0.18 0.00 1.06 0.00 0.00 176.91 178.66 3ik4 h ALA 107 N 1.15 0.87 -0.45 6.32 0.00 -1.26 -0.86 119.26 125.03 3ik4 h ALA 107 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ik4 h ALA 107 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3ik4 h ALA 107 CO -0.03 0.56 0.22 1.98 0.00 0.00 0.00 179.25 181.97 3ik4 h MET 108 N 0.97 0.64 0.00 0.00 -1.53 -0.99 -1.79 114.93 112.23 3ik4 h MET 108 Ca 0.21 -0.09 -0.03 0.00 -3.44 0.00 0.00 59.70 56.35 3ik4 h MET 108 Cb 0.33 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 31.26 3ik4 h MET 108 CO -0.00 0.55 -0.24 -0.07 0.14 0.00 0.00 176.91 177.29 3ik4 h LEU 109 N 0.58 0.00 -0.09 3.39 3.38 -0.98 -1.13 115.31 120.46 3ik4 h LEU 109 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3ik4 h LEU 109 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ik4 h LEU 109 CO -0.02 0.12 -0.31 -0.78 0.09 0.00 0.00 178.44 177.55 3ik4 h ASP 110 N 0.00 0.43 -0.67 -0.43 3.58 -1.05 -2.80 116.42 115.48 3ik4 h ASP 110 Ca -0.01 -0.62 -0.06 0.00 0.42 0.00 0.00 57.03 56.77 3ik4 h ASP 110 Cb 1.10 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 3ik4 h ASP 110 CO 0.02 0.97 0.20 0.00 -2.88 0.00 0.00 179.24 177.54 3ik4 h ALA 111 N 0.47 0.88 0.28 -0.78 0.00 -1.29 -2.15 119.26 116.66 3ik4 h ALA 111 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ik4 h ALA 111 Cb 0.94 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ik4 h ALA 111 CO 0.07 0.56 -0.13 1.25 0.00 0.00 0.00 179.25 181.00 3ik4 h LEU 112 N 0.98 -0.32 -1.11 0.00 5.85 -1.28 -1.78 115.31 117.65 3ik4 h LEU 112 Ca 0.21 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3ik4 h LEU 112 Cb 0.32 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3ik4 h LEU 112 CO -0.00 -0.09 -0.38 0.71 -0.34 0.00 0.00 178.44 178.34 3ik4 h THR 113 N -0.54 1.03 -0.08 1.05 1.35 -1.52 -2.70 112.91 111.50 3ik4 h THR 113 Ca -0.04 -1.43 -0.16 0.00 -0.55 0.00 0.00 66.41 64.24 3ik4 h THR 113 Cb 0.40 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3ik4 h THR 113 CO 0.06 0.37 -0.64 0.03 -0.25 0.00 0.00 175.52 175.10 3ik4 h ARG 114 N 0.00 0.29 -0.42 4.72 3.08 -1.35 0.55 114.38 121.24 3ik4 h ARG 114 Ca -0.00 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 59.87 3ik4 h ARG 114 Cb 0.80 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3ik4 h ARG 114 CO 0.05 0.83 0.28 1.25 -1.07 0.00 0.00 179.97 181.31 3ik4 h HIS 115 N 0.21 0.42 -0.44 3.04 2.76 -0.99 -2.17 115.15 117.99 3ik4 h HIS 115 Ca -0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3ik4 h HIS 115 Cb 1.16 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.98 3ik4 h HIS 115 CO 0.03 0.25 0.00 0.66 -1.30 0.00 0.00 177.93 177.57 3ik4 n TYR 116 N -4.48 0.57 -2.84 5.26 4.01 -1.13 -4.95 117.16 113.60 3ik4 n TYR 116 Ca 0.04 -0.28 -0.21 0.00 -0.16 0.00 0.00 57.90 57.28 3ik4 n TYR 116 Cb 0.16 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.54 -1.68 -4.46 -0.72 8.25 -0.82 -5.00 115.22 112.33 3ik4 n HIS 117 Ca 0.20 0.38 -0.34 0.00 -0.26 0.00 0.00 57.72 57.71 3ik4 n HIS 117 Cb 0.62 -4.30 -0.12 0.00 1.12 0.00 0.00 29.99 27.30 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 -5.51 3.52 0.43 -0.41 0.00 0.18 -4.78 119.30 112.74 3ik4 s MET 118 Ca 0.22 -0.53 -0.25 0.00 0.00 0.00 0.00 55.69 55.13 3ik4 s MET 118 Cb -0.10 -2.85 -0.08 0.00 0.00 0.00 0.00 34.83 31.81 3ik4 s MET 118 CO 0.27 0.30 1.24 -2.14 0.00 0.00 0.00 175.02 174.69 3ik4 s PRO 119 N 0.18 3.86 0.43 4.11 0.02 -1.26 -1.39 135.00 140.94 3ik4 s PRO 119 Ca -0.02 1.98 0.19 0.00 0.02 0.00 0.00 61.00 63.16 3ik4 s PRO 119 Cb -0.14 -2.60 0.97 0.00 0.02 0.00 0.00 34.50 32.75 3ik4 s PRO 119 CO 0.03 -0.53 1.90 -0.07 -0.33 0.00 0.00 177.00 178.00 3ik4 h LEU 120 N 2.39 0.00 -1.12 -5.54 3.38 -1.68 -1.85 115.31 110.89 3ik4 h LEU 120 Ca -0.49 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 3ik4 h LEU 120 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3ik4 h LEU 120 CO 0.61 0.27 -0.21 1.12 0.09 0.00 0.00 178.44 180.32 3ik4 h HIS 121 N 0.00 0.39 -0.27 1.13 2.07 -1.83 -0.74 115.15 115.90 3ik4 h HIS 121 Ca -0.00 -0.07 -0.17 0.00 -2.85 0.00 0.00 60.37 57.28 3ik4 h HIS 121 Cb 0.57 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.45 3ik4 h HIS 121 CO 0.00 0.55 -0.50 0.28 -3.07 0.00 0.00 177.93 175.19 3ik4 h VAL 122 N 0.32 1.29 -0.60 6.12 2.07 -1.75 0.88 116.25 124.58 3ik4 h VAL 122 Ca 0.05 -1.70 0.07 0.00 0.82 0.00 0.00 66.70 65.95 3ik4 h VAL 122 Cb 0.56 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 3ik4 h VAL 122 CO 0.04 0.55 0.28 0.15 0.02 0.00 0.00 177.57 178.60 3ik4 h PHE 123 N 0.57 0.50 -0.00 1.57 3.04 -1.15 -2.75 116.94 118.72 3ik4 h PHE 123 Ca 0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3ik4 h PHE 123 Cb 1.11 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.49 3ik4 h PHE 123 CO 0.08 0.20 -0.05 1.19 -2.02 0.00 0.00 178.31 177.70 3ik4 n PHE 124 N -4.90 0.00 0.00 0.41 0.99 -0.30 -4.93 117.46 108.72 3ik4 n PHE 124 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 3ik4 n PHE 124 Cb 0.21 -0.11 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 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 1.19 3.91 0.95 1.37 0.00 -0.97 -3.16 105.19 108.47 3ik4 n GLY 125 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.15 0.25 -0.02 0.00 0.12 -4.86 105.19 101.83 3ik4 n GLY 126 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 0.56 -4.21 1.61 2.07 -1.05 -3.46 116.25 111.77 3ik4 h VAL 127 Ca 0.00 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.02 3ik4 h VAL 127 Cb 0.40 0.56 -0.13 0.00 -1.52 0.00 0.00 31.29 30.60 3ik4 h VAL 127 CO 0.00 0.00 -0.49 -0.94 0.02 0.00 0.00 177.57 176.16 3ik4 s SER 128 N -4.77 2.03 -0.03 0.57 1.04 0.69 -5.03 113.70 108.19 3ik4 s SER 128 Ca -0.16 -1.74 0.04 0.00 0.48 0.00 0.00 55.95 54.57 3ik4 s SER 128 Cb 0.06 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.80 3ik4 s SER 128 CO 0.64 -1.03 0.90 0.29 0.98 0.00 0.00 173.24 175.02 3ik4 n LYS 129 N -0.72 0.95 -3.77 4.02 5.02 -1.26 -4.27 118.16 118.13 3ik4 n LYS 129 Ca 0.03 -1.33 -0.14 0.00 -2.02 0.00 0.00 58.31 54.86 3ik4 n LYS 129 Cb 0.63 -0.83 -0.15 0.00 -0.02 0.00 0.00 35.03 34.66 3ik4 n LYS 129 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3ik4 s GLN 130 N -0.87 0.03 0.08 1.97 0.74 -1.26 -0.11 119.66 120.25 3ik4 s GLN 130 Ca 0.07 0.25 0.05 0.00 0.05 0.00 0.00 55.36 55.78 3ik4 s GLN 130 Cb 0.06 -0.18 -0.03 0.00 1.10 0.00 0.00 33.01 33.96 3ik4 s GLN 130 CO 0.01 -0.15 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.97 3ik4 s LEU 131 N 0.97 2.33 -0.29 3.68 1.43 -0.24 -4.94 118.68 121.61 3ik4 s LEU 131 Ca -0.08 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 3ik4 s LEU 131 Cb -0.11 -0.43 0.06 0.00 0.03 0.00 0.00 46.19 45.75 3ik4 s LEU 131 CO -0.04 -0.15 -0.03 -1.61 0.23 0.00 0.00 176.35 174.75 3ik4 s GLU 132 N -2.16 2.23 0.23 1.70 0.41 -1.26 0.08 118.70 119.93 3ik4 s GLU 132 Ca 0.01 -1.40 -0.02 0.00 -0.41 0.00 0.00 54.97 53.15 3ik4 s GLU 132 Cb -0.07 -3.08 -0.05 0.00 -1.78 0.00 0.00 34.13 29.15 3ik4 s GLU 132 CO 0.02 -0.66 0.45 -0.08 -0.49 0.00 0.00 175.26 174.50 3ik4 s THR 133 N 1.14 5.14 0.43 3.63 -1.32 -1.16 -4.33 115.64 119.17 3ik4 s THR 133 Ca -0.04 -0.22 -0.03 0.00 -1.21 0.00 0.00 61.69 60.18 3ik4 s THR 133 Cb -0.20 -3.74 0.09 0.00 -1.51 0.00 0.00 72.50 67.15 3ik4 s THR 133 CO -0.04 -0.23 0.59 -0.90 -2.21 0.00 0.00 174.62 171.83 3ik4 n ASP 134 N -0.78 0.50 -3.85 8.08 5.75 -0.64 -4.62 116.55 120.99 3ik4 n ASP 134 Ca -0.04 -1.49 -0.12 0.00 -0.01 0.00 0.00 54.79 53.14 3ik4 n ASP 134 Cb 0.54 -0.41 -0.12 0.00 -1.03 0.00 0.00 41.12 40.10 3ik4 n ASP 134 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3ik4 s MET 135 N -4.06 0.18 0.35 0.11 1.75 -1.21 -4.51 119.30 111.91 3ik4 s MET 135 Ca 0.37 0.01 -0.11 0.00 -1.25 0.00 0.00 55.69 54.71 3ik4 s MET 135 Cb -0.02 0.08 -0.07 0.00 2.84 0.00 0.00 34.83 37.66 3ik4 s MET 135 CO 0.25 -0.03 0.71 0.99 -0.65 0.00 0.00 175.02 176.29 3ik4 s THR 136 N -0.25 4.80 -0.18 10.11 2.01 -1.26 -1.04 115.64 129.83 3ik4 s THR 136 Ca -0.03 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.60 3ik4 s THR 136 Cb -0.02 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.83 3ik4 s THR 136 CO 0.00 -0.36 -0.14 -0.63 -0.69 0.00 0.00 174.62 172.81 3ik4 s ILE 137 N -2.17 1.72 -0.16 1.82 1.01 0.50 -4.88 121.20 119.04 3ik4 s ILE 137 Ca 0.51 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 3ik4 s ILE 137 Cb -0.10 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3ik4 s ILE 137 CO 0.26 0.34 0.01 0.42 0.00 0.00 0.00 174.94 175.98 3ik4 s THR 138 N 1.40 4.36 0.00 2.92 -4.23 -1.26 -3.11 115.64 115.72 3ik4 s THR 138 Ca 0.02 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3ik4 s THR 138 Cb -0.14 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3ik4 s THR 138 CO -0.10 0.48 0.00 0.00 -0.54 0.00 0.00 174.62 174.46 3ik4 n ALA 139 N 3.46 0.00 0.00 3.99 0.00 -1.26 -5.06 120.51 121.63 3ik4 n ALA 139 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ik4 n ALA 139 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.78 0.00 0.00 0.00 -1.26 -4.67 105.19 96.48 3ik4 n GLY 140 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.10 0.00 -0.22 1.61 5.68 -1.26 -4.49 116.55 116.76 3ik4 n ASP 141 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 3ik4 n ASP 141 Cb 0.00 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.01 3ik4 n ASP 141 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3ik4 h GLU 142 N 0.00 0.85 0.03 0.11 9.09 -1.95 -1.30 114.58 121.42 3ik4 h GLU 142 Ca 0.00 -0.10 -0.28 0.00 0.05 0.00 0.00 59.36 59.03 3ik4 h GLU 142 Cb 0.00 -0.17 -0.03 0.00 -1.65 0.00 0.00 28.75 26.90 3ik4 h GLU 142 CO 0.00 0.65 -1.49 0.28 0.05 0.00 0.00 179.01 178.50 3ik4 h VAL 143 N 0.83 1.14 -0.46 -1.06 2.07 -1.98 -3.12 116.25 113.68 3ik4 h VAL 143 Ca 0.22 -2.91 -0.08 0.00 0.82 0.00 0.00 66.70 64.75 3ik4 h VAL 143 Cb 0.04 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3ik4 h VAL 143 CO -0.03 0.72 -0.06 0.45 0.02 0.00 0.00 177.57 178.66 3ik4 h HIS 144 N 0.02 0.85 0.00 1.57 3.86 -1.88 -1.88 115.15 117.69 3ik4 h HIS 144 Ca -0.21 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 3ik4 h HIS 144 Cb 1.95 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 30.19 3ik4 h HIS 144 CO 0.02 0.82 -0.20 0.00 0.86 0.00 0.00 177.93 179.43 3ik4 h ALA 145 N 1.21 0.90 -0.12 2.45 0.00 -1.38 -3.15 119.26 119.17 3ik4 h ALA 145 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3ik4 h ALA 145 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ik4 h ALA 145 CO 0.03 0.00 -0.65 0.00 0.00 0.00 0.00 179.25 178.63 3ik4 h ALA 146 N 2.10 0.24 -0.24 0.00 0.00 -1.38 -2.51 119.26 117.47 3ik4 h ALA 146 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 3ik4 h ALA 146 Cb 0.95 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ik4 h ALA 146 CO 0.00 0.53 -0.35 0.00 0.00 0.00 0.00 179.25 179.42 3ik4 h ALA 147 N 0.50 0.94 -0.45 0.00 0.00 -1.45 -2.65 119.26 116.16 3ik4 h ALA 147 Ca -0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3ik4 h ALA 147 Cb 1.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ik4 h ALA 147 CO 0.13 0.62 0.22 0.77 0.00 0.00 0.00 179.25 180.99 3ik4 h SER 148 N 0.44 0.58 -0.15 0.00 0.02 -1.59 -2.59 113.55 110.25 3ik4 h SER 148 Ca 0.05 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3ik4 h SER 148 Cb 0.82 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3ik4 h SER 148 CO 0.07 0.53 -0.12 0.00 -1.14 0.00 0.00 176.83 176.17 3ik4 h ALA 149 N 1.07 1.24 -0.28 3.77 0.00 -1.31 -2.10 119.26 121.65 3ik4 h ALA 149 Ca 0.15 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3ik4 h ALA 149 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ik4 h ALA 149 CO -0.02 0.50 -0.30 0.87 0.00 0.00 0.00 179.25 180.30 3ik4 h LYS 150 N 0.47 0.58 0.00 0.00 1.79 -1.43 -3.20 116.57 114.78 3ik4 h LYS 150 Ca 0.09 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 3ik4 h LYS 150 Cb 0.49 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3ik4 h LYS 150 CO 0.03 0.81 0.00 0.00 -1.08 0.00 0.00 179.45 179.21 3ik4 h ALA 151 N 1.18 1.00 0.09 3.86 0.00 -0.98 -3.04 119.26 121.38 3ik4 h ALA 151 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 3ik4 h ALA 151 Cb 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3ik4 h ALA 151 CO 0.06 0.00 -2.11 -0.89 0.00 0.00 0.00 179.25 176.31 3ik4 n ILE 152 N -2.44 1.71 0.18 0.00 5.41 -1.06 -3.51 119.36 119.65 3ik4 n ILE 152 Ca 0.03 -0.64 0.06 0.00 1.00 0.00 0.00 62.75 63.21 3ik4 n ILE 152 Cb 0.34 -1.65 0.19 0.00 -0.71 0.00 0.00 39.64 37.81 3ik4 n ILE 152 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3ik4 h LEU 153 N 0.05 0.00 -1.18 1.39 4.07 -1.65 -2.69 115.31 115.31 3ik4 h LEU 153 Ca -0.46 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.43 3ik4 h LEU 153 Cb 2.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.74 3ik4 h LEU 153 CO 0.05 0.34 -0.31 0.00 -1.08 0.00 0.00 178.44 177.43 3ik4 h ALA 154 N 1.66 1.10 0.00 1.53 0.00 -1.70 -2.88 119.26 118.97 3ik4 h ALA 154 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3ik4 h ALA 154 Cb 1.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ik4 h ALA 154 CO 0.04 0.39 -0.19 -0.09 0.00 0.00 0.00 179.25 179.41 3ik4 h ARG 155 N 0.00 0.00 0.00 0.00 2.43 -1.53 -3.47 114.38 111.81 3ik4 h ARG 155 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ik4 h ARG 155 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3ik4 h ARG 155 CO 0.04 0.19 0.00 0.41 -1.51 0.00 0.00 179.97 179.10 3ik4 n GLY 156 N 0.64 2.00 3.35 2.80 0.00 -1.09 -4.42 105.19 108.47 3ik4 n GLY 156 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 3.71 -0.03 -0.61 1.01 -1.07 -1.61 121.20 120.61 3ik4 s ILE 157 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 3ik4 s ILE 157 Cb 0.00 -2.76 -0.20 0.00 0.01 0.00 0.00 42.46 39.51 3ik4 s ILE 157 CO 0.00 0.33 1.25 0.11 0.00 0.00 0.00 174.94 176.62 3ik4 h LYS 158 N 8.16 0.02 -6.35 2.79 6.56 -1.88 -3.37 116.57 122.50 3ik4 h LYS 158 Ca -0.38 -0.01 -0.63 0.00 -1.06 0.00 0.00 60.65 58.57 3ik4 h LYS 158 Cb 1.16 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.70 3ik4 h LYS 158 CO 0.59 0.53 -0.66 -1.54 -2.06 0.00 0.00 179.45 176.31 3ik4 s SER 159 N -5.74 4.92 0.22 0.86 1.04 -1.26 -4.15 113.70 109.58 3ik4 s SER 159 Ca -0.16 -0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.07 3ik4 s SER 159 Cb 0.02 -1.12 -0.05 0.00 0.10 0.00 0.00 66.02 64.96 3ik4 s SER 159 CO 0.68 0.14 -0.10 0.27 0.98 0.00 0.00 173.24 175.20 3ik4 s ILE 160 N -1.48 1.59 -0.14 -1.02 -5.25 -0.79 -3.32 121.20 110.79 3ik4 s ILE 160 Ca 0.26 -2.16 0.02 0.00 -0.99 0.00 0.00 60.65 57.78 3ik4 s ILE 160 Cb -0.11 -2.16 0.01 0.00 2.95 0.00 0.00 42.46 43.16 3ik4 s ILE 160 CO 0.18 -0.51 -0.19 -0.75 -1.79 0.00 0.00 174.94 171.88 3ik4 s LYS 161 N -3.70 2.78 0.14 0.37 2.20 -0.21 -1.03 119.74 120.30 3ik4 s LYS 161 Ca 0.24 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 3ik4 s LYS 161 Cb 0.01 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.97 3ik4 s LYS 161 CO 0.08 -0.09 0.16 0.14 -0.36 0.00 0.00 175.35 175.28 3ik4 s VAL 162 N 1.02 4.71 -0.37 4.02 -7.23 -0.26 -0.37 120.40 121.90 3ik4 s VAL 162 Ca -0.03 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 3ik4 s VAL 162 Cb -0.15 -3.38 0.12 0.00 0.56 0.00 0.00 36.38 33.53 3ik4 s VAL 162 CO -0.05 -0.06 0.15 -0.75 -0.31 0.00 0.00 175.10 174.08 3ik4 s LYS 163 N -3.00 1.10 0.52 4.82 2.20 -1.18 -0.56 119.74 123.64 3ik4 s LYS 163 Ca 0.32 -1.62 -0.02 0.00 -0.36 0.00 0.00 55.97 54.28 3ik4 s LYS 163 Cb -0.11 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.87 3ik4 s LYS 163 CO 0.24 -1.06 0.78 0.95 -0.36 0.00 0.00 175.35 175.90 3ik4 s THR 164 N 0.93 3.71 -0.11 3.43 -4.23 -1.01 -4.41 115.64 113.94 3ik4 s THR 164 Ca 0.13 -0.31 -0.28 0.00 -1.18 0.00 0.00 61.69 60.06 3ik4 s THR 164 Cb -0.21 -3.41 -0.26 0.00 1.34 0.00 0.00 72.50 69.95 3ik4 s THR 164 CO -0.11 -0.35 0.83 0.00 -0.54 0.00 0.00 174.62 174.45 3ik4 h ALA 165 N 0.12 -0.01 0.00 3.99 0.00 -1.88 -3.42 119.26 118.06 3ik4 h ALA 165 Ca -0.45 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3ik4 h ALA 165 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ik4 h ALA 165 CO 0.58 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3ik4 n GLY 166 N 1.51 2.89 0.14 0.00 0.00 -1.26 -4.19 105.19 104.28 3ik4 n GLY 166 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 1.38 -3.82 1.61 -1.51 -1.95 -3.37 116.25 108.59 3ik4 h VAL 167 Ca 0.00 -1.57 -0.68 0.00 -1.23 0.00 0.00 66.70 63.22 3ik4 h VAL 167 Cb 0.00 2.09 -0.35 0.00 -2.13 0.00 0.00 31.29 30.90 3ik4 h VAL 167 CO 0.00 0.46 -0.75 -0.62 -1.23 0.00 0.00 177.57 175.43 3ik4 s ASP 168 N -6.36 4.64 0.27 4.19 2.15 -1.26 -4.98 116.67 115.32 3ik4 s ASP 168 Ca -0.14 -1.33 0.04 0.00 0.43 0.00 0.00 52.55 51.56 3ik4 s ASP 168 Cb 0.05 -1.62 0.35 0.00 -0.30 0.00 0.00 42.92 41.40 3ik4 s ASP 168 CO 0.78 -0.22 1.64 -0.37 -0.17 0.00 0.00 175.17 176.83 3ik4 h VAL 169 N 6.62 1.33 -0.66 1.11 -1.51 -1.94 -1.52 116.25 119.68 3ik4 h VAL 169 Ca -0.20 -1.66 -0.06 0.00 -1.23 0.00 0.00 66.70 63.55 3ik4 h VAL 169 Cb 1.05 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.93 3ik4 h VAL 169 CO 0.49 0.50 0.17 0.00 -1.23 0.00 0.00 177.57 177.50 3ik4 h ALA 170 N 1.27 1.04 -0.03 5.19 0.00 -1.99 0.71 119.26 125.46 3ik4 h ALA 170 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 3ik4 h ALA 170 Cb 0.91 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ik4 h ALA 170 CO 0.07 0.63 -0.83 -0.92 0.00 0.00 0.00 179.25 178.20 3ik4 h TYR 171 N 0.99 0.46 -0.26 0.00 3.20 -1.96 -2.77 116.97 116.63 3ik4 h TYR 171 Ca 0.21 -0.23 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 3ik4 h TYR 171 Cb 0.34 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 3ik4 h TYR 171 CO 0.02 1.02 -0.45 -0.44 -1.64 0.00 0.00 178.16 176.67 3ik4 h ASP 172 N 0.20 0.85 0.32 -2.11 5.19 -1.03 -2.12 116.42 117.72 3ik4 h ASP 172 Ca -0.05 -0.53 -0.14 0.00 -0.62 0.00 0.00 57.03 55.70 3ik4 h ASP 172 Cb 1.44 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 3ik4 h ASP 172 CO 0.14 1.21 -0.57 -0.07 -3.12 0.00 0.00 179.24 176.83 3ik4 h LEU 173 N 0.51 0.29 -0.78 1.55 3.38 -0.95 -1.54 115.31 117.76 3ik4 h LEU 173 Ca 0.02 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3ik4 h LEU 173 Cb 1.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3ik4 h LEU 173 CO 0.10 0.79 -0.19 0.00 0.09 0.00 0.00 178.44 179.24 3ik4 h ALA 174 N 1.21 0.96 -0.23 1.53 0.00 -1.50 -1.68 119.26 119.54 3ik4 h ALA 174 Ca -0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 3ik4 h ALA 174 Cb 1.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3ik4 h ALA 174 CO 0.09 0.61 -0.53 0.00 0.00 0.00 0.00 179.25 179.41 3ik4 h ARG 175 N 0.64 0.69 -0.30 0.00 3.08 -1.17 -2.59 114.38 114.73 3ik4 h ARG 175 Ca 0.10 -0.43 -0.15 0.00 0.07 0.00 0.00 59.98 59.57 3ik4 h ARG 175 Cb 0.67 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3ik4 h ARG 175 CO 0.05 1.05 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.51 3ik4 h LEU 176 N 0.53 0.78 0.06 3.04 3.38 -1.25 -2.65 115.31 119.20 3ik4 h LEU 176 Ca 0.01 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3ik4 h LEU 176 Cb 1.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3ik4 h LEU 176 CO 0.11 1.09 -0.09 0.03 0.09 0.00 0.00 178.44 179.67 3ik4 h ARG 177 N 0.59 -0.18 -0.88 1.13 3.08 -1.31 -1.65 114.38 115.16 3ik4 h ARG 177 Ca 0.05 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3ik4 h ARG 177 Cb 0.96 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 3ik4 h ARG 177 CO 0.09 -0.12 0.58 0.00 -1.07 0.00 0.00 179.97 179.45 3ik4 h ALA 178 N 0.74 1.13 -0.13 0.04 0.00 -1.44 0.44 119.26 120.03 3ik4 h ALA 178 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ik4 h ALA 178 Cb 0.20 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ik4 h ALA 178 CO -0.05 0.50 -0.02 0.82 0.00 0.00 0.00 179.25 180.50 3ik4 h ILE 179 N 1.18 1.27 -0.05 0.00 2.04 -1.44 -1.08 117.51 119.42 3ik4 h ILE 179 Ca 0.33 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 3ik4 h ILE 179 Cb -0.10 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3ik4 h ILE 179 CO -0.08 0.26 -0.32 -0.74 0.00 0.00 0.00 178.15 177.27 3ik4 h HIS 180 N -0.04 0.11 -0.24 1.37 2.76 -0.98 0.62 115.15 118.75 3ik4 h HIS 180 Ca 0.04 -0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 3ik4 h HIS 180 Cb 0.41 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 3ik4 h HIS 180 CO 0.04 0.42 -0.54 0.37 -1.30 0.00 0.00 177.93 176.92 3ik4 h GLN 181 N 0.09 0.71 0.00 5.26 4.15 -0.06 -2.32 115.11 122.94 3ik4 h GLN 181 Ca 0.01 -0.45 -0.04 0.00 0.77 0.00 0.00 58.65 58.95 3ik4 h GLN 181 Cb 0.62 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 3ik4 h GLN 181 CO 0.05 1.07 -0.17 0.00 -1.93 0.00 0.00 178.83 177.84 3ik4 h ALA 182 N 0.84 0.96 -2.33 3.38 0.00 -0.87 -3.39 119.26 117.86 3ik4 h ALA 182 Ca 0.01 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 3ik4 h ALA 182 Cb 1.12 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.52 3ik4 h ALA 182 CO 0.11 0.22 -0.85 0.00 0.00 0.00 0.00 179.25 178.73 3ik4 s ALA 183 N -3.46 0.72 0.36 0.00 0.00 0.18 -4.51 121.76 115.05 3ik4 s ALA 183 Ca 0.02 -1.85 0.05 0.00 0.00 0.00 0.00 51.96 50.19 3ik4 s ALA 183 Cb 0.08 -1.72 0.70 0.00 0.00 0.00 0.00 23.12 22.18 3ik4 s ALA 183 CO 0.64 -2.08 1.95 -1.00 0.00 0.00 0.00 175.76 175.27 3ik4 h PRO 184 N 6.45 0.55 -0.64 0.00 0.13 -1.62 -3.20 132.00 133.66 3ik4 h PRO 184 Ca 0.13 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3ik4 h PRO 184 Cb 0.97 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ik4 h PRO 184 CO 0.28 0.48 0.00 0.25 -0.23 0.00 0.00 178.00 178.78 3ik4 n THR 185 N -4.36 1.73 -3.55 1.56 -2.24 -1.26 -4.91 114.28 101.25 3ik4 n THR 185 Ca 0.02 -1.05 -0.38 0.00 -2.27 0.00 0.00 64.05 60.37 3ik4 n THR 185 Cb 0.17 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 3ik4 n THR 185 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ik4 s ALA 186 N -1.94 3.53 0.02 6.98 0.00 -1.21 -4.93 121.76 124.21 3ik4 s ALA 186 Ca 0.45 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 3ik4 s ALA 186 Cb 0.30 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.81 3ik4 s ALA 186 CO 0.20 -0.60 1.65 -2.14 0.00 0.00 0.00 175.76 174.86 3ik4 s PRO 187 N 1.82 4.20 -0.16 0.00 0.02 -1.26 -4.79 135.00 134.83 3ik4 s PRO 187 Ca 0.08 2.27 -0.07 0.00 0.02 0.00 0.00 61.00 63.30 3ik4 s PRO 187 Cb -0.16 -3.75 -0.04 0.00 0.02 0.00 0.00 34.50 30.57 3ik4 s PRO 187 CO 0.11 -0.76 0.10 -0.51 -0.33 0.00 0.00 177.00 175.60 3ik4 s LEU 188 N 3.14 4.05 -0.33 -5.54 1.43 -0.63 -1.88 118.68 118.92 3ik4 s LEU 188 Ca 0.74 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 3ik4 s LEU 188 Cb -0.37 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 43.89 3ik4 s LEU 188 CO 0.31 0.26 0.07 -0.63 0.23 0.00 0.00 176.35 176.60 3ik4 s ILE 189 N -0.14 3.37 -0.44 -0.59 1.01 -0.20 -0.67 121.20 123.54 3ik4 s ILE 189 Ca 0.09 -1.37 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 3ik4 s ILE 189 Cb -0.12 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.41 3ik4 s ILE 189 CO 0.01 -0.22 0.48 -0.69 0.00 0.00 0.00 174.94 174.52 3ik4 s VAL 190 N 1.30 5.04 -0.61 2.92 1.01 -0.21 -1.11 120.40 128.74 3ik4 s VAL 190 Ca -0.02 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 3ik4 s VAL 190 Cb -0.20 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.15 3ik4 s VAL 190 CO 0.00 -0.51 0.90 -0.62 0.00 0.00 0.00 175.10 174.87 3ik4 s ASP 191 N 2.01 6.21 0.44 3.32 2.15 0.27 -1.27 116.67 129.81 3ik4 s ASP 191 Ca 0.13 -0.91 0.25 0.00 0.43 0.00 0.00 52.55 52.45 3ik4 s ASP 191 Cb -0.18 -2.40 0.71 0.00 -0.30 0.00 0.00 42.92 40.76 3ik4 s ASP 191 CO 0.13 -1.31 1.74 1.23 -0.17 0.00 0.00 175.17 176.79 3ik4 h GLY 192 N 10.95 0.00 -6.62 2.66 0.00 -1.55 -2.69 103.07 105.82 3ik4 h GLY 192 Ca -0.28 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.52 3ik4 h GLY 192 CO 1.13 0.00 -0.97 -2.01 0.00 0.00 0.00 176.54 174.69 3ik4 n ASN 193 N -3.20 -3.74 -1.77 0.19 5.15 -0.79 -2.76 115.26 108.34 3ik4 n ASN 193 Ca 0.02 -1.16 -0.19 0.00 -0.60 0.00 0.00 54.58 52.65 3ik4 n ASN 193 Cb 0.48 -2.49 -0.06 0.00 -0.53 0.00 0.00 39.78 37.18 3ik4 n ASN 193 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ik4 n GLY 195 N -0.51 -1.26 3.90 0.00 0.00 -1.10 -4.15 105.19 102.07 3ik4 n GLY 195 Ca -0.20 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3ik4 n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ik4 s TYR 196 N -3.31 3.52 0.15 1.61 2.02 -0.64 -4.00 117.35 116.69 3ik4 s TYR 196 Ca -0.04 0.87 0.02 0.00 -0.37 0.00 0.00 57.07 57.55 3ik4 s TYR 196 Cb 0.11 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 3ik4 s TYR 196 CO 0.83 -0.17 0.14 -0.40 -1.57 0.00 0.00 175.55 174.39 3ik4 n ASP 197 N -1.80 1.16 0.02 2.29 3.85 -1.26 -4.46 116.55 116.36 3ik4 n ASP 197 Ca 0.01 -1.48 -0.11 0.00 -0.71 0.00 0.00 54.79 52.50 3ik4 n ASP 197 Cb 0.55 -0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 40.21 3ik4 n ASP 197 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3ik4 h VAL 198 N 0.37 0.98 -0.21 2.12 2.07 -1.96 -1.89 116.25 117.72 3ik4 h VAL 198 Ca -0.09 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 3ik4 h VAL 198 Cb 0.34 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3ik4 h VAL 198 CO 0.13 0.00 -0.48 1.05 0.02 0.00 0.00 177.57 178.30 3ik4 h GLU 199 N 0.02 0.55 -0.17 1.57 4.11 -1.99 -2.60 114.58 116.08 3ik4 h GLU 199 Ca 0.02 -0.31 -0.17 0.00 0.07 0.00 0.00 59.36 58.96 3ik4 h GLU 199 Cb 0.02 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3ik4 h GLU 199 CO -0.03 0.91 -0.61 0.00 0.07 0.00 0.00 179.01 179.36 3ik4 h ARG 200 N 0.44 0.58 -0.36 1.06 3.08 -1.94 -1.84 114.38 115.39 3ik4 h ARG 200 Ca 0.02 -0.40 -0.13 0.00 0.07 0.00 0.00 59.98 59.54 3ik4 h ARG 200 Cb 1.00 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3ik4 h ARG 200 CO 0.09 1.01 -0.30 0.00 -1.07 0.00 0.00 179.97 179.70 3ik4 h ALA 201 N 0.89 0.78 -0.44 0.04 0.00 -1.34 -1.51 119.26 117.67 3ik4 h ALA 201 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 3ik4 h ALA 201 Cb 1.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ik4 h ALA 201 CO 0.12 0.65 -0.12 -0.07 0.00 0.00 0.00 179.25 179.83 3ik4 h LEU 202 N 0.67 0.87 -1.06 0.00 3.38 -1.44 -1.86 115.31 115.87 3ik4 h LEU 202 Ca 0.08 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3ik4 h LEU 202 Cb 0.84 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ik4 h LEU 202 CO 0.07 1.04 -0.14 0.00 0.09 0.00 0.00 178.44 179.50 3ik4 h ALA 203 N 0.86 1.21 -0.31 1.53 0.00 -1.28 -0.85 119.26 120.43 3ik4 h ALA 203 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ik4 h ALA 203 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ik4 h ALA 203 CO 0.05 0.51 0.11 0.35 0.00 0.00 0.00 179.25 180.26 3ik4 h PHE 204 N 0.47 0.49 -0.07 0.00 3.04 -1.20 -3.27 116.94 116.39 3ik4 h PHE 204 Ca 0.08 -0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.84 3ik4 h PHE 204 Cb 0.52 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 3ik4 h PHE 204 CO 0.02 0.49 -0.62 0.00 -2.02 0.00 0.00 178.31 176.18 3ik4 h ALA 206 N 1.15 0.88 0.00 0.00 0.00 -1.24 -2.49 119.26 117.56 3ik4 h ALA 206 Ca -0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3ik4 h ALA 206 Cb 1.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3ik4 h ALA 206 CO 0.10 0.67 -0.70 0.00 0.00 0.00 0.00 179.25 179.32 3ik4 h ALA 207 N 1.04 0.80 -0.39 0.00 0.00 -1.61 -2.50 119.26 116.60 3ik4 h ALA 207 Ca 0.20 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3ik4 h ALA 207 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ik4 h ALA 207 CO 0.02 0.87 -0.23 0.00 0.00 0.00 0.00 179.25 179.91 3ik4 h LYS 209 N 0.69 0.73 -0.33 0.00 3.64 -1.47 -0.16 116.57 119.67 3ik4 h LYS 209 Ca 0.09 -0.69 -0.10 0.00 -1.27 0.00 0.00 60.65 58.68 3ik4 h LYS 209 Cb 0.75 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3ik4 h LYS 209 CO 0.06 1.28 -0.20 0.00 -2.27 0.00 0.00 179.45 178.32 3ik4 h ALA 210 N 0.50 0.47 -0.31 5.00 0.00 -1.39 -3.00 119.26 120.53 3ik4 h ALA 210 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ik4 h ALA 210 Cb 1.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ik4 h ALA 210 CO 0.18 0.41 0.00 0.39 0.00 0.00 0.00 179.25 180.24 3ik4 n GLU 211 N -4.31 2.09 -3.77 0.00 1.02 -0.34 -4.92 120.64 110.40 3ik4 n GLU 211 Ca -0.03 -1.28 -0.29 0.00 -0.02 0.00 0.00 57.16 55.54 3ik4 n GLU 211 Cb 0.42 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.42 -3.67 -4.67 1.62 3.41 -1.13 -4.96 113.62 104.65 3ik4 n SER 212 Ca 0.12 -0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 57.62 3ik4 n SER 212 Cb 0.41 -3.01 -0.02 0.00 -0.26 0.00 0.00 64.21 61.32 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 -3.10 4.19 -1.29 -1.33 1.01 -0.08 -4.94 121.20 115.65 3ik4 s ILE 213 Ca 0.57 1.46 -0.07 0.00 0.00 0.00 0.00 60.65 62.61 3ik4 s ILE 213 Cb -0.31 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3ik4 s ILE 213 CO 0.70 -0.10 2.74 -0.81 0.00 0.00 0.00 174.94 177.48 3ik4 n PRO 214 N 6.30 3.90 -1.92 2.79 -0.04 -1.26 -4.64 135.00 140.12 3ik4 n PRO 214 Ca 0.14 -2.69 -0.43 0.00 -0.04 0.00 0.00 63.50 60.48 3ik4 n PRO 214 Cb 0.45 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 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 0.32 3.64 0.10 0.54 1.75 -1.26 -1.61 119.30 122.78 3ik4 s MET 215 Ca 0.62 1.85 0.23 0.00 -1.25 0.00 0.00 55.69 57.14 3ik4 s MET 215 Cb 0.21 -4.15 0.09 0.00 2.84 0.00 0.00 34.83 33.82 3ik4 s MET 215 CO -0.08 -1.49 1.08 1.55 -0.65 0.00 0.00 175.02 175.42 3ik4 n VAL 216 N 6.71 0.32 -3.65 10.11 3.14 0.16 -4.89 118.33 130.22 3ik4 n VAL 216 Ca 0.22 -0.34 -0.12 0.00 -2.96 0.00 0.00 64.34 61.13 3ik4 n VAL 216 Cb 0.45 -0.03 -0.08 0.00 -1.06 0.00 0.00 33.84 33.12 3ik4 n VAL 216 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3ik4 s LEU 217 N -4.41 -0.57 -0.52 6.55 2.96 -1.22 -4.35 118.68 117.12 3ik4 s LEU 217 Ca 0.03 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 3ik4 s LEU 217 Cb 0.13 2.22 0.14 0.00 0.50 0.00 0.00 46.19 49.17 3ik4 s LEU 217 CO 0.78 -0.23 0.30 0.12 -1.32 0.00 0.00 176.35 176.00 3ik4 s PHE 218 N 0.72 3.41 -0.11 5.38 5.36 -0.47 -1.05 117.98 131.22 3ik4 s PHE 218 Ca -0.03 -2.85 -0.27 0.00 -0.96 0.00 0.00 56.93 52.82 3ik4 s PHE 218 Cb -0.05 -3.05 -0.02 0.00 -0.34 0.00 0.00 43.02 39.56 3ik4 s PHE 218 CO -0.05 -0.84 0.87 -2.00 -1.46 0.00 0.00 175.22 171.74 3ik4 s GLU 219 N 0.18 4.39 -0.69 10.12 2.12 -0.39 -2.03 118.70 132.39 3ik4 s GLU 219 Ca 0.15 1.13 -0.07 0.00 0.36 0.00 0.00 54.97 56.54 3ik4 s GLU 219 Cb -0.22 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.65 3ik4 s GLU 219 CO -0.03 -0.22 0.46 0.94 -0.54 0.00 0.00 175.26 175.87 3ik4 n GLN 220 N 4.75 -0.95 0.22 4.30 -0.06 -0.49 -1.99 117.38 123.15 3ik4 n GLN 220 Ca 0.05 0.38 0.14 0.00 -2.00 0.00 0.00 57.00 55.57 3ik4 n GLN 220 Cb 0.49 -1.62 0.43 0.00 -4.06 0.00 0.00 30.24 25.49 3ik4 n GLN 220 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3ik4 h PRO 221 N -0.28 0.00 -6.46 3.69 0.11 -1.86 -0.69 132.00 126.51 3ik4 h PRO 221 Ca -0.50 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 64.99 3ik4 h PRO 221 Cb 1.04 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.97 3ik4 h PRO 221 CO 0.30 0.00 -0.81 -0.51 -0.21 0.00 0.00 178.00 176.77 3ik4 s LEU 222 N -5.81 2.45 0.65 2.35 1.02 -1.26 -1.62 118.68 116.45 3ik4 s LEU 222 Ca 0.05 -0.88 -0.18 0.00 0.02 0.00 0.00 54.13 53.14 3ik4 s LEU 222 Cb 0.08 -1.10 -0.01 0.00 0.02 0.00 0.00 46.19 45.17 3ik4 s LEU 222 CO 0.58 0.09 1.21 -2.65 0.02 0.00 0.00 176.35 175.60 3ik4 n PRO 223 N 0.18 1.02 -0.29 1.29 -0.02 -1.26 -4.26 135.00 131.66 3ik4 n PRO 223 Ca -0.12 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 3ik4 n PRO 223 Cb 0.57 -2.45 0.18 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.44 0.69 0.00 -0.52 2.43 -1.97 -2.49 114.38 112.96 3ik4 h ARG 224 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3ik4 h ARG 224 Cb 1.34 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ik4 h ARG 224 CO 0.52 0.45 0.00 1.05 -1.51 0.00 0.00 179.97 180.48 3ik4 h GLU 225 N 0.71 0.00 -3.84 0.20 9.09 -1.96 -3.27 114.58 115.50 3ik4 h GLU 225 Ca 0.41 0.00 -0.77 0.00 0.05 0.00 0.00 59.36 59.05 3ik4 h GLU 225 Cb 0.46 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 27.33 3ik4 h GLU 225 CO -0.29 0.00 1.08 -3.47 0.05 0.00 0.00 179.01 176.38 3ik4 n ASP 226 N -2.73 5.51 -0.05 3.06 4.64 -0.94 -4.81 116.55 121.23 3ik4 n ASP 226 Ca 0.00 -3.09 -0.14 0.00 -1.38 0.00 0.00 54.79 50.18 3ik4 n ASP 226 Cb 0.22 -1.44 -0.02 0.00 -1.04 0.00 0.00 41.12 38.84 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 6.45 1.00 -0.18 -0.67 4.06 -1.80 -2.87 115.95 121.95 3ik4 h TRP 227 Ca 0.27 -0.37 -0.11 0.00 2.06 0.00 0.00 58.89 60.74 3ik4 h TRP 227 Cb 0.79 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 3ik4 h TRP 227 CO 1.00 1.18 -0.36 0.00 -3.56 0.00 0.00 178.44 176.69 3ik4 h ALA 228 N 0.74 1.05 -0.25 1.49 0.00 -1.93 -2.85 119.26 117.51 3ik4 h ALA 228 Ca 0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3ik4 h ALA 228 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ik4 h ALA 228 CO 0.12 0.59 -0.11 0.78 0.00 0.00 0.00 179.25 180.63 3ik4 h GLY 229 N 1.12 0.57 1.19 0.00 0.00 -1.95 -2.70 103.07 101.30 3ik4 h GLY 229 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.87 3ik4 h GLY 229 CO 0.06 0.45 0.54 -0.33 0.00 0.00 0.00 176.54 177.27 3ik4 h MET 230 N 0.25 1.09 -0.60 4.80 2.07 -1.50 -2.39 114.93 118.66 3ik4 h MET 230 Ca 0.06 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.58 3ik4 h MET 230 Cb 0.60 -0.24 -0.03 0.00 -1.87 0.00 0.00 31.60 30.07 3ik4 h MET 230 CO 0.03 0.72 0.20 0.00 1.07 0.00 0.00 176.91 178.94 3ik4 h ALA 231 N 1.48 0.78 -0.34 6.32 0.00 -1.47 -1.87 119.26 124.16 3ik4 h ALA 231 Ca 0.30 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ik4 h ALA 231 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3ik4 h ALA 231 CO -0.06 0.43 -0.26 0.37 0.00 0.00 0.00 179.25 179.72 3ik4 h GLN 232 N 0.84 0.69 -0.25 0.00 4.15 -1.23 -2.85 115.11 116.46 3ik4 h GLN 232 Ca 0.19 -0.29 -0.15 0.00 0.77 0.00 0.00 58.65 59.17 3ik4 h GLN 232 Cb 0.26 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3ik4 h GLN 232 CO -0.01 0.88 -0.43 0.28 -1.93 0.00 0.00 178.83 177.63 3ik4 h VAL 233 N 0.60 1.30 -0.61 2.39 2.07 -1.38 -3.00 116.25 117.62 3ik4 h VAL 233 Ca 0.08 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 65.99 3ik4 h VAL 233 Cb 0.76 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3ik4 h VAL 233 CO 0.06 0.52 0.38 0.74 0.02 0.00 0.00 177.57 179.29 3ik4 h THR 234 N 0.47 1.09 -0.01 2.57 2.02 -1.28 -2.29 112.91 115.48 3ik4 h THR 234 Ca 0.02 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.78 3ik4 h THR 234 Cb 1.03 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3ik4 h THR 234 CO 0.10 0.14 -0.74 0.00 0.37 0.00 0.00 175.52 175.39 3ik4 h ALA 235 N 1.26 0.76 0.00 6.16 0.00 -1.56 -3.38 119.26 122.50 3ik4 h ALA 235 Ca 0.24 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 3ik4 h ALA 235 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ik4 h ALA 235 CO -0.09 0.89 -1.93 1.04 0.00 0.00 0.00 179.25 179.16 3ik4 n GLN 236 N -3.70 0.93 0.20 0.00 6.02 -1.14 -4.61 117.38 115.09 3ik4 n GLN 236 Ca -0.02 -0.09 0.04 0.00 -0.01 0.00 0.00 57.00 56.92 3ik4 n GLN 236 Cb 0.71 -1.41 0.40 0.00 1.02 0.00 0.00 30.24 30.97 3ik4 n GLN 236 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3ik4 h SER 237 N 0.00 0.00 -0.07 1.08 4.64 -1.59 -3.46 113.55 114.14 3ik4 h SER 237 Ca -0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 3ik4 h SER 237 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3ik4 h SER 237 CO 0.01 0.33 -0.03 0.61 -0.87 0.00 0.00 176.83 176.88 3ik4 n GLY 238 N -0.54 0.51 3.33 -0.77 0.00 -1.26 -4.90 105.19 101.56 3ik4 n GLY 238 Ca -0.02 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.94 2.15 0.20 1.61 0.40 -1.26 -5.11 117.98 114.02 3ik4 s PHE 239 Ca 0.00 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 55.63 3ik4 s PHE 239 Cb 0.00 -1.24 -0.10 0.00 0.51 0.00 0.00 43.02 42.20 3ik4 s PHE 239 CO 0.00 0.19 1.50 0.00 0.70 0.00 0.00 175.22 177.61 3ik4 s ALA 240 N -0.92 3.70 -0.15 5.36 0.00 -1.26 -4.91 121.76 123.58 3ik4 s ALA 240 Ca 0.11 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3ik4 s ALA 240 Cb -0.10 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 3ik4 s ALA 240 CO 0.03 -0.75 -0.15 0.08 0.00 0.00 0.00 175.76 174.97 3ik4 s VAL 241 N 0.61 2.66 0.01 0.00 1.01 -1.26 -1.36 120.40 122.06 3ik4 s VAL 241 Ca 0.65 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 3ik4 s VAL 241 Cb -0.42 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 3ik4 s VAL 241 CO 0.37 0.52 0.39 0.00 0.00 0.00 0.00 175.10 176.38 3ik4 s ALA 242 N 0.79 3.71 -0.14 5.51 0.00 -0.86 -1.28 121.76 129.49 3ik4 s ALA 242 Ca -0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 3ik4 s ALA 242 Cb -0.15 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 3ik4 s ALA 242 CO 0.00 0.50 0.23 0.00 0.00 0.00 0.00 175.76 176.50 3ik4 s ALA 243 N -1.13 3.69 0.00 0.00 0.00 0.17 -1.39 121.76 123.10 3ik4 s ALA 243 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3ik4 s ALA 243 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.72 3ik4 s ALA 243 CO 0.14 0.27 0.00 -3.47 0.00 0.00 0.00 175.76 172.70 3ik4 n ASP 244 N 3.00 0.00 0.24 0.00 2.03 -1.26 -0.23 116.55 120.33 3ik4 n ASP 244 Ca -0.15 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.26 3ik4 n ASP 244 Cb 0.53 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.52 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 0.00 0.00 -0.67 3.07 -1.94 -1.26 114.58 113.79 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 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ik4 h GLU 245 CO 0.00 0.19 0.00 0.77 -1.40 0.00 0.00 179.01 178.57 3ik4 h SER 246 N 0.00 0.00 -3.16 1.42 0.02 -1.92 -3.38 113.55 106.54 3ik4 h SER 246 Ca -0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3ik4 h SER 246 Cb 0.47 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.62 3ik4 h SER 246 CO 0.02 0.00 -0.35 0.00 -1.14 0.00 0.00 176.83 175.37 3ik4 n ALA 247 N -2.03 3.63 -0.99 3.77 0.00 -0.47 -4.68 120.51 119.74 3ik4 n ALA 247 Ca 0.03 -4.57 0.05 0.00 0.00 0.00 0.00 53.44 48.94 3ik4 n ALA 247 Cb 0.41 -1.33 0.07 0.00 0.00 0.00 0.00 19.45 18.59 3ik4 n ALA 247 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3ik4 n ARG 248 N 2.06 1.33 -4.09 0.00 1.85 -1.26 -4.80 116.66 111.76 3ik4 n ARG 248 Ca 0.21 -1.87 -0.11 0.00 -1.00 0.00 0.00 57.85 55.08 3ik4 n ARG 248 Cb 0.36 -1.12 -0.07 0.00 -1.05 0.00 0.00 32.46 30.58 3ik4 n ARG 248 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3ik4 s SER 249 N -1.87 0.16 0.25 2.89 1.04 -1.26 -4.54 113.70 110.37 3ik4 s SER 249 Ca 0.16 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3ik4 s SER 249 Cb 0.14 0.52 0.31 0.00 0.10 0.00 0.00 66.02 67.09 3ik4 s SER 249 CO 0.02 -1.06 1.66 0.00 0.98 0.00 0.00 173.24 174.84 3ik4 h ALA 250 N 2.36 0.97 -0.87 5.32 0.00 -1.94 -2.76 119.26 122.34 3ik4 h ALA 250 Ca -0.30 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.26 3ik4 h ALA 250 Cb 1.25 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3ik4 h ALA 250 CO 0.42 0.61 0.55 1.25 0.00 0.00 0.00 179.25 182.08 3ik4 h HIS 251 N 0.45 1.03 -0.18 0.00 -0.00 -1.97 -2.26 115.15 112.23 3ik4 h HIS 251 Ca 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3ik4 h HIS 251 Cb 0.78 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 3ik4 h HIS 251 CO 0.03 0.57 0.10 -0.44 -0.00 0.00 0.00 177.93 178.19 3ik4 h ASP 252 N 1.06 0.22 0.07 3.26 3.45 -1.82 -2.64 116.42 120.02 3ik4 h ASP 252 Ca 0.36 -0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.69 3ik4 h ASP 252 Cb 0.06 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3ik4 h ASP 252 CO -0.13 0.24 -0.15 0.58 -1.57 0.00 0.00 179.24 178.20 3ik4 h VAL 253 N 0.19 1.17 -0.18 -1.35 2.07 -1.27 -0.41 116.25 116.46 3ik4 h VAL 253 Ca 0.06 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3ik4 h VAL 253 Cb 0.06 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ik4 h VAL 253 CO -0.01 0.23 0.09 -0.07 0.02 0.00 0.00 177.57 177.83 3ik4 h LEU 254 N 0.16 0.23 -0.62 2.57 3.38 -1.32 -0.66 115.31 119.06 3ik4 h LEU 254 Ca 0.03 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3ik4 h LEU 254 Cb 0.37 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3ik4 h LEU 254 CO 0.02 0.28 0.41 -0.09 0.09 0.00 0.00 178.44 179.14 3ik4 h ARG 255 N 0.17 0.80 -0.52 1.13 2.43 -1.02 -0.44 114.38 116.94 3ik4 h ARG 255 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3ik4 h ARG 255 Cb 0.10 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3ik4 h ARG 255 CO -0.01 0.53 0.33 0.82 -1.51 0.00 0.00 179.97 180.13 3ik4 h ILE 256 N 0.82 1.15 -0.68 1.20 2.04 -0.97 0.43 117.51 121.50 3ik4 h ILE 256 Ca 0.23 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 3ik4 h ILE 256 Cb -0.07 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3ik4 h ILE 256 CO -0.06 0.15 0.18 0.00 0.00 0.00 0.00 178.15 178.41 3ik4 h ALA 257 N 1.17 1.03 0.00 1.87 0.00 -0.86 0.13 119.26 122.60 3ik4 h ALA 257 Ca 0.19 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3ik4 h ALA 257 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ik4 h ALA 257 CO -0.04 0.64 -0.87 0.07 0.00 0.00 0.00 179.25 179.05 3ik4 h ARG 258 N 1.02 0.03 0.00 0.00 0.11 -0.66 -3.35 114.38 111.54 3ik4 h ARG 258 Ca 0.22 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.26 3ik4 h ARG 258 Cb 0.33 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3ik4 h ARG 258 CO -0.00 0.88 -1.64 0.39 0.10 0.00 0.00 179.97 179.70 3ik4 n GLU 259 N -3.54 0.67 -2.26 0.08 1.02 0.11 -5.00 120.64 111.72 3ik4 n GLU 259 Ca -0.01 -0.13 -0.05 0.00 -0.02 0.00 0.00 57.16 56.94 3ik4 n GLU 259 Cb 0.82 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 1.47 0.26 0.29 0.62 0.00 0.01 -4.93 105.19 102.92 3ik4 n GLY 260 Ca -0.02 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.16 1.08 -3.26 2.61 2.02 -1.78 -3.40 112.91 110.03 3ik4 h THR 261 Ca -0.13 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 66.92 3ik4 h THR 261 Cb 1.09 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 3ik4 h THR 261 CO 0.14 0.08 0.09 0.00 0.37 0.00 0.00 175.52 176.20 3ik4 s ALA 262 N -5.36 -0.83 -0.33 6.16 0.00 -1.26 -3.92 121.76 116.22 3ik4 s ALA 262 Ca -0.07 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.40 3ik4 s ALA 262 Cb 0.17 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 3ik4 s ALA 262 CO 0.71 -0.97 0.30 -1.13 0.00 0.00 0.00 175.76 174.68 3ik4 n SER 263 N -0.44 0.46 -4.03 0.00 3.41 -0.41 -4.85 113.62 107.77 3ik4 n SER 263 Ca -0.03 -0.73 -0.18 0.00 -0.26 0.00 0.00 58.87 57.66 3ik4 n SER 263 Cb 0.60 0.83 -0.14 0.00 -0.26 0.00 0.00 64.21 65.23 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 -1.32 0.73 -0.20 -3.33 1.01 -0.53 0.24 120.40 117.00 3ik4 s VAL 264 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3ik4 s VAL 264 Cb 0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3ik4 s VAL 264 CO 0.19 0.14 -0.04 -0.63 0.00 0.00 0.00 175.10 174.76 3ik4 s ILE 265 N -0.34 3.54 -0.65 2.22 -1.09 0.11 0.41 121.20 125.40 3ik4 s ILE 265 Ca 0.02 -0.45 -0.24 0.00 -2.23 0.00 0.00 60.65 57.75 3ik4 s ILE 265 Cb -0.04 -2.59 0.05 0.00 -1.58 0.00 0.00 42.46 38.30 3ik4 s ILE 265 CO -0.00 0.44 1.04 0.21 -1.23 0.00 0.00 174.94 175.40 3ik4 s ASN 266 N 1.09 6.22 -0.38 3.58 2.47 0.68 -0.22 114.94 128.38 3ik4 s ASN 266 Ca 0.01 -0.68 -0.29 0.00 0.42 0.00 0.00 52.86 52.33 3ik4 s ASN 266 Cb -0.15 -2.46 0.02 0.00 -1.45 0.00 0.00 41.25 37.21 3ik4 s ASN 266 CO 0.00 -1.49 1.16 -0.63 -3.72 0.00 0.00 177.10 172.43 3ik4 s ILE 267 N 4.46 4.29 -0.27 -5.21 1.09 0.16 -4.72 121.20 121.00 3ik4 s ILE 267 Ca 0.28 1.41 -0.04 0.00 -1.10 0.00 0.00 60.65 61.20 3ik4 s ILE 267 Cb -0.13 -4.42 0.02 0.00 -1.06 0.00 0.00 42.46 36.86 3ik4 s ILE 267 CO 0.14 -0.69 0.01 -0.54 -0.10 0.00 0.00 174.94 173.76 3ik4 s LYS 268 N 4.13 2.97 0.54 2.79 1.02 -1.26 -0.92 119.74 129.01 3ik4 s LYS 268 Ca 0.49 -0.92 0.24 0.00 0.02 0.00 0.00 55.97 55.81 3ik4 s LYS 268 Cb -0.11 -3.19 1.49 0.00 -0.52 0.00 0.00 37.83 35.50 3ik4 s LYS 268 CO 0.24 -0.42 2.15 -0.07 -0.92 0.00 0.00 175.35 176.33 3ik4 h LEU 269 N 8.13 0.00 -1.57 3.17 3.38 -1.85 -2.21 115.31 124.37 3ik4 h LEU 269 Ca -0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3ik4 h LEU 269 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3ik4 h LEU 269 CO 0.59 0.05 -0.03 -0.03 0.09 0.00 0.00 178.44 179.12 3ik4 h MET 270 N 0.00 0.00 0.00 1.13 4.05 -1.89 -1.22 114.93 116.99 3ik4 h MET 270 Ca -0.00 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.22 3ik4 h MET 270 Cb 0.12 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 3ik4 h MET 270 CO 0.01 0.03 -1.40 0.87 0.23 0.00 0.00 176.91 176.64 3ik4 h LYS 271 N 0.00 0.00 0.00 0.39 1.79 -1.68 -3.25 116.57 113.83 3ik4 h LYS 271 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ik4 h LYS 271 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3ik4 h LYS 271 CO 0.00 0.41 0.00 0.00 -1.08 0.00 0.00 179.45 178.78 3ik4 n ALA 272 N -2.43 1.06 0.00 3.86 0.00 -1.23 -4.83 120.51 116.94 3ik4 n ALA 272 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ik4 n ALA 272 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.35 3ik4 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 273 N 0.42 -0.15 0.13 0.00 0.00 -0.46 -4.45 105.19 100.68 3ik4 n GLY 273 Ca 0.00 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 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 1.19 -0.31 1.61 2.07 -1.87 -3.03 116.25 115.91 3ik4 h VAL 274 Ca 0.00 -2.48 -0.12 0.00 0.82 0.00 0.00 66.70 64.92 3ik4 h VAL 274 Cb 0.00 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3ik4 h VAL 274 CO 0.00 0.73 -0.30 0.00 0.02 0.00 0.00 177.57 178.02 3ik4 h ALA 275 N 0.03 0.89 -0.38 1.67 0.00 -1.96 -1.99 119.26 117.53 3ik4 h ALA 275 Ca -0.25 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 3ik4 h ALA 275 Cb 1.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3ik4 h ALA 275 CO 0.12 0.62 -0.23 1.49 0.00 0.00 0.00 179.25 181.26 3ik4 h GLU 276 N 0.56 0.76 -0.46 0.00 4.57 -1.78 -2.97 114.58 115.25 3ik4 h GLU 276 Ca 0.07 -0.30 0.04 0.00 -1.18 0.00 0.00 59.36 57.98 3ik4 h GLU 276 Cb 0.79 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3ik4 h GLU 276 CO 0.07 0.91 0.22 0.78 -1.18 0.00 0.00 179.01 179.81 3ik4 h GLY 277 N 0.97 0.64 1.52 1.92 0.00 -1.36 -1.79 103.07 104.97 3ik4 h GLY 277 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ik4 h GLY 277 CO 0.06 0.09 0.32 1.41 0.00 0.00 0.00 176.54 178.42 3ik4 h LEU 278 N 0.44 0.56 -0.27 3.11 3.38 -1.29 -0.72 115.31 120.52 3ik4 h LEU 278 Ca 0.20 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 3ik4 h LEU 278 Cb 0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ik4 h LEU 278 CO -0.16 0.41 -0.32 0.11 0.09 0.00 0.00 178.44 178.57 3ik4 h LYS 279 N 0.66 0.69 -0.95 1.13 1.57 -1.32 -2.54 116.57 115.80 3ik4 h LYS 279 Ca 0.18 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3ik4 h LYS 279 Cb -0.07 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 3ik4 h LYS 279 CO -0.04 1.00 0.63 0.52 -0.57 0.00 0.00 179.45 180.99 3ik4 h MET 280 N 0.42 1.20 -0.14 3.15 2.86 -0.73 -1.56 114.93 120.12 3ik4 h MET 280 Ca 0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3ik4 h MET 280 Cb 0.90 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 3ik4 h MET 280 CO 0.08 0.79 0.03 0.82 1.06 0.00 0.00 176.91 179.69 3ik4 h ILE 281 N 1.23 1.21 -0.64 -1.22 2.04 -1.13 -1.90 117.51 117.10 3ik4 h ILE 281 Ca 0.37 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3ik4 h ILE 281 Cb -0.04 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3ik4 h ILE 281 CO -0.11 0.19 0.26 0.00 0.00 0.00 0.00 178.15 178.49 3ik4 h ALA 282 N 0.82 1.25 -0.23 1.87 0.00 -1.25 -1.36 119.26 120.38 3ik4 h ALA 282 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ik4 h ALA 282 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ik4 h ALA 282 CO 0.00 0.55 -0.06 0.82 0.00 0.00 0.00 179.25 180.57 3ik4 h ILE 283 N 0.92 1.29 0.14 0.00 2.04 -1.26 -2.42 117.51 118.21 3ik4 h ILE 283 Ca 0.22 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3ik4 h ILE 283 Cb 0.17 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3ik4 h ILE 283 CO -0.02 0.32 -0.18 0.00 0.00 0.00 0.00 178.15 178.27 3ik4 h ALA 284 N 0.75 -0.33 -0.25 1.87 0.00 -1.10 0.85 119.26 121.05 3ik4 h ALA 284 Ca 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ik4 h ALA 284 Cb 0.51 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ik4 h ALA 284 CO 0.02 -0.72 0.17 1.96 0.00 0.00 0.00 179.25 180.69 3ik4 h GLN 285 N -0.37 0.23 -0.16 0.00 4.20 -1.30 -0.30 115.11 117.42 3ik4 h GLN 285 Ca 0.01 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3ik4 h GLN 285 Cb 0.37 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.10 3ik4 h GLN 285 CO -0.07 0.15 -0.73 0.00 -0.67 0.00 0.00 178.83 177.51 3ik4 h ALA 286 N 1.86 0.40 -0.00 3.87 0.00 -1.11 -3.28 119.26 120.98 3ik4 h ALA 286 Ca 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ik4 h ALA 286 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ik4 h ALA 286 CO -0.02 0.70 -0.05 0.00 0.00 0.00 0.00 179.25 179.88 3ik4 n ALA 287 N -2.58 2.66 -1.72 0.00 0.00 0.26 -4.90 120.51 114.23 3ik4 n ALA 287 Ca -0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.07 3ik4 n ALA 287 Cb 0.72 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 1.21 0.48 3.87 0.00 0.00 -0.29 -5.02 105.19 105.43 3ik4 n GLY 288 Ca 0.17 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.99 4.17 0.56 0.99 1.43 -0.28 -5.02 118.68 118.54 3ik4 s LEU 289 Ca 0.00 0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 3ik4 s LEU 289 Cb 0.00 -3.69 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 3ik4 s LEU 289 CO 0.00 -0.07 1.07 -0.83 0.23 0.00 0.00 176.35 176.75 3ik4 s GLY 290 N -2.27 2.31 -0.13 -3.19 0.00 0.14 -4.42 107.32 99.76 3ik4 s GLY 290 Ca 0.47 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.75 3ik4 s GLY 290 CO 0.20 0.86 -0.21 1.08 0.00 0.00 0.00 173.10 175.03 3ik4 s LEU 291 N -4.15 2.17 -0.08 0.66 1.43 -1.26 0.04 118.68 117.48 3ik4 s LEU 291 Ca 0.66 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3ik4 s LEU 291 Cb -0.18 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 3ik4 s LEU 291 CO 0.31 0.10 -0.23 -0.32 0.23 0.00 0.00 176.35 176.44 3ik4 s MET 292 N 0.70 2.86 -0.24 1.70 -2.45 0.69 -1.16 119.30 121.40 3ik4 s MET 292 Ca -0.10 -0.86 -0.12 0.00 -1.25 0.00 0.00 55.69 53.36 3ik4 s MET 292 Cb -0.16 -2.28 -0.05 0.00 1.25 0.00 0.00 34.83 33.59 3ik4 s MET 292 CO 0.01 0.28 0.22 -1.50 1.05 0.00 0.00 175.02 175.08 3ik4 s ILE 293 N 0.10 5.31 0.00 10.11 1.10 -0.87 0.38 121.20 137.33 3ik4 s ILE 293 Ca -0.11 0.31 0.00 0.00 -0.51 0.00 0.00 60.65 60.34 3ik4 s ILE 293 Cb -0.16 -3.56 0.00 0.00 0.15 0.00 0.00 42.46 38.89 3ik4 s ILE 293 CO 0.06 0.31 0.00 0.61 -2.11 0.00 0.00 174.94 173.81 3ik4 n GLY 294 N 4.27 6.67 3.83 1.50 0.00 -0.10 -0.01 105.19 121.36 3ik4 n GLY 294 Ca -0.13 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 3ik4 n GLY 294 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ik4 s GLY 295 N -0.08 -0.03 0.00 -0.02 0.00 -1.26 -4.64 107.32 101.29 3ik4 s GLY 295 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.61 3ik4 s GLY 295 CO 0.00 1.62 0.00 1.03 0.00 0.00 0.00 173.10 175.75 3ik4 n MET 296 N -0.62 3.37 -2.73 2.90 2.81 -1.26 -4.96 117.12 116.62 3ik4 n MET 296 Ca -0.04 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 3ik4 n MET 296 Cb 0.60 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.09 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 1.98 4.34 0.12 2.03 1.01 -1.26 -4.88 120.40 123.75 3ik4 s VAL 297 Ca 0.00 -1.42 0.11 0.00 0.00 0.00 0.00 61.98 60.66 3ik4 s VAL 297 Cb 0.00 -4.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.37 3ik4 s VAL 297 CO 0.00 -1.78 -0.26 -1.61 0.00 0.00 0.00 175.10 171.45 3ik4 s GLU 298 N 3.72 1.38 0.82 2.72 2.02 -1.26 -4.89 118.70 123.21 3ik4 s GLU 298 Ca 0.42 -1.32 -0.12 0.00 0.02 0.00 0.00 54.97 53.98 3ik4 s GLU 298 Cb -0.01 -1.83 0.19 0.00 0.10 0.00 0.00 34.13 32.57 3ik4 s GLU 298 CO -0.06 0.44 1.12 -1.13 0.02 0.00 0.00 175.26 175.65 3ik4 n SER 299 N 0.96 0.28 0.20 -0.19 3.41 -1.26 -3.80 113.62 113.22 3ik4 n SER 299 Ca -0.18 -1.53 0.14 0.00 -0.26 0.00 0.00 58.87 57.04 3ik4 n SER 299 Cb 0.53 -0.84 0.71 0.00 -0.26 0.00 0.00 64.21 64.35 3ik4 n SER 299 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3ik4 h ILE 300 N -1.49 0.00 0.43 -1.33 2.10 -1.94 -2.66 117.51 112.62 3ik4 h ILE 300 Ca -0.36 -0.06 -0.02 0.00 1.08 0.00 0.00 64.86 65.49 3ik4 h ILE 300 Cb 1.05 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3ik4 h ILE 300 CO 0.28 0.00 -0.21 0.25 -1.08 0.00 0.00 178.15 177.39 3ik4 h LEU 301 N 0.00 -0.49 -1.44 2.19 5.85 -1.96 -2.33 115.31 117.13 3ik4 h LEU 301 Ca 0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3ik4 h LEU 301 Cb 0.08 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3ik4 h LEU 301 CO 0.00 -0.22 -0.26 0.00 -0.34 0.00 0.00 178.44 177.62 3ik4 h ALA 302 N -1.47 1.27 -0.13 1.25 0.00 -1.87 -2.95 119.26 115.36 3ik4 h ALA 302 Ca -0.06 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 3ik4 h ALA 302 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ik4 h ALA 302 CO 0.10 0.33 -0.75 0.52 0.00 0.00 0.00 179.25 179.44 3ik4 h MET 303 N 0.00 0.66 0.00 0.00 2.86 -1.58 -2.98 114.93 113.89 3ik4 h MET 303 Ca -0.00 -0.53 -0.08 0.00 -2.06 0.00 0.00 59.70 57.03 3ik4 h MET 303 Cb 0.57 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3ik4 h MET 303 CO 0.03 1.15 -0.37 0.77 1.06 0.00 0.00 176.91 179.56 3ik4 h SER 304 N 0.45 0.00 -0.31 1.22 0.02 -1.27 -1.40 113.55 112.27 3ik4 h SER 304 Ca -0.04 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 3ik4 h SER 304 Cb 1.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 3ik4 h SER 304 CO 0.15 0.37 -0.19 0.15 -1.14 0.00 0.00 176.83 176.16 3ik4 h PHE 305 N 0.00 0.79 -0.70 3.45 3.04 -1.53 -0.99 116.94 121.01 3ik4 h PHE 305 Ca -0.00 -0.21 -0.05 0.00 3.98 0.00 0.00 57.97 61.68 3ik4 h PHE 305 Cb 0.94 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.24 3ik4 h PHE 305 CO 0.00 0.92 0.22 0.77 -2.02 0.00 0.00 178.31 178.20 3ik4 h SER 306 N 0.44 0.99 0.36 0.41 0.02 -1.36 -1.85 113.55 112.57 3ik4 h SER 306 Ca 0.06 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 3ik4 h SER 306 Cb 0.73 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3ik4 h SER 306 CO 0.05 0.92 -0.38 0.00 -1.14 0.00 0.00 176.83 176.29 3ik4 h ALA 307 N 1.21 1.35 -0.18 3.77 0.00 -1.15 -0.16 119.26 124.10 3ik4 h ALA 307 Ca 0.23 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3ik4 h ALA 307 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ik4 h ALA 307 CO -0.01 0.49 -0.61 -0.91 0.00 0.00 0.00 179.25 178.21 3ik4 h ASN 308 N 0.03 0.68 0.04 0.00 -0.26 -0.79 -2.81 115.58 112.46 3ik4 h ASN 308 Ca -0.00 -0.39 -0.00 0.00 -0.56 0.00 0.00 56.30 55.35 3ik4 h ASN 308 Cb 0.68 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3ik4 h ASN 308 CO 0.05 1.13 -0.02 0.25 -1.06 0.00 0.00 177.43 177.78 3ik4 h LEU 309 N 0.45 -0.05 -0.35 1.61 5.85 -0.91 -1.71 115.31 120.20 3ik4 h LEU 309 Ca -0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3ik4 h LEU 309 Cb 1.18 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3ik4 h LEU 309 CO 0.12 0.51 0.22 0.00 -0.34 0.00 0.00 178.44 178.94 3ik4 h ALA 310 N 0.27 0.44 -0.17 1.25 0.00 -1.15 0.82 119.26 120.73 3ik4 h ALA 310 Ca -0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3ik4 h ALA 310 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ik4 h ALA 310 CO 0.01 -0.08 -0.44 0.00 0.00 0.00 0.00 179.25 178.74 3ik4 h ALA 311 N 1.11 0.92 -0.09 0.00 0.00 -1.61 0.25 119.26 119.84 3ik4 h ALA 311 Ca 0.13 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3ik4 h ALA 311 Cb -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ik4 h ALA 311 CO -0.03 0.64 -0.15 0.78 0.00 0.00 0.00 179.25 180.50 3ik4 h GLY 312 N 1.16 0.27 1.22 0.00 0.00 -1.06 0.20 103.07 104.86 3ik4 h GLY 312 Ca 0.03 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 46.79 3ik4 h GLY 312 CO 0.08 0.28 -0.99 -0.57 0.00 0.00 0.00 176.54 175.34 3ik4 h ASN 313 N -0.21 0.91 -4.25 0.19 -0.73 -0.79 0.36 115.58 111.06 3ik4 h ASN 313 Ca 0.01 -0.70 0.00 0.00 1.87 0.00 0.00 56.30 57.48 3ik4 h ASN 313 Cb 0.71 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 39.03 3ik4 h ASN 313 CO 0.03 1.50 0.00 0.61 -0.37 0.00 0.00 177.43 179.20 3ik4 n GLY 314 N 1.00 -2.78 2.40 1.57 0.00 0.07 -4.80 105.19 102.65 3ik4 n GLY 314 Ca -0.10 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.71 0.66 3.70 -0.02 0.00 -1.26 -4.93 105.19 102.63 3ik4 n GLY 315 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.50 -0.49 1.61 0.08 -1.26 -4.31 117.98 114.42 3ik4 s PHE 316 Ca 0.00 1.14 0.20 0.00 0.12 0.00 0.00 56.93 58.39 3ik4 s PHE 316 Cb 0.00 -2.81 -0.26 0.00 -0.57 0.00 0.00 43.02 39.37 3ik4 s PHE 316 CO 0.00 -0.02 0.65 -0.25 -0.10 0.00 0.00 175.22 175.50 3ik4 n ASP 317 N 4.29 0.65 -4.04 1.36 8.00 -0.31 -4.92 116.55 121.59 3ik4 n ASP 317 Ca -0.01 -0.50 -0.21 0.00 0.71 0.00 0.00 54.79 54.78 3ik4 n ASP 317 Cb 0.51 1.45 -0.15 0.00 -0.02 0.00 0.00 41.12 42.90 3ik4 n ASP 317 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ik4 s PHE 318 N -3.12 1.05 -0.22 1.24 0.08 -0.97 -5.04 117.98 111.01 3ik4 s PHE 318 Ca 0.00 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.82 3ik4 s PHE 318 Cb 0.14 -0.72 0.05 0.00 -0.57 0.00 0.00 43.02 41.92 3ik4 s PHE 318 CO 0.82 -0.07 -0.08 0.42 -0.10 0.00 0.00 175.22 176.21 3ik4 s ILE 319 N -0.00 1.62 -0.64 0.64 -1.09 -1.26 -2.04 121.20 118.43 3ik4 s ILE 319 Ca -0.00 -1.13 0.03 0.00 -2.23 0.00 0.00 60.65 57.31 3ik4 s ILE 319 Cb -0.07 -1.78 0.37 0.00 -1.58 0.00 0.00 42.46 39.40 3ik4 s ILE 319 CO 0.00 0.04 1.33 -0.67 -1.23 0.00 0.00 174.94 174.42 3ik4 n ASP 320 N 4.66 5.54 -3.84 3.58 4.64 0.99 -1.62 116.55 130.50 3ik4 n ASP 320 Ca -0.13 -3.73 -0.36 0.00 -1.38 0.00 0.00 54.79 49.18 3ik4 n ASP 320 Cb 0.45 -0.70 -0.04 0.00 -1.04 0.00 0.00 41.12 39.80 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 -0.37 5.06 -0.01 -2.67 4.77 -1.26 -4.11 117.00 118.42 3ik4 n LEU 321 Ca 0.41 -5.27 0.09 0.00 -0.03 0.00 0.00 56.01 51.20 3ik4 n LEU 321 Cb 0.45 -1.04 -0.13 0.00 -2.33 0.00 0.00 43.42 40.36 3ik4 n LEU 321 CO 0.39 1.78 -0.70 -0.90 -1.33 0.00 0.00 177.39 176.64 3ik4 n ASP 322 N 1.40 1.01 0.24 -1.43 3.85 -1.26 -4.81 116.55 115.56 3ik4 n ASP 322 Ca 0.26 -0.01 0.17 0.00 -0.71 0.00 0.00 54.79 54.50 3ik4 n ASP 322 Cb 0.37 1.78 0.87 0.00 -1.35 0.00 0.00 41.12 42.79 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 0.00 0.46 -0.03 2.12 1.35 -1.86 -0.98 112.91 113.96 3ik4 h THR 323 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 3ik4 h THR 323 Cb 0.79 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3ik4 h THR 323 CO 0.00 0.00 0.03 -0.65 -0.25 0.00 0.00 175.52 174.65 3ik4 h PRO 324 N 0.00 0.00 0.00 4.72 0.11 -1.87 -2.28 132.00 132.68 3ik4 h PRO 324 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3ik4 h PRO 324 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3ik4 h PRO 324 CO -0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3ik4 n LEU 325 N -3.84 0.45 -0.02 2.35 4.77 -0.37 -2.70 117.00 117.63 3ik4 n LEU 325 Ca -0.02 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 3ik4 n LEU 325 Cb 0.12 -0.46 0.36 0.00 -2.33 0.00 0.00 43.42 41.11 3ik4 n LEU 325 CO 0.27 -0.25 0.60 0.49 -1.33 0.00 0.00 177.39 177.17 3ik4 n PHE 326 N -1.95 0.00 -3.86 -1.77 3.01 -0.86 -4.89 117.46 107.15 3ik4 n PHE 326 Ca 0.05 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.15 3ik4 n PHE 326 Cb 0.31 -0.30 -0.11 0.00 -0.01 0.00 0.00 39.48 39.37 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 -2.95 4.64 0.05 4.37 1.01 -1.10 0.62 121.20 127.84 3ik4 s ILE 327 Ca 0.13 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.45 3ik4 s ILE 327 Cb 0.18 -3.14 -0.17 0.00 0.01 0.00 0.00 42.46 39.34 3ik4 s ILE 327 CO 0.64 0.38 1.54 0.00 0.00 0.00 0.00 174.94 177.50 3ik4 h ALA 328 N 7.57 -0.28 -3.30 9.38 0.00 -1.62 -3.45 119.26 127.56 3ik4 h ALA 328 Ca -0.37 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 3ik4 h ALA 328 Cb 1.17 0.11 -0.26 0.00 0.00 0.00 0.00 17.79 18.81 3ik4 h ALA 328 CO 0.63 -0.58 -0.54 -1.83 0.00 0.00 0.00 179.25 176.93 3ik4 s GLU 329 N -5.55 0.21 0.08 0.00 4.04 -1.26 -5.11 118.70 111.11 3ik4 s GLU 329 Ca -0.15 0.15 0.03 0.00 0.04 0.00 0.00 54.97 55.04 3ik4 s GLU 329 Cb 0.04 0.10 -0.03 0.00 0.02 0.00 0.00 34.13 34.25 3ik4 s GLU 329 CO 0.63 -0.03 -0.09 -3.38 -1.84 0.00 0.00 175.26 170.55 3ik4 s HIS 330 N -0.07 0.94 -0.36 4.83 -3.43 -1.26 -4.60 115.29 111.33 3ik4 s HIS 330 Ca -0.02 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 53.58 3ik4 s HIS 330 Cb -0.02 -0.53 0.35 0.00 -1.43 0.00 0.00 32.58 30.95 3ik4 s HIS 330 CO 0.00 -0.05 1.83 -0.35 -2.00 0.00 0.00 174.74 174.17 3ik4 n PRO 331 N 0.68 1.95 -4.88 -0.38 -0.04 -1.26 -4.95 135.00 126.11 3ik4 n PRO 331 Ca -0.17 -2.01 -0.29 0.00 -0.04 0.00 0.00 63.50 60.99 3ik4 n PRO 331 Cb 0.57 -1.79 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 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 -2.28 2.24 0.07 0.54 0.40 -1.26 -3.77 117.98 113.92 3ik4 s PHE 332 Ca 0.39 -0.41 0.09 0.00 -0.60 0.00 0.00 56.93 56.40 3ik4 s PHE 332 Cb 0.31 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 3ik4 s PHE 332 CO 0.03 0.11 -0.24 0.96 0.70 0.00 0.00 175.22 176.78 3ik4 s ILE 333 N -0.79 2.00 0.00 0.64 -4.36 -0.85 -4.99 121.20 112.84 3ik4 s ILE 333 Ca 0.11 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.05 3ik4 s ILE 333 Cb -0.10 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.87 3ik4 s ILE 333 CO 0.02 0.21 0.00 0.61 0.24 0.00 0.00 174.94 176.02 3ik4 n GLY 334 N 1.52 -0.52 7.00 6.27 0.00 -1.26 -0.47 105.19 117.73 3ik4 n GLY 334 Ca -0.17 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.43 3.77 -0.02 0.00 -0.93 -4.85 105.19 101.72 3ik4 n GLY 335 Ca 0.00 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 3.71 -0.73 1.61 -0.12 -1.26 -4.77 117.98 116.41 3ik4 s PHE 336 Ca 0.00 1.79 -0.18 0.00 -0.05 0.00 0.00 56.93 58.49 3ik4 s PHE 336 Cb 0.00 -3.05 0.13 0.00 -0.63 0.00 0.00 43.02 39.48 3ik4 s PHE 336 CO 0.00 0.02 0.84 0.00 -0.05 0.00 0.00 175.22 176.02 3ik4 s ALA 337 N -1.39 3.53 -0.20 1.99 0.00 0.13 -4.82 121.76 121.01 3ik4 s ALA 337 Ca 0.47 -2.58 -0.24 0.00 0.00 0.00 0.00 51.96 49.61 3ik4 s ALA 337 Cb -0.24 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.19 3ik4 s ALA 337 CO 0.31 -2.52 0.78 -1.14 0.00 0.00 0.00 175.76 173.18 3ik4 s GLN 338 N 2.22 4.23 -0.58 0.00 0.74 -1.26 -3.05 119.66 121.96 3ik4 s GLN 338 Ca 0.19 0.88 -0.05 0.00 0.05 0.00 0.00 55.36 56.42 3ik4 s GLN 338 Cb -0.16 -3.60 0.15 0.00 1.10 0.00 0.00 33.01 30.50 3ik4 s GLN 338 CO -0.01 -0.37 0.41 0.95 -0.55 0.00 0.00 175.29 175.72 3ik4 s THR 339 N 2.34 3.94 0.00 -0.34 -4.23 0.24 -4.95 115.64 112.65 3ik4 s THR 339 Ca 0.34 -2.50 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 3ik4 s THR 339 Cb -0.16 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.10 3ik4 s THR 339 CO 0.10 -0.84 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 3ik4 n GLY 340 N 4.03 1.13 1.95 3.99 0.00 -1.26 -2.13 105.19 112.91 3ik4 n GLY 340 Ca 0.04 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 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 6.20 2.58 -0.02 0.00 -0.63 -4.70 105.19 108.61 3ik4 n GLY 341 Ca 0.00 -2.48 -0.27 0.00 0.00 0.00 0.00 46.02 43.26 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 -4.50 -0.08 0.01 2.61 2.01 -0.91 -2.98 115.64 111.80 3ik4 s THR 342 Ca 0.52 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 3ik4 s THR 342 Cb 0.42 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 3ik4 s THR 342 CO 0.02 -0.50 0.81 -0.76 -0.69 0.00 0.00 174.62 173.50 3ik4 s LEU 343 N 2.12 4.41 -0.10 4.42 1.43 0.11 -0.59 118.68 130.48 3ik4 s LEU 343 Ca 0.05 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 3ik4 s LEU 343 Cb -0.16 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.79 3ik4 s LEU 343 CO -0.23 -0.08 -0.14 -1.58 0.23 0.00 0.00 176.35 174.56 3ik4 s GLN 344 N 0.36 2.02 0.35 1.70 2.00 -1.17 -1.08 119.66 123.83 3ik4 s GLN 344 Ca 0.41 -0.49 -0.03 0.00 -2.00 0.00 0.00 55.36 53.25 3ik4 s GLN 344 Cb -0.20 -1.74 -0.04 0.00 0.80 0.00 0.00 33.01 31.82 3ik4 s GLN 344 CO 0.23 -0.07 0.60 -0.51 -0.50 0.00 0.00 175.29 175.04 3ik4 s LEU 345 N 1.01 3.96 0.29 3.68 1.02 0.85 -0.69 118.68 128.80 3ik4 s LEU 345 Ca -0.07 0.67 0.11 0.00 0.02 0.00 0.00 54.13 54.87 3ik4 s LEU 345 Cb -0.15 -3.53 -0.05 0.00 0.02 0.00 0.00 46.19 42.48 3ik4 s LEU 345 CO -0.01 -0.30 -0.16 0.00 0.02 0.00 0.00 176.35 175.89 3ik4 s ALA 346 N -2.29 2.82 0.00 4.21 0.00 -1.26 -4.92 121.76 120.33 3ik4 s ALA 346 Ca 0.43 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.44 3ik4 s ALA 346 Cb -0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 23.12 22.61 3ik4 s ALA 346 CO 0.35 0.23 2.99 -0.25 0.00 0.00 0.00 175.76 179.08 3ik4 n ASP 347 N -0.68 5.10 -4.85 0.00 8.00 -1.26 -4.88 116.55 117.98 3ik4 n ASP 347 Ca -0.05 -2.42 -0.32 0.00 0.71 0.00 0.00 54.79 52.71 3ik4 n ASP 347 Cb 0.61 -1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.37 3ik4 n ASP 347 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ik4 s VAL 348 N 0.73 5.06 0.58 2.53 1.01 -1.26 -4.92 120.40 124.14 3ik4 s VAL 348 Ca 0.43 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 3ik4 s VAL 348 Cb 0.21 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3ik4 s VAL 348 CO 0.00 0.21 1.25 0.00 0.00 0.00 0.00 175.10 176.56 3ik4 s ALA 349 N -1.38 2.59 0.00 5.51 0.00 -1.26 -4.19 121.76 123.03 3ik4 s ALA 349 Ca 0.30 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3ik4 s ALA 349 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3ik4 s ALA 349 CO 0.22 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3ik4 n GLY 350 N 0.62 1.04 0.14 0.00 0.00 -0.49 -3.21 105.19 103.29 3ik4 n GLY 350 Ca 0.13 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.59 3ik4 n GLY 350 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3ik4 h HIS 351 N 0.00 0.00 -0.05 1.61 -0.00 -1.87 -2.46 115.15 112.37 3ik4 h HIS 351 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3ik4 h HIS 351 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3ik4 h HIS 351 CO 0.00 0.00 -0.02 0.41 -0.00 0.00 0.00 177.93 178.32 3ik4 n GLY 352 N 1.24 0.50 3.31 6.13 0.00 -1.20 -4.46 105.19 110.72 3ik4 n GLY 352 Ca 0.05 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.96 3.61 0.47 1.61 0.11 -1.26 -2.19 120.40 120.78 3ik4 s VAL 353 Ca 0.00 -0.71 0.04 0.00 -2.93 0.00 0.00 61.98 58.37 3ik4 s VAL 353 Cb 0.00 -2.81 0.04 0.00 -1.53 0.00 0.00 36.38 32.08 3ik4 s VAL 353 CO 0.00 0.18 0.32 0.59 -3.33 0.00 0.00 175.10 172.86 3ik4 n ASN 354 N 4.81 2.55 -1.48 3.54 3.02 0.39 -4.93 115.26 123.15 3ik4 n ASN 354 Ca -0.16 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 3ik4 n ASN 354 Cb 0.48 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3ik4 n ASN 354 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ik4 n LEU 355 N 0.00 0.00 0.00 3.41 4.77 -1.26 -2.01 117.00 121.91 3ik4 n LEU 355 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3ik4 n LEU 355 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ik4 n LEU 355 CO 0.31 -0.26 0.14 -0.62 -1.33 0.00 0.00 177.39 175.64