#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikb n THR 2 N 0.00 0.00 -3.96 0.00 5.66 -1.26 -4.82 114.28 109.91 3ikb n THR 2 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3ikb n THR 2 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 3ikb n THR 2 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3ikb s SER 3 N -0.02 0.25 0.26 1.09 1.04 -1.26 -5.04 113.70 110.02 3ikb s SER 3 Ca 0.00 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 55.69 3ikb s SER 3 Cb 0.00 0.25 0.33 0.00 0.10 0.00 0.00 66.02 66.70 3ikb s SER 3 CO 0.00 -0.59 1.87 -0.07 0.98 0.00 0.00 173.24 175.43 3ikb h LEU 4 N 3.29 0.97 -0.30 2.42 3.38 -1.99 -1.58 115.31 121.50 3ikb h LEU 4 Ca -0.33 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3ikb h LEU 4 Cb 1.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3ikb h LEU 4 CO 0.56 0.81 0.14 -0.08 0.09 0.00 0.00 178.44 179.96 3ikb h GLU 5 N 1.07 0.30 -0.55 1.13 4.57 -1.99 0.94 114.58 120.04 3ikb h GLU 5 Ca 0.26 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 3ikb h GLU 5 Cb 0.09 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3ikb h GLU 5 CO -0.04 0.20 0.13 0.93 -1.18 0.00 0.00 179.01 179.05 3ikb h GLU 6 N 0.30 0.85 -0.43 1.92 5.08 -1.82 -1.57 114.58 118.92 3ikb h GLU 6 Ca 0.13 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3ikb h GLU 6 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3ikb h GLU 6 CO -0.09 0.77 -0.11 0.82 -1.00 0.00 0.00 179.01 179.39 3ikb h ILE 7 N 0.82 1.27 -0.33 3.13 2.04 -0.81 -1.77 117.51 121.85 3ikb h ILE 7 Ca 0.18 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 64.87 3ikb h ILE 7 Cb 0.31 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3ikb h ILE 7 CO -0.00 0.41 0.08 0.74 0.00 0.00 0.00 178.15 179.38 3ikb h THR 8 N 0.65 0.85 -0.96 -0.27 2.02 -0.45 -0.49 112.91 114.25 3ikb h THR 8 Ca 0.11 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3ikb h THR 8 Cb 0.64 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3ikb h THR 8 CO 0.04 0.04 0.63 0.11 0.37 0.00 0.00 175.52 176.71 3ikb h LYS 9 N 0.20 1.21 -0.54 6.66 1.79 -1.19 -2.78 116.57 121.93 3ikb h LYS 9 Ca 0.16 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 3ikb h LYS 9 Cb 0.16 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 3ikb h LYS 9 CO -0.20 0.80 -0.10 0.00 -1.08 0.00 0.00 179.45 178.88 3ikb h ALA 10 N 1.38 0.74 0.00 3.86 0.00 -0.50 -1.32 119.26 123.42 3ikb h ALA 10 Ca 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ikb h ALA 10 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ikb h ALA 10 CO -0.10 0.65 0.00 -0.89 0.00 0.00 0.00 179.25 178.91 3ikb n ILE 11 N -4.17 0.02 0.00 0.00 5.41 -0.27 -2.04 119.36 118.32 3ikb n ILE 11 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3ikb n ILE 11 Cb 0.40 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 3ikb n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ikb n ALA 13 N 0.68 0.00 -1.93 -1.39 0.00 -0.50 -4.64 120.51 112.73 3ikb n ALA 13 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3ikb n ALA 13 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 3ikb n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ikb s ASP 14 N 0.00 6.59 0.56 0.00 2.15 -0.86 -4.90 116.67 120.20 3ikb s ASP 14 Ca 0.00 2.62 0.27 0.00 0.43 0.00 0.00 52.55 55.87 3ikb s ASP 14 Cb 0.00 -2.60 1.48 0.00 -0.30 0.00 0.00 42.92 41.50 3ikb s ASP 14 CO 0.00 -0.81 2.01 0.77 -0.17 0.00 0.00 175.17 176.96 3ikb h SER 15 N 6.61 0.00 -0.61 -0.34 4.64 -1.93 -0.07 113.55 121.85 3ikb h SER 15 Ca -0.43 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.02 3ikb h SER 15 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 3ikb h SER 15 CO 0.90 0.00 0.42 -0.61 -0.87 0.00 0.00 176.83 176.67 3ikb h GLN 16 N 0.00 0.28 -0.32 4.77 4.15 -1.92 -2.66 115.11 119.42 3ikb h GLN 16 Ca 0.20 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3ikb h GLN 16 Cb 0.89 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.52 3ikb h GLN 16 CO -0.00 0.19 0.00 0.09 -1.93 0.00 0.00 178.83 177.17 3ikb n ASN 17 N -4.45 3.42 -0.26 -0.69 5.03 -0.05 -4.67 115.26 113.59 3ikb n ASN 17 Ca 0.11 -2.47 0.01 0.00 0.87 0.00 0.00 54.58 53.10 3ikb n ASN 17 Cb 0.47 -0.38 0.22 0.00 -1.02 0.00 0.00 39.78 39.08 3ikb n ASN 17 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 3ikb h LYS 18 N 1.99 1.04 -0.62 3.52 5.09 -1.39 -0.58 116.57 125.63 3ikb h LYS 18 Ca 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 60.65 60.63 3ikb h LYS 18 Cb 1.08 -0.24 -0.03 0.00 0.10 0.00 0.00 32.23 33.14 3ikb h LYS 18 CO 0.11 0.69 0.21 0.28 -2.09 0.00 0.00 179.45 178.65 3ikb h VAL 19 N 1.08 1.23 -0.06 0.07 2.07 -1.83 -0.20 116.25 118.60 3ikb h VAL 19 Ca 0.32 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3ikb h VAL 19 Cb -0.04 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3ikb h VAL 19 CO -0.08 0.30 -0.03 -0.26 0.02 0.00 0.00 177.57 177.52 3ikb h PHE 20 N 0.90 0.15 -0.57 1.57 0.04 -1.62 -2.97 116.94 114.44 3ikb h PHE 20 Ca 0.21 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 61.00 3ikb h PHE 20 Cb 0.23 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 3ikb h PHE 20 CO 0.02 0.49 0.28 1.15 -0.60 0.00 0.00 178.31 179.65 3ikb h THR 21 N -0.24 0.91 0.00 -1.55 2.02 -0.79 -1.35 112.91 111.91 3ikb h THR 21 Ca 0.01 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3ikb h THR 21 Cb 0.45 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3ikb h THR 21 CO 0.01 0.10 -0.00 -0.33 0.37 0.00 0.00 175.52 175.66 3ikb h GLU 22 N 0.52 0.00 -0.68 6.66 4.39 -1.09 -0.32 114.58 124.07 3ikb h GLU 22 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3ikb h GLU 22 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3ikb h GLU 22 CO -0.20 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.28 3ikb n LYS 23 N -3.10 2.68 -1.40 2.33 5.02 -0.65 -4.96 118.16 118.08 3ikb n LYS 23 Ca -0.01 -2.46 -0.10 0.00 -2.02 0.00 0.00 58.31 53.72 3ikb n LYS 23 Cb 0.24 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 3ikb n LYS 23 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ikb n ASN 24 N 1.43 -4.11 -4.73 4.39 5.15 -0.13 -5.01 115.26 112.26 3ikb n ASN 24 Ca 0.23 0.22 -0.35 0.00 -0.60 0.00 0.00 54.58 54.07 3ikb n ASN 24 Cb 0.60 -2.60 -0.08 0.00 -0.53 0.00 0.00 39.78 37.16 3ikb n ASN 24 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ikb s ILE 25 N -2.39 5.03 0.18 -1.44 1.01 -0.60 -5.03 121.20 117.96 3ikb s ILE 25 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.73 3ikb s ILE 25 Cb 0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3ikb s ILE 25 CO 0.00 0.52 0.26 -1.61 0.00 0.00 0.00 174.94 174.11 3ikb s GLU 26 N -0.23 3.27 0.47 2.79 2.02 -1.26 -3.90 118.70 121.86 3ikb s GLU 26 Ca 0.09 -0.74 -0.23 0.00 0.02 0.00 0.00 54.97 54.10 3ikb s GLU 26 Cb -0.12 -2.84 -0.07 0.00 0.10 0.00 0.00 34.13 31.21 3ikb s GLU 26 CO 0.01 0.48 1.29 -1.25 0.02 0.00 0.00 175.26 175.81 3ikb s PRO 27 N -3.43 3.60 -0.24 0.39 0.04 -1.26 -4.93 135.00 129.17 3ikb s PRO 27 Ca 0.33 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.39 3ikb s PRO 27 Cb -0.10 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 3ikb s PRO 27 CO 0.27 -0.77 0.03 -1.17 0.04 0.00 0.00 177.00 175.40 3ikb s LEU 28 N -3.01 3.26 0.02 -3.56 2.96 -0.21 -5.04 118.68 113.09 3ikb s LEU 28 Ca 0.64 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 54.04 3ikb s LEU 28 Cb -0.36 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.52 3ikb s LEU 28 CO 0.44 -0.04 0.48 0.72 -1.32 0.00 0.00 176.35 176.64 3ikb s PHE 29 N 1.56 -0.38 -0.23 5.38 -0.12 -1.26 -4.60 117.98 118.32 3ikb s PHE 29 Ca 0.06 0.48 0.02 0.00 -0.05 0.00 0.00 56.93 57.44 3ikb s PHE 29 Cb -0.15 0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.56 3ikb s PHE 29 CO 0.01 -0.58 -0.13 0.00 -0.05 0.00 0.00 175.22 174.47 3ikb s ALA 30 N -2.06 2.51 -0.40 1.99 0.00 -0.40 -4.99 121.76 118.40 3ikb s ALA 30 Ca -0.08 -1.57 0.11 0.00 0.00 0.00 0.00 51.96 50.43 3ikb s ALA 30 Cb -0.01 -1.47 0.36 0.00 0.00 0.00 0.00 23.12 22.00 3ikb s ALA 30 CO 0.01 -0.89 0.81 0.00 0.00 0.00 0.00 175.76 175.68 3ikb n ALA 31 N 4.52 2.72 -1.74 0.00 0.00 -1.26 -0.53 120.51 124.22 3ikb n ALA 31 Ca -0.16 -3.61 -0.42 0.00 0.00 0.00 0.00 53.44 49.24 3ikb n ALA 31 Cb 0.45 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 3ikb n ALA 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ikb n PRO 32 N 0.13 2.64 0.31 0.00 -0.04 -1.26 -4.85 135.00 131.93 3ikb n PRO 32 Ca 0.24 0.94 0.20 0.00 -0.04 0.00 0.00 63.50 64.85 3ikb n PRO 32 Cb 0.63 -2.72 1.03 0.00 -0.04 0.00 0.00 33.50 32.41 3ikb n PRO 32 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3ikb h LYS 33 N 4.90 0.00 -0.05 0.54 2.10 -1.87 -0.42 116.57 121.76 3ikb h LYS 33 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3ikb h LYS 33 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3ikb h LYS 33 CO 0.80 0.01 0.00 0.25 -2.00 0.00 0.00 179.45 178.52 3ikb n THR 34 N -3.19 0.06 -1.74 0.07 -2.24 -1.26 -4.51 114.28 101.47 3ikb n THR 34 Ca -0.02 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3ikb n THR 34 Cb 0.14 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3ikb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ikb n ALA 35 N -0.33 2.59 0.04 6.98 0.00 -0.17 -4.53 120.51 125.09 3ikb n ALA 35 Ca 0.17 0.38 0.03 0.00 0.00 0.00 0.00 53.44 54.03 3ikb n ALA 35 Cb 0.20 -2.48 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 3ikb n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ikb n ARG 36 N 2.60 0.98 -4.47 0.00 1.74 0.16 -2.61 116.66 115.05 3ikb n ARG 36 Ca 0.10 -0.05 -0.25 0.00 -0.77 0.00 0.00 57.85 56.89 3ikb n ARG 36 Cb 0.36 -1.09 -0.17 0.00 -1.02 0.00 0.00 32.46 30.55 3ikb n ARG 36 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ikb s ILE 37 N -2.29 1.11 -0.20 0.55 1.01 -0.38 -0.43 121.20 120.57 3ikb s ILE 37 Ca -0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3ikb s ILE 37 Cb 0.04 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 3ikb s ILE 37 CO 0.26 0.35 0.03 0.21 0.00 0.00 0.00 174.94 175.80 3ikb s ASN 38 N 0.83 5.18 -0.32 3.58 2.47 -0.28 -0.78 114.94 125.62 3ikb s ASN 38 Ca -0.11 -0.09 -0.10 0.00 0.42 0.00 0.00 52.86 52.97 3ikb s ASN 38 Cb -0.15 -1.89 -0.01 0.00 -1.45 0.00 0.00 41.25 37.74 3ikb s ASN 38 CO 0.02 0.09 0.18 -0.63 -3.72 0.00 0.00 177.10 173.04 3ikb s ILE 39 N 0.84 4.81 -0.36 -5.21 1.01 0.32 -0.35 121.20 122.26 3ikb s ILE 39 Ca 0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 3ikb s ILE 39 Cb -0.14 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.93 3ikb s ILE 39 CO 0.02 0.06 0.16 -0.69 0.00 0.00 0.00 174.94 174.50 3ikb s VAL 40 N 1.65 4.08 0.00 2.92 1.01 0.19 -2.04 120.40 128.21 3ikb s VAL 40 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3ikb s VAL 40 Cb -0.17 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3ikb s VAL 40 CO 0.08 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3ikb n GLY 41 N 4.88 4.27 0.00 4.51 0.00 -1.26 -0.29 105.19 117.30 3ikb n GLY 41 Ca -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3ikb n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ikb n GLN 42 N 0.00 0.00 -3.60 1.61 7.27 -1.26 -4.57 117.38 116.83 3ikb n GLN 42 Ca 0.00 0.34 -0.05 0.00 0.07 0.00 0.00 57.00 57.36 3ikb n GLN 42 Cb 0.00 -0.83 -0.03 0.00 2.41 0.00 0.00 30.24 31.79 3ikb n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ikb s ALA 43 N -3.13 -2.05 0.57 1.69 0.00 -1.26 -1.99 121.76 115.59 3ikb s ALA 43 Ca 0.00 1.64 -0.18 0.00 0.00 0.00 0.00 51.96 53.42 3ikb s ALA 43 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3ikb s ALA 43 CO 0.00 -0.46 1.11 -1.25 0.00 0.00 0.00 175.76 175.16 3ikb s PRO 44 N -1.88 3.24 0.13 0.00 0.04 -1.26 -5.01 135.00 130.27 3ikb s PRO 44 Ca 0.07 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3ikb s PRO 44 Cb -0.01 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3ikb s PRO 44 CO -0.05 -0.92 0.18 0.41 0.04 0.00 0.00 177.00 176.66 3ikb n GLY 45 N -0.10 0.83 0.20 0.56 0.00 -1.26 -3.91 105.19 101.51 3ikb n GLY 45 Ca 0.11 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 3ikb n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ikb h ILE 46 N -0.39 1.00 -0.15 -0.61 2.04 -1.97 -0.24 117.51 117.19 3ikb h ILE 46 Ca -0.06 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 3ikb h ILE 46 Cb 0.22 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3ikb h ILE 46 CO 0.07 0.10 -0.44 0.11 0.00 0.00 0.00 178.15 177.98 3ikb h LYS 47 N 0.53 0.36 -0.21 2.37 1.57 -2.00 -2.13 116.57 117.07 3ikb h LYS 47 Ca 0.20 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 3ikb h LYS 47 Cb 0.07 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3ikb h LYS 47 CO -0.12 0.74 -0.59 0.00 -0.57 0.00 0.00 179.45 178.91 3ikb h ALA 48 N 1.24 0.57 -0.89 3.86 0.00 -1.77 -0.50 119.26 121.76 3ikb h ALA 48 Ca 0.02 -0.53 0.14 0.00 0.00 0.00 0.00 54.91 54.54 3ikb h ALA 48 Cb 0.90 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3ikb h ALA 48 CO 0.07 0.69 0.58 0.37 0.00 0.00 0.00 179.25 180.96 3ikb h GLN 49 N 0.51 0.70 0.16 0.00 4.15 -0.72 -0.35 115.11 119.56 3ikb h GLN 49 Ca 0.00 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 59.15 3ikb h GLN 49 Cb 1.16 -0.16 0.02 0.00 0.21 0.00 0.00 27.48 28.72 3ikb h GLN 49 CO 0.12 0.46 -1.07 1.49 -1.93 0.00 0.00 178.83 177.91 3ikb h GLU 50 N 0.72 0.33 0.00 1.69 4.57 -1.14 -3.35 114.58 117.41 3ikb h GLU 50 Ca 0.45 -0.57 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3ikb h GLU 50 Cb 0.68 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3ikb h GLU 50 CO -0.21 1.27 0.00 0.66 -1.18 0.00 0.00 179.01 179.56 3ikb h SER 51 N -0.26 0.00 -3.69 1.04 4.64 -0.88 -3.47 113.55 110.93 3ikb h SER 51 Ca -0.20 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.75 3ikb h SER 51 Cb 1.76 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.89 3ikb h SER 51 CO 0.15 0.00 -0.53 0.54 -0.87 0.00 0.00 176.83 176.12 3ikb n ARG 52 N -3.06 -3.61 -3.90 4.77 5.12 -0.16 -5.02 116.66 110.81 3ikb n ARG 52 Ca 0.03 0.86 -0.12 0.00 -1.93 0.00 0.00 57.85 56.69 3ikb n ARG 52 Cb 0.46 -5.51 -0.14 0.00 -1.16 0.00 0.00 32.46 26.12 3ikb n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ikb s LEU 53 N -5.92 2.02 0.16 0.55 1.43 -1.24 -5.02 118.68 110.66 3ikb s LEU 53 Ca 0.19 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3ikb s LEU 53 Cb -0.09 -0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 3ikb s LEU 53 CO 0.24 -0.02 0.33 -0.31 0.23 0.00 0.00 176.35 176.83 3ikb s TYR 54 N -0.12 3.49 -1.57 0.29 2.02 -1.26 -4.55 117.35 115.64 3ikb s TYR 54 Ca -0.01 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 3ikb s TYR 54 Cb -0.01 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3ikb s TYR 54 CO -0.00 0.45 0.00 0.91 -1.57 0.00 0.00 175.55 175.34 3ikb n TRP 55 N -0.39 -0.00 -2.03 2.71 7.02 -1.26 -4.88 117.44 118.60 3ikb n TRP 55 Ca -0.05 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.02 3ikb n TRP 55 Cb 0.53 -3.05 -0.00 0.00 -2.42 0.00 0.00 31.31 26.37 3ikb n TRP 55 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3ikb n ASN 56 N -1.27 7.09 -3.13 -0.99 5.15 -1.26 -3.88 115.26 116.97 3ikb n ASN 56 Ca -0.15 -3.08 -0.05 0.00 -0.60 0.00 0.00 54.58 50.70 3ikb n ASN 56 Cb 0.63 -1.42 0.02 0.00 -0.53 0.00 0.00 39.78 38.49 3ikb n ASN 56 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3ikb s ASP 57 N 0.74 0.03 0.26 1.20 1.47 -1.26 -5.02 116.67 114.09 3ikb s ASP 57 Ca 0.51 -0.90 -0.04 0.00 1.18 0.00 0.00 52.55 53.30 3ikb s ASP 57 Cb 0.16 0.64 0.33 0.00 -0.34 0.00 0.00 42.92 43.70 3ikb s ASP 57 CO -0.06 -1.28 1.86 0.11 0.68 0.00 0.00 175.17 176.49 3ikb h LYS 58 N 2.00 1.06 -0.58 2.11 1.79 -1.99 -0.44 116.57 120.52 3ikb h LYS 58 Ca -0.30 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 57.98 3ikb h LYS 58 Cb 1.23 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 3ikb h LYS 58 CO 0.39 0.82 0.18 0.66 -1.08 0.00 0.00 179.45 180.42 3ikb h SER 59 N 1.06 0.85 0.22 0.86 4.64 -1.91 -1.94 113.55 117.33 3ikb h SER 59 Ca 0.26 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 3ikb h SER 59 Cb 0.10 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3ikb h SER 59 CO -0.03 0.84 -0.28 1.23 -0.87 0.00 0.00 176.83 177.71 3ikb h GLY 60 N 0.83 0.12 1.00 -0.77 0.00 -1.48 -0.99 103.07 101.78 3ikb h GLY 60 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3ikb h GLY 60 CO -0.01 0.09 0.37 -0.55 0.00 0.00 0.00 176.54 176.44 3ikb h ASP 61 N 0.11 0.85 -0.40 0.19 3.32 -0.56 0.01 116.42 119.94 3ikb h ASP 61 Ca 0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3ikb h ASP 61 Cb 0.56 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3ikb h ASP 61 CO 0.04 0.71 0.04 -0.09 -1.72 0.00 0.00 179.24 178.21 3ikb h ARG 62 N 0.93 0.68 -0.28 3.56 9.65 -0.92 -1.14 114.38 126.85 3ikb h ARG 62 Ca 0.24 -0.20 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 3ikb h ARG 62 Cb 0.05 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.51 3ikb h ARG 62 CO -0.04 0.75 -0.00 1.25 2.80 0.00 0.00 179.97 184.73 3ikb h LEU 63 N 0.52 -0.12 -0.95 3.80 6.46 -0.94 0.17 115.31 124.26 3ikb h LEU 63 Ca 0.12 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 3ikb h LEU 63 Cb 0.42 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 3ikb h LEU 63 CO 0.01 -0.03 0.48 0.03 -0.62 0.00 0.00 178.44 178.32 3ikb h ARG 64 N 0.08 1.22 -0.10 1.25 3.08 -0.85 -2.49 114.38 116.56 3ikb h ARG 64 Ca 0.14 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3ikb h ARG 64 Cb 0.18 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 3ikb h ARG 64 CO -0.23 0.89 -0.25 0.93 -1.07 0.00 0.00 179.97 180.24 3ikb h GLU 65 N 1.23 -0.32 -0.02 0.04 5.08 -0.61 -0.51 114.58 119.47 3ikb h GLU 65 Ca 0.31 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3ikb h GLU 65 Cb 0.03 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ikb h GLU 65 CO -0.05 -0.21 0.00 0.91 -1.00 0.00 0.00 179.01 178.66 3ikb n TRP 66 N -5.37 0.00 -1.99 4.33 8.01 -0.01 -4.68 117.44 117.73 3ikb n TRP 66 Ca -0.03 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.14 3ikb n TRP 66 Cb 0.29 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.59 3ikb n TRP 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ikb n GLY 68 N 0.35 -0.00 3.19 6.99 0.00 -0.25 -4.26 105.19 111.20 3ikb n GLY 68 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3ikb n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ikb s VAL 69 N 0.02 1.48 0.90 1.61 -7.23 -0.88 -5.03 120.40 111.27 3ikb s VAL 69 Ca 0.01 -0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 59.21 3ikb s VAL 69 Cb 0.06 -1.24 0.15 0.00 0.56 0.00 0.00 36.38 35.91 3ikb s VAL 69 CO -0.02 0.39 1.23 1.51 -0.31 0.00 0.00 175.10 177.90 3ikb s ASP 70 N -0.50 3.63 0.14 4.85 1.47 -1.26 -4.48 116.67 120.52 3ikb s ASP 70 Ca 0.07 0.59 -0.17 0.00 1.18 0.00 0.00 52.55 54.23 3ikb s ASP 70 Cb -0.07 -0.91 -0.00 0.00 -0.34 0.00 0.00 42.92 41.60 3ikb s ASP 70 CO -0.01 -2.44 1.79 0.22 0.68 0.00 0.00 175.17 175.41 3ikb h TYR 71 N -1.43 0.47 -0.42 2.11 3.20 -1.99 -0.75 116.97 118.16 3ikb h TYR 71 Ca -0.46 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 3ikb h TYR 71 Cb 1.29 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3ikb h TYR 71 CO -0.40 0.32 0.23 0.22 -1.64 0.00 0.00 178.16 176.89 3ikb h ASP 72 N 0.49 0.52 -0.24 -2.11 3.58 -1.99 -1.34 116.42 115.33 3ikb h ASP 72 Ca 0.13 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3ikb h ASP 72 Cb -0.02 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3ikb h ASP 72 CO -0.03 0.46 0.16 0.74 -2.88 0.00 0.00 179.24 177.69 3ikb h THR 73 N 0.55 1.07 -0.38 2.25 2.02 -1.89 0.50 112.91 117.04 3ikb h THR 73 Ca 0.15 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3ikb h THR 73 Cb 0.05 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3ikb h THR 73 CO -0.02 0.07 0.14 0.15 0.37 0.00 0.00 175.52 176.22 3ikb h PHE 74 N 0.32 0.24 0.00 3.16 3.57 -0.75 -2.26 116.94 121.22 3ikb h PHE 74 Ca 0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 3ikb h PHE 74 Cb -0.02 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3ikb h PHE 74 CO -0.05 0.10 -1.32 1.88 -2.23 0.00 0.00 178.31 176.68 3ikb h TYR 75 N 0.30 0.00 0.00 0.41 0.05 -1.12 -3.42 116.97 113.18 3ikb h TYR 75 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 3ikb h TYR 75 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3ikb h TYR 75 CO -0.14 0.50 0.00 0.72 -1.05 0.00 0.00 178.16 178.18 3ikb n HIS 76 N -2.87 0.00 0.26 4.88 8.25 0.16 -4.66 115.22 121.24 3ikb n HIS 76 Ca -0.08 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.54 3ikb n HIS 76 Cb 0.80 0.00 0.59 0.00 1.12 0.00 0.00 29.99 32.49 3ikb n HIS 76 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ikb h SER 77 N 0.00 0.00 0.00 0.41 4.64 -1.46 -3.47 113.55 113.67 3ikb h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ikb h SER 77 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ikb h SER 77 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3ikb n GLY 78 N 0.19 0.45 0.00 -0.77 0.00 -1.26 -4.93 105.19 98.87 3ikb n GLY 78 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3ikb n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ikb n TYR 79 N -2.71 0.01 -4.39 1.61 4.01 -1.26 -2.61 117.16 111.82 3ikb n TYR 79 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 3ikb n TYR 79 Cb 0.08 -0.17 -0.15 0.00 -0.31 0.00 0.00 39.34 38.80 3ikb n TYR 79 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ikb s PHE 80 N -3.01 2.83 0.14 -0.72 0.08 -1.26 -0.67 117.98 115.38 3ikb s PHE 80 Ca 0.10 -1.01 0.01 0.00 0.12 0.00 0.00 56.93 56.14 3ikb s PHE 80 Cb 0.17 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 3ikb s PHE 80 CO 0.76 -0.48 0.30 0.00 -0.10 0.00 0.00 175.22 175.71 3ikb s ALA 81 N 0.93 3.93 -0.24 5.36 0.00 0.04 -4.70 121.76 127.08 3ikb s ALA 81 Ca -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 3ikb s ALA 81 Cb -0.15 -1.87 0.08 0.00 0.00 0.00 0.00 23.12 21.17 3ikb s ALA 81 CO -0.01 0.58 0.06 0.08 0.00 0.00 0.00 175.76 176.47 3ikb s VAL 82 N -1.72 0.53 -0.51 0.00 1.01 0.31 -0.52 120.40 119.50 3ikb s VAL 82 Ca 0.36 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3ikb s VAL 82 Cb -0.12 -1.19 0.16 0.00 0.00 0.00 0.00 36.38 35.24 3ikb s VAL 82 CO 0.28 -0.40 0.38 -0.63 0.00 0.00 0.00 175.10 174.73 3ikb s ILE 83 N 1.83 1.32 0.00 2.22 1.01 -0.87 -1.28 121.20 125.43 3ikb s ILE 83 Ca 0.03 -3.17 0.00 0.00 0.00 0.00 0.00 60.65 57.52 3ikb s ILE 83 Cb -0.17 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.41 3ikb s ILE 83 CO -0.16 -1.11 0.00 -0.81 0.00 0.00 0.00 174.94 172.85 3ikb n PRO 84 N 2.66 0.00 -1.27 2.79 -0.05 -1.26 -4.47 135.00 133.39 3ikb n PRO 84 Ca 0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 63.50 63.25 3ikb n PRO 84 Cb 0.42 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.85 3ikb n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3ikb n ASP 86 N 0.00 -1.57 -0.81 3.54 -0.08 -0.84 -4.91 116.55 111.87 3ikb n ASP 86 Ca 0.00 0.97 0.12 0.00 -1.51 0.00 0.00 54.79 54.37 3ikb n ASP 86 Cb 0.00 -0.86 0.27 0.00 2.34 0.00 0.00 41.12 42.87 3ikb n ASP 86 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ikb n PHE 87 N -0.26 0.13 -4.40 -0.67 3.72 -1.26 -4.14 117.46 110.58 3ikb n PHE 87 Ca 0.15 -0.06 -0.21 0.00 -0.05 0.00 0.00 57.45 57.28 3ikb n PHE 87 Cb 0.27 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.71 3ikb n PHE 87 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3ikb s TYR 88 N -1.87 1.96 -0.35 1.38 2.02 -1.26 -1.04 117.35 118.19 3ikb s TYR 88 Ca 0.33 -0.48 -0.29 0.00 -0.37 0.00 0.00 57.07 56.27 3ikb s TYR 88 Cb 0.20 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 40.88 3ikb s TYR 88 CO 0.31 0.51 1.23 -0.47 -1.57 0.00 0.00 175.55 175.55 3ikb s TYR 89 N -2.78 2.79 -0.97 2.71 5.04 -1.25 -4.22 117.35 118.66 3ikb s TYR 89 Ca 0.26 0.90 0.20 0.00 -2.44 0.00 0.00 57.07 55.99 3ikb s TYR 89 Cb -0.02 -3.98 0.83 0.00 0.35 0.00 0.00 41.96 39.14 3ikb s TYR 89 CO 0.10 -1.44 1.63 -2.30 -1.34 0.00 0.00 175.55 172.21 3ikb n PRO 90 N 7.37 0.01 0.00 4.97 -0.02 -1.26 -4.99 135.00 141.08 3ikb n PRO 90 Ca 0.14 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3ikb n PRO 90 Cb 0.47 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3ikb n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikb n GLY 91 N 0.50 -2.12 3.56 -1.23 0.00 -1.26 -4.76 105.19 99.88 3ikb n GLY 91 Ca 0.05 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 3ikb n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ikb s LYS 92 N -0.89 3.82 0.00 1.61 2.20 -1.26 -0.52 119.74 124.71 3ikb s LYS 92 Ca 0.00 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3ikb s LYS 92 Cb 0.00 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3ikb s LYS 92 CO 0.00 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 3ikb n GLY 93 N 3.87 1.73 0.12 5.54 0.00 -0.45 -4.72 105.19 111.28 3ikb n GLY 93 Ca -0.17 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 3ikb n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ikb n LYS 94 N 0.00 0.69 -0.10 1.61 4.76 -1.26 -4.66 118.16 119.20 3ikb n LYS 94 Ca 0.00 0.18 -0.17 0.00 -2.87 0.00 0.00 58.31 55.45 3ikb n LYS 94 Cb 0.00 -1.63 -0.13 0.00 -1.84 0.00 0.00 35.03 31.43 3ikb n LYS 94 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ikb n SER 95 N -3.20 1.66 0.00 4.39 2.88 -1.26 -5.06 113.62 113.04 3ikb n SER 95 Ca -0.34 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 3ikb n SER 95 Cb 1.05 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 3ikb n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ikb n GLY 96 N 2.12 3.61 3.77 0.46 0.00 -1.26 -5.14 105.19 108.74 3ikb n GLY 96 Ca -0.41 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 3ikb n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ikb s ASP 97 N 1.87 5.76 0.60 1.61 1.01 -1.26 -1.34 116.67 124.93 3ikb s ASP 97 Ca 0.00 2.28 -0.19 0.00 0.71 0.00 0.00 52.55 55.34 3ikb s ASP 97 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3ikb s ASP 97 CO 0.00 -1.19 1.19 0.18 0.21 0.00 0.00 175.17 175.55 3ikb n LEU 98 N -1.07 4.98 -4.74 1.23 4.77 0.32 -4.61 117.00 117.88 3ikb n LEU 98 Ca 0.10 0.87 -0.30 0.00 -0.03 0.00 0.00 56.01 56.65 3ikb n LEU 98 Cb 0.50 -1.50 0.12 0.00 -2.33 0.00 0.00 43.42 40.21 3ikb n LEU 98 CO 0.45 -1.20 0.68 -2.16 -1.33 0.00 0.00 177.39 173.83 3ikb s PRO 99 N -2.98 1.51 0.37 3.23 0.04 -1.26 -4.59 135.00 131.32 3ikb s PRO 99 Ca 0.77 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.34 3ikb s PRO 99 Cb -0.41 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.17 3ikb s PRO 99 CO 0.45 -2.05 1.04 -2.30 0.04 0.00 0.00 177.00 174.18 3ikb n PRO 100 N -3.75 1.46 -2.64 0.56 -0.02 -1.26 -4.81 135.00 124.54 3ikb n PRO 100 Ca 0.07 0.52 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 3ikb n PRO 100 Cb 0.55 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 3ikb n PRO 100 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ikb s ARG 101 N -1.85 4.56 0.34 -0.52 0.52 -1.26 -4.98 118.95 115.76 3ikb s ARG 101 Ca 0.61 1.53 -0.29 0.00 -0.52 0.00 0.00 55.73 57.06 3ikb s ARG 101 Cb -0.60 -2.95 -0.10 0.00 0.52 0.00 0.00 34.95 31.82 3ikb s ARG 101 CO 0.59 0.22 1.34 0.15 0.02 0.00 0.00 175.30 177.62 3ikb s LYS 102 N -1.80 4.31 0.00 3.54 1.02 -1.26 -2.96 119.74 122.59 3ikb s LYS 102 Ca 0.48 2.28 0.00 0.00 0.02 0.00 0.00 55.97 58.76 3ikb s LYS 102 Cb -0.24 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3ikb s LYS 102 CO 0.31 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 3ikb n GLY 103 N 0.81 2.04 0.09 -3.33 0.00 -1.26 -4.92 105.19 98.62 3ikb n GLY 103 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3ikb n GLY 103 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ikb h PHE 104 N 0.00 -0.08 -0.83 1.61 3.57 -1.94 -2.93 116.94 116.33 3ikb h PHE 104 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ikb h PHE 104 Cb 0.00 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3ikb h PHE 104 CO 0.00 0.44 0.55 0.00 -2.23 0.00 0.00 178.31 177.07 3ikb h ALA 105 N 0.17 1.42 -0.67 2.41 0.00 -1.91 -1.93 119.26 118.74 3ikb h ALA 105 Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ikb h ALA 105 Cb 0.56 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3ikb h ALA 105 CO 0.02 0.54 0.44 1.96 0.00 0.00 0.00 179.25 182.20 3ikb h GLN 106 N 1.12 0.82 0.05 0.00 7.50 -1.95 -1.83 115.11 120.82 3ikb h GLN 106 Ca 0.31 -0.05 -0.26 0.00 0.50 0.00 0.00 58.65 59.15 3ikb h GLN 106 Cb -0.11 -0.19 0.01 0.00 0.05 0.00 0.00 27.48 27.25 3ikb h GLN 106 CO -0.07 0.55 -1.08 -0.22 -1.50 0.00 0.00 178.83 176.50 3ikb h LYS 107 N 0.85 0.47 0.00 1.46 3.64 -1.17 -3.42 116.57 118.39 3ikb h LYS 107 Ca 0.26 -0.58 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 3ikb h LYS 107 Cb -0.01 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3ikb h LYS 107 CO -0.06 1.22 -1.28 0.91 -2.27 0.00 0.00 179.45 177.96 3ikb n TRP 108 N -3.73 0.00 0.12 1.91 7.02 -0.94 -4.69 117.44 117.14 3ikb n TRP 108 Ca -0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.25 3ikb n TRP 108 Cb 0.91 -0.17 -0.08 0.00 -2.42 0.00 0.00 31.31 29.56 3ikb n TRP 108 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3ikb h HIS 109 N 0.00 -0.22 -0.59 -5.99 3.86 -1.57 -3.20 115.15 107.44 3ikb h HIS 109 Ca -0.04 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 3ikb h HIS 109 Cb 0.59 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 3ikb h HIS 109 CO 0.00 -0.08 0.23 0.37 0.86 0.00 0.00 177.93 179.31 3ikb h GLN 110 N -0.30 0.89 -0.69 2.45 5.75 -1.84 -0.36 115.11 121.01 3ikb h GLN 110 Ca -0.02 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 3ikb h GLN 110 Cb 0.23 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 3ikb h GLN 110 CO 0.04 0.77 0.45 -1.35 -2.65 0.00 0.00 178.83 176.09 3ikb h PRO 111 N 0.83 0.77 -0.12 -2.39 0.11 -1.84 0.14 132.00 129.50 3ikb h PRO 111 Ca 0.20 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 3ikb h PRO 111 Cb 0.21 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3ikb h PRO 111 CO -0.02 0.51 -0.12 0.82 -0.21 0.00 0.00 178.00 178.98 3ikb h ILE 112 N 0.80 1.35 -0.60 4.15 2.04 -1.40 -3.14 117.51 120.71 3ikb h ILE 112 Ca 0.28 -1.28 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3ikb h ILE 112 Cb 0.11 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3ikb h ILE 112 CO -0.08 0.37 0.40 -0.07 0.00 0.00 0.00 178.15 178.77 3ikb h LEU 113 N -0.09 0.44 -1.94 1.44 3.38 -0.58 0.25 115.31 118.20 3ikb h LEU 113 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ikb h LEU 113 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ikb h LEU 113 CO 0.03 0.28 0.00 0.44 0.09 0.00 0.00 178.44 179.28 3ikb h ASP 114 N 0.49 0.00 -0.60 -0.43 3.32 -0.69 -0.78 116.42 117.73 3ikb h ASP 114 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ikb h ASP 114 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ikb h ASP 114 CO -0.08 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.62 3ikb n LEU 115 N -2.66 4.19 -3.40 1.55 4.77 0.07 -4.65 117.00 116.87 3ikb n LEU 115 Ca -0.01 -2.29 -0.27 0.00 -0.03 0.00 0.00 56.01 53.41 3ikb n LEU 115 Cb 0.10 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 3ikb n LEU 115 CO 0.17 0.84 0.00 0.18 -1.33 0.00 0.00 177.39 177.25 3ikb n LEU 116 N 1.05 3.07 0.26 2.23 4.77 -0.30 -4.70 117.00 123.37 3ikb n LEU 116 Ca 0.23 -5.29 0.17 0.00 -0.03 0.00 0.00 56.01 51.08 3ikb n LEU 116 Cb 0.74 -0.43 0.72 0.00 -2.33 0.00 0.00 43.42 42.12 3ikb n LEU 116 CO 0.19 2.05 0.99 1.55 -1.33 0.00 0.00 177.39 180.83 3ikb h PRO 117 N 4.21 0.00 -0.25 3.23 0.13 -1.79 -3.06 132.00 134.48 3ikb h PRO 117 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3ikb h PRO 117 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3ikb h PRO 117 CO 0.76 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 3ikb n ASP 118 N -2.91 2.23 -4.70 1.44 8.00 -1.25 -4.95 116.55 114.40 3ikb n ASP 118 Ca 0.00 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 3ikb n ASP 118 Cb 0.25 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3ikb n ASP 118 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ikb s ILE 119 N -1.68 2.45 -0.07 0.53 -1.09 -1.07 -4.19 121.20 116.07 3ikb s ILE 119 Ca 0.34 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.93 3ikb s ILE 119 Cb 0.19 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 3ikb s ILE 119 CO 0.27 0.00 0.10 0.00 -1.23 0.00 0.00 174.94 174.09 3ikb n GLN 120 N 4.93 2.58 -3.74 2.79 6.02 0.43 -5.00 117.38 125.40 3ikb n GLN 120 Ca 0.16 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 57.01 3ikb n GLN 120 Cb 0.38 -0.90 -0.11 0.00 1.02 0.00 0.00 30.24 30.63 3ikb n GLN 120 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3ikb s LEU 121 N -2.77 0.46 -0.22 1.08 2.96 -1.12 -4.70 118.68 114.38 3ikb s LEU 121 Ca -0.00 0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3ikb s LEU 121 Cb 0.02 1.16 0.02 0.00 0.50 0.00 0.00 46.19 47.89 3ikb s LEU 121 CO 0.13 -0.14 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.03 3ikb s THR 122 N 0.62 2.66 -0.19 3.68 2.01 -0.29 -1.13 115.64 123.00 3ikb s THR 122 Ca -0.04 -0.94 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 3ikb s THR 122 Cb -0.05 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 3ikb s THR 122 CO -0.04 0.34 0.55 -0.63 -0.69 0.00 0.00 174.62 174.15 3ikb s ILE 123 N 1.33 5.09 -0.40 1.82 1.01 0.52 -1.11 121.20 129.46 3ikb s ILE 123 Ca 0.02 1.03 -0.06 0.00 0.00 0.00 0.00 60.65 61.64 3ikb s ILE 123 Cb -0.15 -3.87 0.08 0.00 0.01 0.00 0.00 42.46 38.53 3ikb s ILE 123 CO -0.07 0.18 0.21 -0.76 0.00 0.00 0.00 174.94 174.49 3ikb s LEU 124 N 1.58 5.01 -0.38 2.97 1.43 -0.37 -0.64 118.68 128.30 3ikb s LEU 124 Ca 0.26 -1.64 -0.13 0.00 -1.03 0.00 0.00 54.13 51.59 3ikb s LEU 124 Cb -0.16 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3ikb s LEU 124 CO 0.10 -0.50 0.25 -0.63 0.23 0.00 0.00 176.35 175.79 3ikb s ILE 125 N 1.31 4.99 0.00 -0.59 1.01 0.60 -1.35 121.20 127.18 3ikb s ILE 125 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3ikb s ILE 125 Cb -0.23 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3ikb s ILE 125 CO -0.00 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.35 3ikb n GLY 126 N 5.08 0.37 0.14 6.18 0.00 -0.92 -4.41 105.19 111.64 3ikb n GLY 126 Ca -0.12 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 3ikb n GLY 126 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ikb h ASN 127 N 0.00 0.38 -0.46 1.61 2.35 -1.94 -2.53 115.58 115.00 3ikb h ASN 127 Ca 0.00 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.38 3ikb h ASN 127 Cb 0.00 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3ikb h ASN 127 CO 0.00 0.68 0.28 1.88 -1.65 0.00 0.00 177.43 178.62 3ikb h TYR 128 N 0.08 0.52 -0.47 1.19 0.05 -1.95 0.66 116.97 117.05 3ikb h TYR 128 Ca 0.05 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3ikb h TYR 128 Cb 0.52 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 3ikb h TYR 128 CO 0.06 0.31 0.22 0.00 -1.05 0.00 0.00 178.16 177.69 3ikb h ALA 129 N 1.20 0.61 -0.12 3.88 0.00 -1.77 -2.51 119.26 120.54 3ikb h ALA 129 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ikb h ALA 129 Cb -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ikb h ALA 129 CO -0.07 0.17 -0.05 1.96 0.00 0.00 0.00 179.25 181.26 3ikb h GLN 130 N 0.62 0.25 -0.58 0.00 4.20 -1.13 -1.22 115.11 117.24 3ikb h GLN 130 Ca 0.16 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3ikb h GLN 130 Cb 0.13 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3ikb h GLN 130 CO -0.02 0.59 0.29 0.87 -0.67 0.00 0.00 178.83 179.88 3ikb h LYS 131 N -0.10 0.81 0.53 1.46 6.56 -0.87 0.12 116.57 125.07 3ikb h LYS 131 Ca 0.03 -0.09 -0.03 0.00 -1.06 0.00 0.00 60.65 59.50 3ikb h LYS 131 Cb 0.51 -0.16 0.01 0.00 -0.57 0.00 0.00 32.23 32.02 3ikb h LYS 131 CO 0.02 0.62 -0.25 -0.92 -2.06 0.00 0.00 179.45 176.85 3ikb h TYR 132 N 0.81 -0.66 0.00 -1.35 3.20 -1.42 -1.44 116.97 116.10 3ikb h TYR 132 Ca 0.20 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3ikb h TYR 132 Cb 0.07 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3ikb h TYR 132 CO 0.01 -0.41 -0.47 1.88 -1.64 0.00 0.00 178.16 177.53 3ikb h TYR 133 N -1.16 0.00 -0.30 -3.82 -1.99 -1.15 -2.43 116.97 106.11 3ikb h TYR 133 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 3ikb h TYR 133 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 3ikb h TYR 133 CO 0.00 0.47 0.00 1.28 -0.00 0.00 0.00 178.16 179.91 3ikb n LEU 134 N -3.73 2.89 -3.92 3.88 4.77 0.02 -4.99 117.00 115.92 3ikb n LEU 134 Ca -0.01 -1.21 -0.38 0.00 -0.03 0.00 0.00 56.01 54.38 3ikb n LEU 134 Cb 0.53 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3ikb n LEU 134 CO 0.39 0.61 -0.16 0.00 -1.33 0.00 0.00 177.39 176.90 3ikb n HIS 135 N 1.13 -1.61 -4.08 -1.77 1.44 -0.92 -4.97 115.22 104.44 3ikb n HIS 135 Ca 0.18 0.32 -0.31 0.00 -2.01 0.00 0.00 57.72 55.90 3ikb n HIS 135 Cb 0.52 -3.14 -0.07 0.00 0.12 0.00 0.00 29.99 27.42 3ikb n HIS 135 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3ikb s GLN 136 N -6.77 2.95 0.68 -1.40 -0.21 -0.59 -5.05 119.66 109.27 3ikb s GLN 136 Ca 0.41 -0.61 -0.15 0.00 0.02 0.00 0.00 55.36 55.02 3ikb s GLN 136 Cb -0.19 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.06 3ikb s GLN 136 CO 0.92 0.60 1.14 0.15 -2.12 0.00 0.00 175.29 175.98 3ikb s LYS 137 N -2.12 2.61 0.53 2.91 1.02 -1.26 -4.79 119.74 118.65 3ikb s LYS 137 Ca 0.27 1.53 0.26 0.00 0.02 0.00 0.00 55.97 58.05 3ikb s LYS 137 Cb -0.12 -1.91 1.50 0.00 -0.52 0.00 0.00 37.83 36.78 3ikb s LYS 137 CO 0.19 -1.42 2.12 0.66 -0.92 0.00 0.00 175.35 175.98 3ikb h SER 138 N 0.00 0.00 0.46 2.83 4.64 -1.99 -2.18 113.55 117.31 3ikb h SER 138 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ikb h SER 138 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ikb h SER 138 CO 0.53 0.08 0.00 0.77 -0.87 0.00 0.00 176.83 177.34 3ikb h SER 139 N 0.00 0.00 -3.54 4.97 4.64 -2.06 -3.44 113.55 114.13 3ikb h SER 139 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3ikb h SER 139 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 3ikb h SER 139 CO 0.01 0.00 0.58 -0.69 -0.87 0.00 0.00 176.83 175.86 3ikb s VAL 140 N -3.74 3.38 -0.10 0.95 1.01 -0.82 -4.98 120.40 116.10 3ikb s VAL 140 Ca -0.01 1.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.91 3ikb s VAL 140 Cb 0.10 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3ikb s VAL 140 CO 0.41 0.21 0.83 -0.54 0.00 0.00 0.00 175.10 176.01 3ikb s LYS 141 N -0.50 4.40 0.26 2.72 -0.14 -1.26 -4.96 119.74 120.25 3ikb s LYS 141 Ca 0.52 1.08 -0.04 0.00 -1.36 0.00 0.00 55.97 56.16 3ikb s LYS 141 Cb -0.34 -3.51 0.50 0.00 -1.68 0.00 0.00 37.83 32.81 3ikb s LYS 141 CO 0.39 -0.14 1.65 1.25 -0.76 0.00 0.00 175.35 177.73 3ikb h LEU 142 N 7.49 -0.21 -0.76 3.17 7.12 -1.95 -0.98 115.31 129.20 3ikb h LEU 142 Ca -0.36 0.19 0.08 0.00 0.13 0.00 0.00 57.88 57.93 3ikb h LEU 142 Cb 1.17 0.30 -0.07 0.00 -0.53 0.00 0.00 40.66 41.53 3ikb h LEU 142 CO 0.79 -0.15 0.42 0.74 -0.13 0.00 0.00 178.44 180.11 3ikb h THR 143 N 0.16 0.91 -0.57 1.05 2.02 -2.00 -1.43 112.91 113.05 3ikb h THR 143 Ca 0.45 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 67.28 3ikb h THR 143 Cb 0.81 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3ikb h THR 143 CO -0.64 0.13 -0.03 -0.78 0.37 0.00 0.00 175.52 174.58 3ikb h ASP 144 N 0.72 1.01 -0.50 4.18 3.58 -1.62 -0.60 116.42 123.20 3ikb h ASP 144 Ca 0.36 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 3ikb h ASP 144 Cb 0.31 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3ikb h ASP 144 CO -0.23 1.09 0.24 0.74 -2.88 0.00 0.00 179.24 178.19 3ikb h THR 145 N 0.91 1.19 -0.42 2.25 2.02 -0.83 -1.61 112.91 116.42 3ikb h THR 145 Ca 0.16 -0.54 -0.13 0.00 0.77 0.00 0.00 66.41 66.66 3ikb h THR 145 Cb 0.58 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3ikb h THR 145 CO 0.03 0.21 -0.27 0.58 0.37 0.00 0.00 175.52 176.45 3ikb h VAL 146 N 0.66 1.27 -0.99 3.16 2.07 -1.09 -2.14 116.25 119.19 3ikb h VAL 146 Ca 0.17 -1.43 0.13 0.00 0.82 0.00 0.00 66.70 66.39 3ikb h VAL 146 Cb 0.12 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3ikb h VAL 146 CO -0.02 0.48 0.62 0.00 0.02 0.00 0.00 177.57 178.67 3ikb h ALA 147 N 0.93 1.58 -0.75 1.67 0.00 -0.94 -2.43 119.26 119.32 3ikb h ALA 147 Ca 0.09 0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.62 3ikb h ALA 147 Cb 0.83 -0.19 -0.23 0.00 0.00 0.00 0.00 17.79 18.20 3ikb h ALA 147 CO 0.07 0.16 0.52 0.72 0.00 0.00 0.00 179.25 180.72 3ikb n HIS 148 N -4.62 2.33 -0.00 0.00 8.25 -0.62 -4.65 115.22 115.91 3ikb n HIS 148 Ca 0.19 -1.66 0.05 0.00 -0.26 0.00 0.00 57.72 56.04 3ikb n HIS 148 Cb 0.39 -0.84 0.44 0.00 1.12 0.00 0.00 29.99 31.09 3ikb n HIS 148 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 3ikb h TYR 149 N 0.90 0.50 -0.24 4.41 -0.00 -1.07 -0.75 116.97 120.72 3ikb h TYR 149 Ca 0.48 0.01 0.07 0.00 0.00 0.00 0.00 58.73 59.29 3ikb h TYR 149 Cb 2.19 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 38.74 3ikb h TYR 149 CO 1.19 0.31 0.18 0.87 -0.00 0.00 0.00 178.16 180.71 3ikb h LYS 150 N 0.53 0.00 0.00 0.10 1.57 -1.86 -2.14 116.57 114.77 3ikb h LYS 150 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3ikb h LYS 150 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3ikb h LYS 150 CO -0.04 0.00 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.52 3ikb h LYS 151 N 0.00 0.00 0.00 3.15 3.64 -1.51 -3.20 116.57 118.65 3ikb h LYS 151 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3ikb h LYS 151 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3ikb h LYS 151 CO -0.00 0.11 -1.46 0.66 -2.27 0.00 0.00 179.45 176.48 3ikb n TYR 152 N -4.20 0.04 -1.75 1.91 4.01 -0.81 -4.93 117.16 111.44 3ikb n TYR 152 Ca -0.03 0.01 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 3ikb n TYR 152 Cb 0.19 -0.29 0.04 0.00 -0.31 0.00 0.00 39.34 38.96 3ikb n TYR 152 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ikb s LEU 153 N -3.83 3.30 0.51 7.72 1.43 -1.10 -1.86 118.68 124.84 3ikb s LEU 153 Ca 0.00 1.76 0.30 0.00 -1.03 0.00 0.00 54.13 55.16 3ikb s LEU 153 Cb 0.15 -4.52 1.12 0.00 0.03 0.00 0.00 46.19 42.96 3ikb s LEU 153 CO 0.88 -1.42 1.89 1.55 0.23 0.00 0.00 176.35 179.49 3ikb h PRO 154 N -0.21 0.00 -0.31 1.29 0.13 -1.91 -3.46 132.00 127.53 3ikb h PRO 154 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 3ikb h PRO 154 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3ikb h PRO 154 CO 0.56 0.05 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.50 3ikb h ASP 155 N 0.00 0.84 -4.22 1.44 3.32 -1.83 -3.43 116.42 112.54 3ikb h ASP 155 Ca -0.00 -0.40 -0.39 0.00 0.02 0.00 0.00 57.03 56.26 3ikb h ASP 155 Cb 0.64 -0.24 -0.26 0.00 0.22 0.00 0.00 39.33 39.69 3ikb h ASP 155 CO 0.01 1.16 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.60 3ikb s TYR 156 N -4.26 0.90 -0.28 4.55 2.02 -0.78 -1.13 117.35 118.37 3ikb s TYR 156 Ca -0.09 -0.26 -0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3ikb s TYR 156 Cb 0.11 -0.56 0.09 0.00 -0.40 0.00 0.00 41.96 41.20 3ikb s TYR 156 CO 0.86 -0.01 0.06 0.12 -1.57 0.00 0.00 175.55 175.01 3ikb s PHE 157 N -0.57 1.90 0.23 2.71 5.99 -0.27 -2.72 117.98 125.25 3ikb s PHE 157 Ca 0.01 -1.71 -0.30 0.00 0.00 0.00 0.00 56.93 54.93 3ikb s PHE 157 Cb -0.06 -1.69 -0.09 0.00 0.00 0.00 0.00 43.02 41.18 3ikb s PHE 157 CO 0.00 -0.82 1.10 -1.25 -0.00 0.00 0.00 175.22 174.25 3ikb s PRO 158 N 1.55 4.62 0.14 10.12 0.04 -1.26 -1.23 135.00 148.98 3ikb s PRO 158 Ca 0.06 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.91 3ikb s PRO 158 Cb -0.18 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 3ikb s PRO 158 CO -0.18 0.14 -0.11 -0.51 0.04 0.00 0.00 177.00 176.39 3ikb s LEU 159 N -0.91 2.50 0.66 -3.56 1.43 -0.46 -4.72 118.68 113.62 3ikb s LEU 159 Ca 0.47 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 3ikb s LEU 159 Cb -0.31 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 3ikb s LEU 159 CO 0.38 -0.29 1.05 0.68 0.23 0.00 0.00 176.35 178.40 3ikb s VAL 160 N -3.02 4.25 0.51 -1.59 -7.23 -1.26 -2.16 120.40 109.89 3ikb s VAL 160 Ca 0.14 0.73 -0.21 0.00 -1.81 0.00 0.00 61.98 60.83 3ikb s VAL 160 Cb 0.01 -3.67 -0.06 0.00 0.56 0.00 0.00 36.38 33.22 3ikb s VAL 160 CO 0.01 -0.95 1.19 -1.00 -0.31 0.00 0.00 175.10 174.04 3ikb s HIS 161 N -3.20 2.69 -0.13 2.82 0.09 -1.26 -4.71 115.29 111.59 3ikb s HIS 161 Ca 0.56 1.51 -0.00 0.00 -0.00 0.00 0.00 55.06 57.14 3ikb s HIS 161 Cb -0.12 -3.43 0.11 0.00 -0.00 0.00 0.00 32.58 29.14 3ikb s HIS 161 CO 0.54 -1.80 1.79 -0.35 -0.00 0.00 0.00 174.74 174.92 3ikb n PRO 162 N -0.88 1.33 -1.00 8.40 -0.04 -1.26 -4.79 135.00 136.77 3ikb n PRO 162 Ca 0.09 -0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 62.58 3ikb n PRO 162 Cb 0.48 -1.27 0.22 0.00 -0.04 0.00 0.00 33.50 32.90 3ikb n PRO 162 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ikb s SER 163 N 1.00 1.47 0.17 3.54 1.04 -1.26 -4.63 113.70 115.03 3ikb s SER 163 Ca 0.13 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.51 3ikb s SER 163 Cb 0.11 -1.50 0.05 0.00 0.10 0.00 0.00 66.02 64.78 3ikb s SER 163 CO 0.00 -3.82 1.46 -0.65 0.98 0.00 0.00 173.24 171.21 3ikb h PRO 164 N -2.37 0.57 0.00 4.02 0.11 -2.03 -2.57 132.00 129.73 3ikb h PRO 164 Ca -0.52 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.20 3ikb h PRO 164 Cb 1.32 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3ikb h PRO 164 CO 0.47 1.01 0.00 -0.09 -0.21 0.00 0.00 178.00 179.18 3ikb h ARG 165 N 0.42 0.00 -0.00 1.05 2.43 -1.96 -2.81 114.38 113.51 3ikb h ARG 165 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ikb h ARG 165 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ikb h ARG 165 CO 0.12 0.00 -0.08 0.09 -1.51 0.00 0.00 179.97 178.59 3ikb n ASN 166 N -2.45 0.52 0.00 -3.80 3.02 -0.97 -3.40 115.26 108.18 3ikb n ASN 166 Ca 0.01 -0.74 -0.12 0.00 -0.03 0.00 0.00 54.58 53.70 3ikb n ASN 166 Cb 0.22 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 3ikb n ASN 166 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3ikb h GLN 167 N 0.69 0.03 -0.75 3.52 5.75 -1.62 -2.99 115.11 119.74 3ikb h GLN 167 Ca 0.00 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3ikb h GLN 167 Cb 0.32 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3ikb h GLN 167 CO 0.00 0.31 0.27 0.82 -2.65 0.00 0.00 178.83 177.58 3ikb h ILE 168 N -0.24 1.26 0.00 2.39 1.08 -1.79 -2.55 117.51 117.66 3ikb h ILE 168 Ca 0.01 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 3ikb h ILE 168 Cb 0.29 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 3ikb h ILE 168 CO 0.00 0.34 0.00 1.87 -0.69 0.00 0.00 178.15 179.67 3ikb n TRP 169 N -4.29 0.00 0.00 1.37 -0.00 -1.13 -1.33 117.44 112.05 3ikb n TRP 169 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 3ikb n TRP 169 Cb 0.20 -0.05 0.00 0.00 -0.00 0.00 0.00 31.31 31.46 3ikb n TRP 169 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3ikb n SER 171 N 0.73 0.00 0.00 5.87 2.88 -0.96 -1.42 113.62 120.72 3ikb n SER 171 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3ikb n SER 171 Cb 0.00 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.07 3ikb n SER 171 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3ikb n ARG 172 N 0.00 0.01 -3.20 -1.46 1.74 -0.44 -4.08 116.66 109.22 3ikb n ARG 172 Ca 0.00 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 3ikb n ARG 172 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 3ikb n ARG 172 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3ikb n HIS 173 N -1.50 0.69 0.30 -1.55 8.25 -0.51 -4.97 115.22 115.93 3ikb n HIS 173 Ca 0.07 -3.75 0.17 0.00 -0.26 0.00 0.00 57.72 53.95 3ikb n HIS 173 Cb 0.33 -0.41 0.80 0.00 1.12 0.00 0.00 29.99 31.83 3ikb n HIS 173 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ikb h PRO 174 N 3.64 0.00 -0.06 -0.41 0.13 -1.86 -0.60 132.00 132.84 3ikb h PRO 174 Ca 0.10 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.25 3ikb h PRO 174 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3ikb h PRO 174 CO 0.55 0.00 0.12 0.11 -0.23 0.00 0.00 178.00 178.55 3ikb h TRP 175 N 0.00 0.00 0.45 1.56 5.08 -1.95 -1.10 115.95 119.99 3ikb h TRP 175 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 3ikb h TRP 175 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.43 3ikb h TRP 175 CO 0.00 0.00 -0.22 0.35 -1.28 0.00 0.00 178.44 177.29 3ikb h PHE 176 N 0.00 -0.56 0.00 0.12 3.57 -1.51 0.18 116.94 118.74 3ikb h PHE 176 Ca 0.03 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3ikb h PHE 176 Cb 0.26 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3ikb h PHE 176 CO 0.00 -0.24 -0.43 0.93 -2.23 0.00 0.00 178.31 176.34 3ikb h GLU 177 N -0.95 0.00 0.00 1.11 5.08 -1.73 -0.23 114.58 117.86 3ikb h GLU 177 Ca -0.06 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 3ikb h GLU 177 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3ikb h GLU 177 CO 0.10 0.43 -1.02 0.00 -1.00 0.00 0.00 179.01 177.52 3ikb h ALA 178 N 1.57 0.56 0.00 3.43 0.00 -1.15 -3.40 119.26 120.27 3ikb h ALA 178 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3ikb h ALA 178 Cb 0.91 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ikb h ALA 178 CO 0.06 1.07 -0.42 1.04 0.00 0.00 0.00 179.25 180.99 3ikb n GLN 179 N -3.20 0.00 0.11 0.00 6.02 -0.01 -4.75 117.38 115.56 3ikb n GLN 179 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 3ikb n GLN 179 Cb 0.88 -0.29 -0.08 0.00 1.02 0.00 0.00 30.24 31.77 3ikb n GLN 179 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3ikb h VAL 180 N 0.00 0.85 -0.69 5.09 2.07 -0.75 -2.78 116.25 120.05 3ikb h VAL 180 Ca 0.00 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3ikb h VAL 180 Cb 0.42 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3ikb h VAL 180 CO 0.00 0.15 0.34 0.58 0.02 0.00 0.00 177.57 178.66 3ikb h VAL 181 N -0.67 1.23 -0.21 2.57 2.07 -1.29 -1.19 116.25 118.76 3ikb h VAL 181 Ca -0.03 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3ikb h VAL 181 Cb 0.47 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3ikb h VAL 181 CO 0.05 0.26 0.06 -0.65 0.02 0.00 0.00 177.57 177.31 3ikb h PRO 182 N 0.95 0.29 -0.32 1.57 0.11 -1.76 -0.27 132.00 132.57 3ikb h PRO 182 Ca 0.24 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 3ikb h PRO 182 Cb 0.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3ikb h PRO 182 CO -0.03 0.26 -0.23 0.22 -0.21 0.00 0.00 178.00 178.01 3ikb h ASP 183 N 0.29 0.76 -0.56 -2.05 3.58 -1.10 -2.13 116.42 115.21 3ikb h ASP 183 Ca 0.07 -0.44 0.07 0.00 0.42 0.00 0.00 57.03 57.15 3ikb h ASP 183 Cb 0.10 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 40.88 3ikb h ASP 183 CO -0.00 1.04 0.23 0.25 -2.88 0.00 0.00 179.24 177.87 3ikb h LEU 184 N 0.49 0.27 -0.51 2.28 5.85 -0.76 0.10 115.31 123.03 3ikb h LEU 184 Ca 0.06 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3ikb h LEU 184 Cb 0.79 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3ikb h LEU 184 CO 0.06 0.18 0.29 0.11 -0.34 0.00 0.00 178.44 178.74 3ikb h LYS 185 N 0.44 0.70 -0.20 1.25 1.57 -0.93 -1.74 116.57 117.66 3ikb h LYS 185 Ca 0.27 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3ikb h LYS 185 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ikb h LYS 185 CO -0.24 0.54 0.07 -0.22 -0.57 0.00 0.00 179.45 179.02 3ikb h LYS 186 N 0.68 0.31 -0.39 3.15 3.64 -0.77 -1.18 116.57 122.02 3ikb h LYS 186 Ca 0.18 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3ikb h LYS 186 Cb 0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3ikb h LYS 186 CO -0.03 0.40 0.19 0.82 -2.27 0.00 0.00 179.45 178.56 3ikb h ILE 187 N 0.16 1.17 -0.54 2.00 2.04 -0.90 -1.77 117.51 119.67 3ikb h ILE 187 Ca 0.07 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3ikb h ILE 187 Cb 0.22 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3ikb h ILE 187 CO -0.00 0.18 0.29 0.40 0.00 0.00 0.00 178.15 179.02 3ikb h ILE 188 N 0.48 1.18 -0.70 -0.67 2.04 -1.19 -1.94 117.51 116.72 3ikb h ILE 188 Ca 0.13 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3ikb h ILE 188 Cb 0.12 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3ikb h ILE 188 CO -0.02 0.20 0.37 1.56 0.00 0.00 0.00 178.15 180.26 3ikb h GLN 189 N 0.72 0.97 -0.71 2.37 1.08 -1.03 -0.05 115.11 118.47 3ikb h GLN 189 Ca 0.19 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3ikb h GLN 189 Cb 0.05 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 3ikb h GLN 189 CO -0.03 0.72 0.40 1.96 -0.95 0.00 0.00 178.83 180.93 3ikb h GLN 190 N 0.98 0.98 -0.19 1.46 4.20 -0.93 -1.65 115.11 119.95 3ikb h GLN 190 Ca 0.25 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 3ikb h GLN 190 Cb 0.04 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 3ikb h GLN 190 CO -0.04 0.72 -0.19 0.82 -0.67 0.00 0.00 178.83 179.47 3ikb h ILE 191 N 0.97 1.33 0.00 2.54 2.04 -0.80 -2.49 117.51 121.10 3ikb h ILE 191 Ca 0.25 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3ikb h ILE 191 Cb 0.02 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3ikb h ILE 191 CO -0.04 0.41 -0.50 0.16 0.00 0.00 0.00 178.15 178.17 3ikb h ILE 192 N 0.12 0.00 0.00 -0.67 3.07 -0.92 -2.98 117.51 116.13 3ikb h ILE 192 Ca 0.03 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.74 3ikb h ILE 192 Cb 0.74 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3ikb h ILE 192 CO 0.05 0.00 -0.97 0.00 -1.05 0.00 0.00 178.15 176.18 3ikb n GLN 193 N -2.45 0.24 0.00 0.16 10.64 -0.63 -3.91 117.38 121.44 3ikb n GLN 193 Ca 0.03 -0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.21 3ikb n GLN 193 Cb 0.48 -1.58 0.04 0.00 -0.86 0.00 0.00 30.24 28.32 3ikb n GLN 193 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3ikb n SER 194 N -1.90 0.00 0.00 2.61 3.41 -0.94 -5.07 113.62 111.73 3ikb n SER 194 Ca 0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ikb n SER 194 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3ikb n SER 194 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64