#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nk1 n ILE 39 N 0.00 0.82 0.64 1.09 3.06 -1.26 -2.59 119.36 121.12 1nk1 n ILE 39 Ca 0.00 0.23 0.11 0.00 -2.50 0.00 0.00 62.75 60.59 1nk1 n ILE 39 Cb 0.00 -1.16 0.45 0.00 0.54 0.00 0.00 39.64 39.46 1nk1 n ILE 39 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nk1 n HIS 40 N -2.26 0.30 -0.49 9.51 1.44 -1.26 -3.07 115.22 119.40 1nk1 n HIS 40 Ca 0.02 0.11 -0.05 0.00 -2.01 0.00 0.00 57.72 55.78 1nk1 n HIS 40 Cb 0.23 -0.67 0.22 0.00 0.12 0.00 0.00 29.99 29.89 1nk1 n HIS 40 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1nk1 n GLU 41 N -1.76 2.94 -4.83 -1.40 0.28 -1.07 -4.86 120.64 109.94 1nk1 n GLU 41 Ca 0.04 -2.24 -0.25 0.00 -0.16 0.00 0.00 57.16 54.56 1nk1 n GLU 41 Cb 0.27 -1.96 -0.15 0.00 1.43 0.00 0.00 31.44 31.02 1nk1 n GLU 41 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1nk1 s PHE 42 N -2.33 1.59 -0.08 -1.84 0.40 -1.17 -3.51 117.98 111.03 1nk1 s PHE 42 Ca 0.40 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 56.14 1nk1 s PHE 42 Cb 0.32 -1.02 -0.02 0.00 0.51 0.00 0.00 43.02 42.82 1nk1 s PHE 42 CO 0.10 -0.02 0.98 0.21 0.70 0.00 0.00 175.22 177.19 1nk1 s LYS 43 N -0.46 4.45 -0.13 0.44 2.20 -0.27 -4.77 119.74 121.19 1nk1 s LYS 43 Ca 0.07 1.36 -0.08 0.00 -0.36 0.00 0.00 55.97 56.96 1nk1 s LYS 43 Cb -0.07 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1nk1 s LYS 43 CO -0.01 -0.24 0.15 0.21 -0.36 0.00 0.00 175.35 175.10 1nk1 s LYS 44 N 1.76 3.60 -0.43 4.03 2.20 -1.26 -1.25 119.74 128.40 1nk1 s LYS 44 Ca 0.48 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 1nk1 s LYS 44 Cb -0.19 -3.24 0.13 0.00 -1.51 0.00 0.00 37.83 33.03 1nk1 s LYS 44 CO 0.20 0.68 0.22 -1.12 -0.36 0.00 0.00 175.35 174.97 1nk1 s SER 45 N -0.76 3.73 0.90 1.43 0.01 0.47 -4.98 113.70 114.50 1nk1 s SER 45 Ca 0.14 -2.53 -0.14 0.00 1.31 0.00 0.00 55.95 54.73 1nk1 s SER 45 Cb -0.12 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.05 1nk1 s SER 45 CO 0.03 -0.28 0.23 0.00 0.41 0.00 0.00 173.24 173.63 1nk1 n ALA 46 N 3.68 -2.82 -3.69 1.44 0.00 -1.26 -2.03 120.51 115.83 1nk1 n ALA 46 Ca 0.07 -0.52 -0.27 0.00 0.00 0.00 0.00 53.44 52.72 1nk1 n ALA 46 Cb 0.35 -1.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1nk1 n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nk1 n LYS 47 N -0.73 -2.65 -4.05 0.00 5.02 -0.23 -4.80 118.16 110.72 1nk1 n LYS 47 Ca 0.06 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1nk1 n LYS 47 Cb 0.53 -4.96 -0.12 0.00 -0.02 0.00 0.00 35.03 30.46 1nk1 n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1nk1 s THR 48 N -2.94 0.43 0.28 -0.18 2.01 -1.05 -2.19 115.64 112.00 1nk1 s THR 48 Ca 0.52 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1nk1 s THR 48 Cb -0.29 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1nk1 s THR 48 CO 0.63 -0.36 0.30 0.28 -0.69 0.00 0.00 174.62 174.79 1nk1 s THR 49 N -1.27 0.00 -0.04 -0.82 -1.32 -0.65 -2.79 115.64 108.76 1nk1 s THR 49 Ca -0.10 -1.82 0.05 0.00 -1.21 0.00 0.00 61.69 58.60 1nk1 s THR 49 Cb -0.09 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.40 1nk1 s THR 49 CO 0.00 0.00 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.47 1nk1 s LEU 50 N -3.22 1.96 -0.22 9.08 1.43 -1.26 -0.80 118.68 125.65 1nk1 s LEU 50 Ca 0.35 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1nk1 s LEU 50 Cb 0.03 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1nk1 s LEU 50 CO 0.18 0.18 -0.09 -0.63 0.23 0.00 0.00 176.35 176.21 1nk1 s ILE 51 N -0.11 2.82 1.02 -0.59 1.01 0.56 -4.94 121.20 120.97 1nk1 s ILE 51 Ca -0.01 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1nk1 s ILE 51 Cb -0.10 -2.31 0.20 0.00 0.01 0.00 0.00 42.46 40.25 1nk1 s ILE 51 CO 0.01 0.38 1.08 -1.59 0.00 0.00 0.00 174.94 174.82 1nk1 s LYS 52 N 1.37 0.29 0.00 2.79 -2.85 -1.26 -1.11 119.74 118.97 1nk1 s LYS 52 Ca 0.04 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 1nk1 s LYS 52 Cb -0.15 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 1nk1 s LYS 52 CO -0.07 -2.87 0.00 0.44 0.10 0.00 0.00 175.35 172.96 1nk1 n ILE 53 N -4.30 0.00 -2.39 3.79 -5.35 -0.52 -4.79 119.36 105.80 1nk1 n ILE 53 Ca 0.05 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.12 1nk1 n ILE 53 Cb 0.56 -0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 1nk1 n ILE 53 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1nk1 s ASP 54 N -2.97 7.08 0.10 7.28 -1.08 -1.22 -4.95 116.67 120.92 1nk1 s ASP 54 Ca 0.00 2.17 0.05 0.00 -0.52 0.00 0.00 52.55 54.25 1nk1 s ASP 54 Cb 0.00 -2.60 -0.22 0.00 -1.46 0.00 0.00 42.92 38.64 1nk1 s ASP 54 CO 0.00 -0.40 1.22 1.55 0.52 0.00 0.00 175.17 178.06 1nk1 h PRO 55 N 5.73 0.05 0.07 4.34 0.14 -1.95 -3.36 132.00 137.02 1nk1 h PRO 55 Ca -0.44 -0.09 -0.00 0.00 0.14 0.00 0.00 66.00 65.61 1nk1 h PRO 55 Cb 1.21 0.03 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1nk1 h PRO 55 CO 0.77 1.02 -0.04 0.00 0.14 0.00 0.00 178.00 179.89 1nk1 h ALA 56 N 0.92 -0.88 0.00 -0.56 0.00 -2.03 -3.42 119.26 113.29 1nk1 h ALA 56 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1nk1 h ALA 56 Cb 1.82 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1nk1 h ALA 56 CO 0.14 -0.87 0.27 -0.11 0.00 0.00 0.00 179.25 178.68 1nk1 n LEU 57 N -2.30 0.11 -4.95 0.00 7.94 -1.26 -4.80 117.00 111.74 1nk1 n LEU 57 Ca -0.01 0.10 -0.24 0.00 -1.11 0.00 0.00 56.01 54.74 1nk1 n LEU 57 Cb 0.04 -0.17 -0.02 0.00 0.53 0.00 0.00 43.42 43.80 1nk1 n LEU 57 CO 0.03 -0.14 0.05 -1.59 -1.11 0.00 0.00 177.39 174.63 1nk1 s LYS 58 N 1.28 3.48 0.36 1.96 -2.85 -1.26 -4.97 119.74 117.75 1nk1 s LYS 58 Ca 0.23 -0.47 0.03 0.00 -1.00 0.00 0.00 55.97 54.76 1nk1 s LYS 58 Cb -0.26 -2.80 -0.04 0.00 -2.06 0.00 0.00 37.83 32.67 1nk1 s LYS 58 CO 0.11 0.33 0.10 0.42 0.10 0.00 0.00 175.35 176.41 1nk1 s ILE 59 N -2.05 0.81 -0.18 3.79 1.01 -1.26 -4.14 121.20 119.18 1nk1 s ILE 59 Ca 0.37 -2.00 -0.11 0.00 0.00 0.00 0.00 60.65 58.92 1nk1 s ILE 59 Cb -0.10 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.88 1nk1 s ILE 59 CO 0.31 0.00 0.43 -0.75 0.00 0.00 0.00 174.94 174.94 1nk1 s LYS 60 N -3.82 0.43 0.20 2.79 2.47 -1.18 -5.04 119.74 115.59 1nk1 s LYS 60 Ca 0.30 0.79 0.05 0.00 -1.56 0.00 0.00 55.97 55.55 1nk1 s LYS 60 Cb 0.06 0.03 -0.05 0.00 -1.46 0.00 0.00 37.83 36.41 1nk1 s LYS 60 CO 0.15 -0.14 -0.08 0.95 0.16 0.00 0.00 175.35 176.38 1nk1 s THR 61 N 1.21 1.34 -0.28 3.43 -4.23 -1.26 -1.68 115.64 114.17 1nk1 s THR 61 Ca -0.08 -2.10 -0.24 0.00 -1.18 0.00 0.00 61.69 58.09 1nk1 s THR 61 Cb -0.07 -2.09 0.12 0.00 1.34 0.00 0.00 72.50 71.80 1nk1 s THR 61 CO -0.11 -0.55 1.02 -0.75 -0.54 0.00 0.00 174.62 173.69 1nk1 s LYS 62 N -3.75 0.51 0.65 3.99 2.20 -0.88 -5.00 119.74 117.46 1nk1 s LYS 62 Ca 0.23 0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 56.29 1nk1 s LYS 62 Cb 0.03 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1nk1 s LYS 62 CO 0.05 -0.06 1.15 0.21 -0.36 0.00 0.00 175.35 176.34 1nk1 s LYS 63 N 0.30 2.75 0.35 4.03 2.20 -1.26 -1.04 119.74 127.07 1nk1 s LYS 63 Ca 0.02 1.59 -0.09 0.00 -0.36 0.00 0.00 55.97 57.13 1nk1 s LYS 63 Cb -0.05 -1.93 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1nk1 s LYS 63 CO -0.07 -1.33 0.61 0.08 -0.36 0.00 0.00 175.35 174.28 1nk1 s VAL 64 N -2.04 0.00 -0.16 4.02 1.01 0.19 -4.82 120.40 118.61 1nk1 s VAL 64 Ca 0.71 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1nk1 s VAL 64 Cb -0.25 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1nk1 s VAL 64 CO 0.39 0.00 -0.21 -3.20 0.00 0.00 0.00 175.10 172.07 1nk1 n ASN 65 N -1.29 1.85 -4.50 3.32 5.15 -1.26 -4.57 115.26 113.96 1nk1 n ASN 65 Ca -0.03 0.54 -0.25 0.00 -0.60 0.00 0.00 54.58 54.24 1nk1 n ASN 65 Cb 0.61 -0.84 -0.10 0.00 -0.53 0.00 0.00 39.78 38.92 1nk1 n ASN 65 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1nk1 s THR 66 N -2.44 2.27 0.34 -0.44 -4.23 -1.26 -4.92 115.64 104.95 1nk1 s THR 66 Ca -0.20 -2.28 0.11 0.00 -1.18 0.00 0.00 61.69 58.15 1nk1 s THR 66 Cb 0.03 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.45 1nk1 s THR 66 CO 0.30 -0.30 1.75 0.00 -0.54 0.00 0.00 174.62 175.83 1nk1 h ALA 67 N 2.16 1.24 -0.91 3.99 0.00 -1.96 -2.24 119.26 121.54 1nk1 h ALA 67 Ca -0.41 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.18 1nk1 h ALA 67 Cb 1.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1nk1 h ALA 67 CO 0.66 0.56 0.59 -0.44 0.00 0.00 0.00 179.25 180.62 1nk1 h ASP 68 N 0.02 0.86 -0.69 0.00 5.19 -2.00 -1.11 116.42 118.70 1nk1 h ASP 68 Ca -0.00 0.02 0.10 0.00 -0.62 0.00 0.00 57.03 56.53 1nk1 h ASP 68 Cb 0.79 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.10 1nk1 h ASP 68 CO 0.06 0.53 0.46 1.56 -3.12 0.00 0.00 179.24 178.72 1nk1 h GLN 69 N 0.96 0.53 -0.21 3.56 4.20 -1.82 -1.43 115.11 120.91 1nk1 h GLN 69 Ca 0.41 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.90 1nk1 h GLN 69 Cb 0.31 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1nk1 h GLN 69 CO -0.17 0.35 -0.61 0.00 -0.67 0.00 0.00 178.83 177.74 1nk1 h ALA 71 N 0.80 -0.68 -0.30 0.00 0.00 -1.09 -0.96 119.26 117.03 1nk1 h ALA 71 Ca -0.00 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nk1 h ALA 71 Cb 1.19 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1nk1 h ALA 71 CO 0.12 -0.89 -0.26 -0.97 0.00 0.00 0.00 179.25 177.26 1nk1 h ASN 72 N -0.68 -0.84 -0.93 0.00 -0.73 -1.52 0.30 115.58 111.17 1nk1 h ASN 72 Ca -0.06 0.16 0.05 0.00 1.87 0.00 0.00 56.30 58.31 1nk1 h ASN 72 Cb 0.54 0.40 -0.06 0.00 0.27 0.00 0.00 38.32 39.47 1nk1 h ASN 72 CO 0.09 -0.29 0.61 -0.09 -0.37 0.00 0.00 177.43 177.38 1nk1 h ARG 73 N -0.24 1.10 0.68 6.67 2.43 -1.54 -0.89 114.38 122.59 1nk1 h ARG 73 Ca 0.15 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1nk1 h ARG 73 Cb 0.48 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1nk1 h ARG 73 CO -0.44 0.73 -0.33 0.00 -1.51 0.00 0.00 179.97 178.42 1nk1 h THR 75 N -1.20 0.03 -0.63 0.00 2.02 -0.27 0.26 112.91 113.13 1nk1 h THR 75 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1nk1 h THR 75 Cb 0.70 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1nk1 h THR 75 CO 0.15 0.00 0.40 0.08 0.37 0.00 0.00 175.52 176.53 1nk1 h ARG 76 N -0.32 0.83 -5.78 6.66 0.11 -1.24 -3.46 114.38 111.18 1nk1 h ARG 76 Ca 0.11 -0.06 -0.36 0.00 0.10 0.00 0.00 59.98 59.78 1nk1 h ARG 76 Cb 0.57 -0.18 0.14 0.00 1.11 0.00 0.00 29.97 31.61 1nk1 h ARG 76 CO -0.64 0.56 -0.79 -1.71 0.10 0.00 0.00 179.97 177.49 1nk1 n ASN 77 N -4.43 -1.86 -0.01 0.08 2.85 0.48 -4.94 115.26 107.43 1nk1 n ASN 77 Ca 0.06 -0.68 -0.22 0.00 -0.11 0.00 0.00 54.58 53.64 1nk1 n ASN 77 Cb 0.05 -4.82 -0.13 0.00 1.24 0.00 0.00 39.78 36.12 1nk1 n ASN 77 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1nk1 h LYS 78 N -1.90 0.22 -1.21 1.20 3.64 -1.84 -3.40 116.57 113.28 1nk1 h LYS 78 Ca -0.60 -0.37 -0.61 0.00 -1.27 0.00 0.00 60.65 57.80 1nk1 h LYS 78 Cb 1.35 0.14 -0.38 0.00 -0.41 0.00 0.00 32.23 32.92 1nk1 h LYS 78 CO 0.52 1.18 -0.28 0.41 -2.27 0.00 0.00 179.45 179.01 1nk1 n GLY 79 N 1.81 6.08 3.05 5.01 0.00 -1.26 -5.00 105.19 114.87 1nk1 n GLY 79 Ca -0.30 -2.62 -0.24 0.00 0.00 0.00 0.00 46.02 42.86 1nk1 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nk1 s LEU 80 N -3.68 1.75 0.00 0.99 1.43 -1.26 -5.03 118.68 112.88 1nk1 s LEU 80 Ca 0.52 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1nk1 s LEU 80 Cb 0.43 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1nk1 s LEU 80 CO -0.10 0.07 1.01 -0.81 0.23 0.00 0.00 176.35 176.75 1nk1 n PRO 81 N 3.50 0.98 -3.12 1.29 -0.04 -1.26 -4.82 135.00 131.53 1nk1 n PRO 81 Ca -0.20 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.22 1nk1 n PRO 81 Cb 0.53 -1.01 0.02 0.00 -0.04 0.00 0.00 33.50 32.99 1nk1 n PRO 81 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1nk1 n PHE 82 N 0.54 -1.43 -3.22 0.54 1.16 -1.26 -5.13 117.46 108.67 1nk1 n PHE 82 Ca 0.00 -1.06 -0.41 0.00 -1.87 0.00 0.00 57.45 54.11 1nk1 n PHE 82 Cb 0.49 0.52 -0.08 0.00 -1.61 0.00 0.00 39.48 38.81 1nk1 n PHE 82 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1nk1 s THR 83 N -2.25 5.01 -0.16 1.97 2.01 -1.26 -5.02 115.64 115.94 1nk1 s THR 83 Ca 0.15 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 1nk1 s THR 83 Cb -0.03 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1nk1 s THR 83 CO 0.06 -0.15 1.37 0.00 -0.69 0.00 0.00 174.62 175.21 1nk1 n LYS 85 N 6.85 0.57 -3.80 0.00 5.02 -0.19 -4.90 118.16 121.71 1nk1 n LYS 85 Ca 0.15 -0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1nk1 n LYS 85 Cb 0.45 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1nk1 n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nk1 s ALA 86 N -2.50 -1.48 -0.14 7.82 0.00 -1.04 1.00 121.76 125.41 1nk1 s ALA 86 Ca -0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 1nk1 s ALA 86 Cb 0.05 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.96 1nk1 s ALA 86 CO 0.32 -1.04 0.80 -0.59 0.00 0.00 0.00 175.76 175.25 1nk1 s PHE 87 N -3.31 -0.60 0.02 0.00 -0.12 -0.37 0.24 117.98 113.84 1nk1 s PHE 87 Ca 0.13 1.18 0.04 0.00 -0.05 0.00 0.00 56.93 58.23 1nk1 s PHE 87 Cb -0.03 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1nk1 s PHE 87 CO 0.04 -0.46 -0.09 0.08 -0.05 0.00 0.00 175.22 174.74 1nk1 s VAL 88 N -0.71 3.47 -0.27 -2.49 1.01 0.06 -1.42 120.40 120.05 1nk1 s VAL 88 Ca -0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1nk1 s VAL 88 Cb -0.02 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1nk1 s VAL 88 CO 0.05 0.36 -0.03 0.12 0.00 0.00 0.00 175.10 175.60 1nk1 s PHE 89 N -1.00 3.16 -1.18 5.22 5.36 -0.42 -1.41 117.98 127.72 1nk1 s PHE 89 Ca 0.17 -1.72 -0.20 0.00 -0.96 0.00 0.00 56.93 54.22 1nk1 s PHE 89 Cb -0.11 -2.08 0.06 0.00 -0.34 0.00 0.00 43.02 40.55 1nk1 s PHE 89 CO 0.08 -0.77 1.63 0.34 -1.46 0.00 0.00 175.22 175.04 1nk1 s ASP 90 N 1.29 6.65 0.48 6.13 -1.08 0.39 -2.88 116.67 127.64 1nk1 s ASP 90 Ca -0.03 -2.01 0.31 0.00 -0.52 0.00 0.00 52.55 50.31 1nk1 s ASP 90 Cb -0.18 -2.58 1.40 0.00 -1.46 0.00 0.00 42.92 40.11 1nk1 s ASP 90 CO -0.03 -1.36 1.73 0.11 0.52 0.00 0.00 175.17 176.14 1nk1 h LYS 91 N 8.56 0.14 0.00 4.34 1.57 -0.39 0.76 116.57 131.54 1nk1 h LYS 91 Ca 0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1nk1 h LYS 91 Cb 0.93 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1nk1 h LYS 91 CO 1.44 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 180.41 1nk1 n ALA 92 N -2.64 -0.38 0.87 3.86 0.00 -1.25 -3.17 120.51 117.80 1nk1 n ALA 92 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.74 1nk1 n ALA 92 Cb 1.25 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.72 1nk1 n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nk1 n ARG 93 N -1.93 1.22 -3.35 0.00 1.74 -0.91 -4.88 116.66 108.55 1nk1 n ARG 93 Ca 0.00 -0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 56.74 1nk1 n ARG 93 Cb 0.00 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1nk1 n ARG 93 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nk1 n LYS 94 N 0.12 -0.92 -4.30 5.56 5.02 0.26 -4.73 118.16 119.17 1nk1 n LYS 94 Ca 0.02 -0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 56.03 1nk1 n LYS 94 Cb 0.37 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 34.20 1nk1 n LYS 94 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1nk1 s GLN 95 N -4.98 2.27 -0.11 1.97 0.74 -0.91 -0.63 119.66 118.01 1nk1 s GLN 95 Ca 0.05 -1.42 0.02 0.00 0.05 0.00 0.00 55.36 54.05 1nk1 s GLN 95 Cb -0.03 -2.15 -0.01 0.00 1.10 0.00 0.00 33.01 31.93 1nk1 s GLN 95 CO 0.38 0.37 -0.17 0.00 -0.55 0.00 0.00 175.29 175.31 1nk1 s LEU 97 N 0.21 3.84 -0.15 0.00 1.43 -0.50 -2.07 118.68 121.44 1nk1 s LEU 97 Ca -0.11 -1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 51.00 1nk1 s LEU 97 Cb -0.16 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1nk1 s LEU 97 CO 0.06 -0.33 0.56 0.26 0.23 0.00 0.00 176.35 177.14 1nk1 s TRP 98 N 1.11 3.45 -0.06 0.29 0.51 -0.67 -0.76 118.94 122.81 1nk1 s TRP 98 Ca 0.04 0.92 0.04 0.00 -2.12 0.00 0.00 56.10 54.99 1nk1 s TRP 98 Cb -0.19 -2.68 -0.02 0.00 -0.81 0.00 0.00 33.47 29.77 1nk1 s TRP 98 CO -0.09 -0.00 -0.18 -0.06 -0.51 0.00 0.00 176.95 176.11 1nk1 s PHE 99 N 1.25 2.62 -0.42 -1.98 0.08 0.14 -3.12 117.98 116.55 1nk1 s PHE 99 Ca 0.28 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1nk1 s PHE 99 Cb -0.16 -1.64 0.11 0.00 -0.57 0.00 0.00 43.02 40.76 1nk1 s PHE 99 CO 0.11 0.03 0.94 -0.35 -0.10 0.00 0.00 175.22 175.85 1nk1 n PRO 100 N 2.62 1.36 -3.69 0.24 -0.04 -1.26 -1.03 135.00 133.20 1nk1 n PRO 100 Ca -0.17 -0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 62.74 1nk1 n PRO 100 Cb 0.52 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1nk1 n PRO 100 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1nk1 s PHE 101 N -0.82 -0.31 0.28 0.54 -0.12 -1.26 -4.72 117.98 111.57 1nk1 s PHE 101 Ca 0.08 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 1nk1 s PHE 101 Cb 0.07 0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 43.09 1nk1 s PHE 101 CO 0.02 -1.08 0.01 0.27 -0.05 0.00 0.00 175.22 174.39 1nk1 n ASN 102 N -0.42 2.63 0.00 1.98 0.23 -1.26 -3.90 115.26 114.52 1nk1 n ASN 102 Ca -0.09 -2.26 0.02 0.00 -0.53 0.00 0.00 54.58 51.71 1nk1 n ASN 102 Cb 0.61 0.24 0.08 0.00 -2.08 0.00 0.00 39.78 38.64 1nk1 n ASN 102 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1nk1 n SER 103 N -1.23 0.00 -0.21 0.53 3.41 -1.26 -1.46 113.62 113.40 1nk1 n SER 103 Ca -0.11 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 58.92 1nk1 n SER 103 Cb 0.36 -0.36 0.16 0.00 -0.26 0.00 0.00 64.21 64.12 1nk1 n SER 103 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1nk1 n MET 104 N -1.36 1.53 -3.38 4.33 2.81 -1.26 -4.94 117.12 114.85 1nk1 n MET 104 Ca 0.01 -2.64 -0.34 0.00 -1.81 0.00 0.00 57.70 52.92 1nk1 n MET 104 Cb 0.03 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 30.93 1nk1 n MET 104 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1nk1 s SER 105 N -2.75 6.77 0.02 7.83 0.01 -0.53 -5.04 113.70 120.00 1nk1 s SER 105 Ca 0.34 1.03 -0.30 0.00 1.31 0.00 0.00 55.95 58.33 1nk1 s SER 105 Cb 0.29 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1nk1 s SER 105 CO 0.04 0.06 1.03 -0.94 0.41 0.00 0.00 173.24 173.84 1nk1 s SER 106 N -1.87 7.31 0.00 2.44 1.04 -1.26 -3.81 113.70 117.55 1nk1 s SER 106 Ca 0.40 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.57 1nk1 s SER 106 Cb -0.14 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1nk1 s SER 106 CO 0.19 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1nk1 n GLY 107 N 2.94 1.08 3.42 7.32 0.00 -1.26 -4.95 105.19 113.74 1nk1 n GLY 107 Ca 0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1nk1 n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nk1 s VAL 108 N -2.25 -0.29 0.18 1.61 -7.23 -1.25 -1.44 120.40 109.73 1nk1 s VAL 108 Ca 0.00 0.07 0.09 0.00 -1.81 0.00 0.00 61.98 60.33 1nk1 s VAL 108 Cb 0.00 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1nk1 s VAL 108 CO 0.00 0.03 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.18 1nk1 s LYS 109 N 1.94 2.05 0.46 4.82 1.02 -0.26 -4.83 119.74 124.94 1nk1 s LYS 109 Ca -0.07 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 54.66 1nk1 s LYS 109 Cb -0.09 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1nk1 s LYS 109 CO -0.16 0.43 0.66 -1.59 -0.92 0.00 0.00 175.35 173.77 1nk1 s LYS 110 N -2.85 2.92 0.03 1.68 -2.85 -1.26 0.21 119.74 117.61 1nk1 s LYS 110 Ca 0.25 -0.71 -0.02 0.00 -1.00 0.00 0.00 55.97 54.49 1nk1 s LYS 110 Cb -0.09 -2.60 -0.02 0.00 -2.06 0.00 0.00 37.83 33.06 1nk1 s LYS 110 CO 0.15 -0.33 0.00 -1.21 0.10 0.00 0.00 175.35 174.06 1nk1 s GLU 111 N -4.53 0.44 0.47 1.78 2.02 0.02 -4.79 118.70 114.10 1nk1 s GLU 111 Ca 0.51 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.63 1nk1 s GLU 111 Cb -0.10 0.16 -0.06 0.00 0.10 0.00 0.00 34.13 34.23 1nk1 s GLU 111 CO 0.36 -0.08 0.86 0.12 0.02 0.00 0.00 175.26 176.54 1nk1 s PHE 112 N -2.21 3.50 0.00 1.61 2.19 -1.26 -1.63 117.98 120.18 1nk1 s PHE 112 Ca -0.09 1.14 0.00 0.00 0.33 0.00 0.00 56.93 58.31 1nk1 s PHE 112 Cb -0.04 -2.54 0.00 0.00 -1.31 0.00 0.00 43.02 39.13 1nk1 s PHE 112 CO -0.03 -0.27 0.00 0.41 1.83 0.00 0.00 175.22 177.15 1nk1 n GLY 113 N -1.71 0.71 0.30 13.12 0.00 -0.93 -4.87 105.19 111.81 1nk1 n GLY 113 Ca 0.04 0.61 0.06 0.00 0.00 0.00 0.00 46.02 46.72 1nk1 n GLY 113 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1nk1 h HIS 114 N 0.00 0.37 -0.00 1.61 2.07 -1.97 -2.17 115.15 115.06 1nk1 h HIS 114 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1nk1 h HIS 114 Cb 0.00 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 29.85 1nk1 h HIS 114 CO 0.00 0.23 -0.02 -0.85 -3.07 0.00 0.00 177.93 174.22 1nk1 n GLU 115 N -4.49 0.73 -4.14 5.12 0.00 -1.26 -4.65 120.64 111.94 1nk1 n GLU 115 Ca 0.02 -0.07 -0.31 0.00 0.00 0.00 0.00 57.16 56.80 1nk1 n GLU 115 Cb 0.09 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.95 1nk1 n GLU 115 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1nk1 s PHE 116 N -2.32 3.06 -0.02 -1.84 0.08 -0.81 0.35 117.98 116.47 1nk1 s PHE 116 Ca 0.36 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.44 1nk1 s PHE 116 Cb 0.21 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1nk1 s PHE 116 CO 0.43 0.49 -0.01 -0.51 -0.10 0.00 0.00 175.22 175.51 1nk1 s ASP 117 N -2.16 0.42 -0.08 1.36 1.01 -1.14 -1.07 116.67 115.01 1nk1 s ASP 117 Ca 0.25 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.46 1nk1 s ASP 117 Cb -0.12 -0.16 -0.03 0.00 1.01 0.00 0.00 42.92 43.62 1nk1 s ASP 117 CO 0.17 -0.04 -0.02 -0.22 0.21 0.00 0.00 175.17 175.27 1nk1 s LEU 118 N 0.58 3.46 -0.06 1.23 2.96 -0.86 -1.30 118.68 124.68 1nk1 s LEU 118 Ca -0.06 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1nk1 s LEU 118 Cb -0.09 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1nk1 s LEU 118 CO -0.01 0.36 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.00 1nk1 s TYR 119 N -0.80 1.08 -0.06 5.38 2.02 -0.51 -0.40 117.35 124.07 1nk1 s TYR 119 Ca 0.12 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1nk1 s TYR 119 Cb -0.11 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1nk1 s TYR 119 CO 0.02 -0.28 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.32 1nk1 s GLU 120 N 1.02 2.60 -0.19 -0.62 2.02 -0.38 -1.24 118.70 121.91 1nk1 s GLU 120 Ca -0.09 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 1nk1 s GLU 120 Cb -0.14 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 1nk1 s GLU 120 CO -0.00 0.46 1.69 1.21 0.02 0.00 0.00 175.26 178.64 1nk1 s ASN 121 N -0.34 6.33 0.65 -0.19 3.84 0.28 -1.12 114.94 124.39 1nk1 s ASN 121 Ca 0.02 1.76 0.34 0.00 0.21 0.00 0.00 52.86 55.19 1nk1 s ASN 121 Cb -0.12 -2.53 1.83 0.00 -0.55 0.00 0.00 41.25 39.88 1nk1 s ASN 121 CO 0.02 -1.28 2.03 0.11 -2.79 0.00 0.00 177.10 175.19 1nk1 h LYS 122 N 11.00 0.00 0.00 0.43 1.57 -1.87 0.57 116.57 128.26 1nk1 h LYS 122 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1nk1 h LYS 122 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1nk1 h LYS 122 CO 0.99 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.62 1nk1 n ASP 123 N -2.91 0.00 -0.18 0.86 8.00 -1.26 -2.62 116.55 118.45 1nk1 n ASP 123 Ca -0.02 -0.04 0.05 0.00 0.71 0.00 0.00 54.79 55.48 1nk1 n ASP 123 Cb 0.28 -0.23 0.07 0.00 -0.02 0.00 0.00 41.12 41.22 1nk1 n ASP 123 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nk1 n TYR 124 N -1.23 0.00 -3.92 1.24 4.02 0.19 -4.93 117.16 112.52 1nk1 n TYR 124 Ca 0.08 -0.54 -0.33 0.00 -0.01 0.00 0.00 57.90 57.10 1nk1 n TYR 124 Cb 0.11 -0.09 -0.14 0.00 -0.02 0.00 0.00 39.34 39.20 1nk1 n TYR 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1nk1 s ILE 125 N -1.49 2.72 -0.16 -0.72 1.01 -1.08 -4.98 121.20 116.50 1nk1 s ILE 125 Ca 0.15 -2.10 -0.18 0.00 0.00 0.00 0.00 60.65 58.52 1nk1 s ILE 125 Cb 0.13 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 1nk1 s ILE 125 CO 0.01 -0.55 0.59 -1.14 0.00 0.00 0.00 174.94 173.85 1nk1 n ARG 126 N 4.43 0.00 -0.25 2.79 0.63 -1.26 -4.80 116.66 118.20 1nk1 n ARG 126 Ca -0.01 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.01 1nk1 n ARG 126 Cb 0.42 -0.58 0.23 0.00 0.45 0.00 0.00 32.46 32.98 1nk1 n ARG 126 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1nk1 n ASN 127 N 1.40 3.40 -4.49 6.15 6.94 -1.26 -4.27 115.26 123.12 1nk1 n ASN 127 Ca 0.11 -1.97 -0.24 0.00 -0.02 0.00 0.00 54.58 52.47 1nk1 n ASN 127 Cb -0.01 -0.33 -0.10 0.00 -2.36 0.00 0.00 39.78 36.97 1nk1 n ASN 127 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nk1 s ILE 129 N -2.70 5.40 -0.19 0.00 1.01 0.17 -4.69 121.20 120.20 1nk1 s ILE 129 Ca 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1nk1 s ILE 129 Cb 0.01 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1nk1 s ILE 129 CO 0.15 0.36 -0.11 -0.63 0.00 0.00 0.00 174.94 174.70 1nk1 s ILE 130 N -1.30 2.87 0.00 2.92 1.01 -1.26 -0.23 121.20 125.21 1nk1 s ILE 130 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1nk1 s ILE 130 Cb -0.13 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1nk1 s ILE 130 CO 0.17 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.20 1nk1 n GLY 131 N 4.53 3.39 0.10 6.18 0.00 -1.26 -1.56 105.19 116.58 1nk1 n GLY 131 Ca -0.19 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.79 1nk1 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nk1 n LYS 132 N 13.76 1.13 -1.82 1.61 4.76 -1.26 -4.90 118.16 131.44 1nk1 n LYS 132 Ca 0.00 -0.20 -0.07 0.00 -2.87 0.00 0.00 58.31 55.17 1nk1 n LYS 132 Cb 0.00 -1.28 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 1nk1 n LYS 132 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nk1 n GLY 133 N 0.83 0.37 0.23 0.72 0.00 -0.60 -4.15 105.19 102.59 1nk1 n GLY 133 Ca 0.13 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.60 1nk1 n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nk1 h ARG 134 N 0.00 0.00 -0.46 1.61 2.43 -1.80 -2.99 114.38 113.17 1nk1 h ARG 134 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1nk1 h ARG 134 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1nk1 h ARG 134 CO 0.20 0.23 0.00 -1.13 -1.51 0.00 0.00 179.97 177.76 1nk1 n SER 135 N -3.74 4.64 -4.68 -3.80 3.41 -1.26 -4.86 113.62 103.32 1nk1 n SER 135 Ca -0.01 -2.77 -0.42 0.00 -0.26 0.00 0.00 58.87 55.41 1nk1 n SER 135 Cb 0.34 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1nk1 n SER 135 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1nk1 s TYR 136 N -2.42 2.51 -0.07 7.33 5.04 -1.13 -4.89 117.35 123.72 1nk1 s TYR 136 Ca 0.47 0.50 0.10 0.00 -2.44 0.00 0.00 57.07 55.70 1nk1 s TYR 136 Cb 0.35 -3.83 0.15 0.00 0.35 0.00 0.00 41.96 38.98 1nk1 s TYR 136 CO 0.16 -3.28 1.04 1.63 -1.34 0.00 0.00 175.55 173.76 1nk1 n LYS 137 N 5.82 1.56 0.00 4.97 4.76 -1.26 -4.90 118.16 129.10 1nk1 n LYS 137 Ca 0.15 -1.93 0.00 0.00 -2.87 0.00 0.00 58.31 53.66 1nk1 n LYS 137 Cb 0.42 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 1nk1 n LYS 137 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nk1 n GLY 138 N -0.90 -2.82 0.07 0.72 0.00 -1.26 -4.99 105.19 96.01 1nk1 n GLY 138 Ca 0.08 -1.37 0.05 0.00 0.00 0.00 0.00 46.02 44.78 1nk1 n GLY 138 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nk1 n THR 139 N -2.45 1.46 -1.77 2.61 -2.24 -1.26 -4.88 114.28 105.76 1nk1 n THR 139 Ca 0.00 -1.64 -0.42 0.00 -2.27 0.00 0.00 64.05 59.73 1nk1 n THR 139 Cb 0.00 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 1nk1 n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nk1 s VAL 140 N -1.95 2.07 -0.28 2.28 1.01 -1.26 -4.85 120.40 117.42 1nk1 s VAL 140 Ca 0.17 0.06 0.19 0.00 0.00 0.00 0.00 61.98 62.40 1nk1 s VAL 140 Cb 0.15 -3.04 0.49 0.00 0.00 0.00 0.00 36.38 33.98 1nk1 s VAL 140 CO 0.02 0.01 1.10 -1.54 0.00 0.00 0.00 175.10 174.68 1nk1 n SER 141 N 2.67 2.22 -3.67 3.32 3.41 -1.26 -1.01 113.62 119.30 1nk1 n SER 141 Ca 0.10 -2.49 -0.14 0.00 -0.26 0.00 0.00 58.87 56.09 1nk1 n SER 141 Cb 0.37 -0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 1nk1 n SER 141 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nk1 s ILE 142 N -3.89 -0.40 1.06 -1.33 1.01 -1.26 -1.63 121.20 114.77 1nk1 s ILE 142 Ca 0.32 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 61.11 1nk1 s ILE 142 Cb 0.36 -0.43 0.17 0.00 0.01 0.00 0.00 42.46 42.57 1nk1 s ILE 142 CO -0.02 0.12 0.71 0.35 0.00 0.00 0.00 174.94 176.10 1nk1 n THR 143 N 5.32 0.00 0.03 2.92 -2.24 -0.78 -4.39 114.28 115.14 1nk1 n THR 143 Ca -0.07 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1nk1 n THR 143 Cb 0.50 -0.84 0.61 0.00 -2.10 0.00 0.00 70.33 68.49 1nk1 n THR 143 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1nk1 h LYS 144 N -2.17 0.15 -0.05 -0.78 3.64 -0.21 0.49 116.57 117.64 1nk1 h LYS 144 Ca -0.52 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1nk1 h LYS 144 Cb 1.31 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1nk1 h LYS 144 CO 0.42 0.10 0.00 -1.13 -2.27 0.00 0.00 179.45 176.57 1nk1 n SER 145 N -4.45 0.70 0.00 4.20 3.41 -1.26 -4.90 113.62 111.32 1nk1 n SER 145 Ca 0.07 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1nk1 n SER 145 Cb 0.40 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1nk1 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nk1 n GLY 146 N 0.98 0.79 3.81 5.00 0.00 0.16 -5.08 105.19 110.86 1nk1 n GLY 146 Ca 0.17 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1nk1 n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nk1 s ILE 147 N -2.00 5.08 0.61 -0.61 -4.36 -1.25 -4.87 121.20 113.80 1nk1 s ILE 147 Ca 0.00 -0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.21 1nk1 s ILE 147 Cb 0.00 -3.21 -0.04 0.00 1.25 0.00 0.00 42.46 40.46 1nk1 s ILE 147 CO 0.00 0.58 1.03 1.17 0.24 0.00 0.00 174.94 177.96 1nk1 n LYS 148 N 1.90 0.93 -2.77 0.37 4.81 -1.26 -1.86 118.16 120.28 1nk1 n LYS 148 Ca -0.18 0.36 -0.30 0.00 -0.87 0.00 0.00 58.31 57.32 1nk1 n LYS 148 Cb 0.54 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 33.32 1nk1 n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nk1 s GLN 150 N -3.97 4.12 0.65 0.00 0.74 0.16 -4.63 119.66 116.72 1nk1 s GLN 150 Ca 0.52 0.10 -0.17 0.00 0.05 0.00 0.00 55.36 55.86 1nk1 s GLN 150 Cb -0.10 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 1nk1 s GLN 150 CO 0.33 -0.09 0.64 -2.30 -0.55 0.00 0.00 175.29 173.32 1nk1 n PRO 151 N 4.70 0.50 0.20 1.67 -0.02 -1.26 -4.49 135.00 136.29 1nk1 n PRO 151 Ca -0.09 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.65 1nk1 n PRO 151 Cb 0.51 -1.88 0.39 0.00 -0.02 0.00 0.00 33.50 32.50 1nk1 n PRO 151 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1nk1 h TRP 152 N 0.00 0.00 0.00 6.00 4.06 -1.33 -2.56 115.95 122.13 1nk1 h TRP 152 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 1nk1 h TRP 152 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.53 1nk1 h TRP 152 CO 0.34 0.35 0.00 0.43 -3.56 0.00 0.00 178.44 176.00 1nk1 n SER 153 N -3.71 0.00 -4.62 -3.49 7.64 -1.26 -4.74 113.62 103.44 1nk1 n SER 153 Ca -0.01 -1.03 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 1nk1 n SER 153 Cb 0.45 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 1nk1 n SER 153 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nk1 s SER 154 N -1.79 4.82 0.00 6.43 0.01 -0.96 -4.98 113.70 117.23 1nk1 s SER 154 Ca 0.29 -0.05 0.16 0.00 1.31 0.00 0.00 55.95 57.66 1nk1 s SER 154 Cb 0.13 -1.21 0.29 0.00 0.21 0.00 0.00 66.02 65.44 1nk1 s SER 154 CO 0.22 0.31 1.19 0.23 0.41 0.00 0.00 173.24 175.61 1nk1 n MET 155 N 1.74 2.05 -4.50 12.44 0.00 -1.26 -4.78 117.12 122.81 1nk1 n MET 155 Ca -0.16 -1.89 -0.22 0.00 0.00 0.00 0.00 57.70 55.43 1nk1 n MET 155 Cb 0.53 -1.35 -0.16 0.00 0.00 0.00 0.00 33.22 32.24 1nk1 n MET 155 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1nk1 s ILE 156 N -1.16 0.96 0.17 2.02 1.01 -1.26 -2.24 121.20 120.70 1nk1 s ILE 156 Ca 0.26 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1nk1 s ILE 156 Cb 0.15 -0.86 0.06 0.00 0.01 0.00 0.00 42.46 41.83 1nk1 s ILE 156 CO 0.21 0.30 1.74 -0.65 0.00 0.00 0.00 174.94 176.55 1nk1 h PRO 157 N 6.55 0.81 -5.73 2.79 0.11 -1.86 -3.48 132.00 131.19 1nk1 h PRO 157 Ca -0.33 -0.12 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 1nk1 h PRO 157 Cb 1.17 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 32.08 1nk1 h PRO 157 CO 0.48 0.67 -0.42 -1.01 -0.21 0.00 0.00 178.00 177.52 1nk1 s HIS 158 N -5.67 3.63 0.31 0.65 3.76 -1.24 -5.03 115.29 111.69 1nk1 s HIS 158 Ca -0.13 0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 55.35 1nk1 s HIS 158 Cb 0.12 -2.01 -0.06 0.00 1.11 0.00 0.00 32.58 31.74 1nk1 s HIS 158 CO 0.78 0.71 0.60 -1.21 -0.85 0.00 0.00 174.74 174.77 1nk1 s GLU 159 N -1.09 3.67 0.38 1.40 2.02 -0.95 -4.19 118.70 119.94 1nk1 s GLU 159 Ca 0.18 0.12 -0.16 0.00 0.02 0.00 0.00 54.97 55.12 1nk1 s GLU 159 Cb -0.13 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.56 1nk1 s GLU 159 CO 0.07 0.17 0.79 -3.38 0.02 0.00 0.00 175.26 172.93 1nk1 s HIS 160 N -2.13 0.10 -1.46 1.61 -3.43 -1.26 -5.03 115.29 103.69 1nk1 s HIS 160 Ca 0.46 -0.76 0.15 0.00 -0.80 0.00 0.00 55.06 54.10 1nk1 s HIS 160 Cb -0.11 0.83 0.31 0.00 -1.43 0.00 0.00 32.58 32.19 1nk1 s HIS 160 CO 0.30 -1.54 1.22 -1.13 -2.00 0.00 0.00 174.74 171.58 1nk1 n SER 161 N -1.36 2.91 -4.27 7.38 3.41 -1.26 -4.80 113.62 115.63 1nk1 n SER 161 Ca -0.08 -1.87 -0.44 0.00 -0.26 0.00 0.00 58.87 56.21 1nk1 n SER 161 Cb 0.60 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1nk1 n SER 161 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1nk1 n PHE 162 N 0.86 4.55 -4.09 7.33 3.72 -1.26 -4.96 117.46 123.61 1nk1 n PHE 162 Ca 0.13 -3.55 -0.28 0.00 -0.05 0.00 0.00 57.45 53.70 1nk1 n PHE 162 Cb 0.45 -1.67 -0.06 0.00 -0.94 0.00 0.00 39.48 37.26 1nk1 n PHE 162 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1nk1 s LEU 163 N -1.30 3.69 0.06 4.37 1.43 -1.26 -4.85 118.68 120.82 1nk1 s LEU 163 Ca 0.32 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 1nk1 s LEU 163 Cb -0.06 -2.35 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 1nk1 s LEU 163 CO -0.03 0.12 1.36 -0.65 0.23 0.00 0.00 176.35 177.38 1nk1 h PRO 164 N 2.89 -0.52 0.00 1.29 0.11 -1.82 -3.20 132.00 130.76 1nk1 h PRO 164 Ca -0.47 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1nk1 h PRO 164 Cb 1.18 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1nk1 h PRO 164 CO 0.63 -0.35 0.00 0.43 -0.21 0.00 0.00 178.00 178.50 1nk1 n SER 165 N -4.40 0.00 0.00 -2.05 7.64 -1.26 -3.46 113.62 110.09 1nk1 n SER 165 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1nk1 n SER 165 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1nk1 n SER 165 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1nk1 n SER 166 N -2.55 0.00 -4.13 6.43 3.41 -1.21 -4.53 113.62 111.04 1nk1 n SER 166 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1nk1 n SER 166 Cb 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 64.21 63.75 1nk1 n SER 166 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nk1 n TYR 167 N 0.00 0.06 -3.60 7.33 4.01 -1.22 -4.83 117.16 118.90 1nk1 n TYR 167 Ca 0.00 0.04 -0.21 0.00 -0.16 0.00 0.00 57.90 57.57 1nk1 n TYR 167 Cb 0.00 -0.66 -0.03 0.00 -0.31 0.00 0.00 39.34 38.34 1nk1 n TYR 167 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1nk1 s ARG 168 N 6.63 2.48 0.00 -0.72 3.52 -1.24 -4.33 118.95 125.29 1nk1 s ARG 168 Ca 1.21 -1.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1nk1 s ARG 168 Cb -0.82 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1nk1 s ARG 168 CO 0.51 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 1nk1 n GLY 169 N -1.59 1.38 1.10 8.12 0.00 -1.26 -4.74 105.19 108.20 1nk1 n GLY 169 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1nk1 n GLY 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nk1 n LYS 170 N -2.00 2.44 -3.97 1.61 5.02 -1.26 -5.00 118.16 115.00 1nk1 n LYS 170 Ca 0.00 -2.22 -0.43 0.00 -2.02 0.00 0.00 58.31 53.65 1nk1 n LYS 170 Cb 0.00 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 1nk1 n LYS 170 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nk1 n ASP 171 N 1.43 -4.37 -2.45 4.39 2.03 -1.26 -4.80 116.55 111.52 1nk1 n ASP 171 Ca 0.18 -1.22 -0.22 0.00 0.52 0.00 0.00 54.79 54.04 1nk1 n ASP 171 Cb 0.59 -2.15 -0.11 0.00 -0.72 0.00 0.00 41.12 38.74 1nk1 n ASP 171 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nk1 n LEU 172 N -4.82 6.35 -4.91 -2.67 4.77 -1.26 -4.92 117.00 109.55 1nk1 n LEU 172 Ca -0.11 -3.73 -0.27 0.00 -0.03 0.00 0.00 56.01 51.86 1nk1 n LEU 172 Cb 0.57 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1nk1 n LEU 172 CO 0.73 1.80 0.45 -1.10 -1.33 0.00 0.00 177.39 177.93 1nk1 s GLN 173 N 0.33 3.54 0.91 3.23 -0.21 -1.26 -4.58 119.66 121.62 1nk1 s GLN 173 Ca 0.64 0.21 0.00 0.00 0.02 0.00 0.00 55.36 56.23 1nk1 s GLN 173 Cb 0.30 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.94 1nk1 s GLN 173 CO -0.07 -0.21 0.00 0.39 -2.12 0.00 0.00 175.29 173.28 1nk1 n GLU 174 N -2.26 0.00 -2.41 2.91 -0.58 -1.26 -2.66 120.64 114.38 1nk1 n GLU 174 Ca 0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1nk1 n GLU 174 Cb 0.55 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.45 1nk1 n GLU 174 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1nk1 n ASN 175 N 1.69 3.37 -4.75 1.62 6.94 -1.26 -1.02 115.26 121.85 1nk1 n ASN 175 Ca 0.00 -2.97 -0.41 0.00 -0.02 0.00 0.00 54.58 51.18 1nk1 n ASN 175 Cb 0.00 -0.41 -0.04 0.00 -2.36 0.00 0.00 39.78 36.97 1nk1 n ASN 175 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1nk1 s TYR 176 N -3.68 3.60 0.31 -2.53 2.02 -1.09 -4.46 117.35 111.53 1nk1 s TYR 176 Ca 0.40 1.64 -0.29 0.00 -0.37 0.00 0.00 57.07 58.44 1nk1 s TYR 176 Cb 0.37 -3.28 -0.11 0.00 -0.40 0.00 0.00 41.96 38.55 1nk1 s TYR 176 CO -0.00 -0.58 1.47 0.00 -1.57 0.00 0.00 175.55 174.86 1nk1 s ARG 178 N -1.14 1.71 -0.41 0.00 1.81 0.21 -4.72 118.95 116.40 1nk1 s ARG 178 Ca 0.57 -1.79 0.09 0.00 -1.72 0.00 0.00 55.73 52.88 1nk1 s ARG 178 Cb -0.44 0.37 0.33 0.00 -0.45 0.00 0.00 34.95 34.76 1nk1 s ARG 178 CO 0.52 -0.66 0.87 -1.71 -0.68 0.00 0.00 175.30 173.64 1nk1 n ASN 179 N -1.18 -0.65 -0.33 0.23 2.85 -1.26 0.74 115.26 115.66 1nk1 n ASN 179 Ca 0.03 -3.27 0.08 0.00 -0.11 0.00 0.00 54.58 51.31 1nk1 n ASN 179 Cb 0.63 0.50 0.25 0.00 1.24 0.00 0.00 39.78 42.39 1nk1 n ASN 179 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1nk1 h PRO 180 N 3.12 0.73 0.00 1.20 0.11 -1.90 -1.71 132.00 133.56 1nk1 h PRO 180 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1nk1 h PRO 180 Cb 1.02 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1nk1 h PRO 180 CO 0.35 0.49 -0.04 0.00 -0.21 0.00 0.00 178.00 178.58 1nk1 h ARG 181 N 0.76 0.00 -0.37 1.05 3.08 -1.97 -3.48 114.38 113.45 1nk1 h ARG 181 Ca 0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.54 1nk1 h ARG 181 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1nk1 h ARG 181 CO -0.34 0.00 -0.01 0.41 -1.07 0.00 0.00 179.97 178.96 1nk1 n GLY 182 N 1.21 0.54 3.78 0.04 0.00 -0.64 -5.03 105.19 105.09 1nk1 n GLY 182 Ca 0.05 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1nk1 n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nk1 s GLU 183 N -4.33 4.39 0.00 1.61 2.02 -1.26 -4.91 118.70 116.21 1nk1 s GLU 183 Ca 0.00 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.39 1nk1 s GLU 183 Cb -0.00 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1nk1 s GLU 183 CO 0.00 0.08 0.00 0.39 0.02 0.00 0.00 175.26 175.75 1nk1 n GLU 184 N 0.22 0.00 0.20 1.61 -0.58 -1.26 -1.11 120.64 119.73 1nk1 n GLU 184 Ca 0.03 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.92 1nk1 n GLU 184 Cb 0.50 0.00 0.57 0.00 -0.57 0.00 0.00 31.44 31.94 1nk1 n GLU 184 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1nk1 h GLY 185 N 0.00 0.00 0.00 0.62 0.00 -1.92 -3.48 103.07 98.29 1nk1 h GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nk1 h GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1nk1 n GLY 186 N 0.11 -1.62 3.75 4.60 0.00 -0.26 -4.90 105.19 106.85 1nk1 n GLY 186 Ca 0.02 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1nk1 n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nk1 n PRO 187 N 0.00 2.53 -0.42 1.61 -0.02 -1.25 -4.70 135.00 132.74 1nk1 n PRO 187 Ca 0.00 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1nk1 n PRO 187 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1nk1 n PRO 187 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1nk1 n TRP 188 N 0.83 -0.04 -3.63 6.00 4.27 0.23 -1.86 117.44 123.24 1nk1 n TRP 188 Ca 0.04 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.62 1nk1 n TRP 188 Cb 0.37 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.30 1nk1 n TRP 188 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nk1 s PHE 190 N -1.89 3.52 0.30 0.00 0.08 -1.26 -1.94 117.98 116.78 1nk1 s PHE 190 Ca 0.10 1.54 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 1nk1 s PHE 190 Cb -0.01 -3.14 -0.10 0.00 -0.57 0.00 0.00 43.02 39.21 1nk1 s PHE 190 CO -0.04 -0.19 1.17 0.99 -0.10 0.00 0.00 175.22 177.05 1nk1 s THR 191 N 1.86 3.23 -2.00 0.64 2.01 -0.75 0.37 115.64 121.00 1nk1 s THR 191 Ca 0.47 1.24 0.13 0.00 0.31 0.00 0.00 61.69 63.84 1nk1 s THR 191 Cb -0.18 -3.79 0.37 0.00 0.01 0.00 0.00 72.50 68.91 1nk1 s THR 191 CO 0.18 0.29 1.31 -1.54 -0.69 0.00 0.00 174.62 174.17 1nk1 n SER 192 N 1.04 0.00 -4.38 3.53 3.41 -1.13 -4.49 113.62 111.61 1nk1 n SER 192 Ca -0.01 -1.06 -0.45 0.00 -0.26 0.00 0.00 58.87 57.10 1nk1 n SER 192 Cb 0.44 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 1nk1 n SER 192 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1nk1 s ASN 193 N -1.67 6.17 0.59 4.04 3.84 -1.26 -4.78 114.94 121.87 1nk1 s ASN 193 Ca 0.20 -1.37 0.33 0.00 0.21 0.00 0.00 52.86 52.22 1nk1 s ASN 193 Cb 0.09 -2.22 1.20 0.00 -0.55 0.00 0.00 41.25 39.77 1nk1 s ASN 193 CO 0.15 -0.77 1.46 -0.65 -2.79 0.00 0.00 177.10 174.50 1nk1 h PRO 194 N 8.86 0.00 0.00 0.43 0.11 -1.96 1.10 132.00 140.54 1nk1 h PRO 194 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1nk1 h PRO 194 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1nk1 h PRO 194 CO 0.94 0.00 -0.26 0.93 -0.21 0.00 0.00 178.00 179.41 1nk1 h GLU 195 N 0.00 0.00 -4.81 1.05 4.39 -1.93 -3.42 114.58 109.87 1nk1 h GLU 195 Ca 0.56 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.58 1nk1 h GLU 195 Cb 2.87 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 31.18 1nk1 h GLU 195 CO -0.01 0.20 -0.74 0.08 -1.16 0.00 0.00 179.01 177.39 1nk1 s VAL 196 N -3.11 2.65 0.10 3.13 1.01 0.38 -5.00 120.40 119.56 1nk1 s VAL 196 Ca 0.05 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 1nk1 s VAL 196 Cb 0.06 -2.55 -0.11 0.00 0.00 0.00 0.00 36.38 33.78 1nk1 s VAL 196 CO 0.71 -0.09 1.61 -0.09 0.00 0.00 0.00 175.10 177.23 1nk1 h ARG 197 N 7.90 -0.65 -3.53 2.72 1.12 -1.82 -3.30 114.38 116.83 1nk1 h ARG 197 Ca -0.20 0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.68 1nk1 h ARG 197 Cb 1.05 0.15 -0.09 0.00 -0.01 0.00 0.00 29.97 31.07 1nk1 h ARG 197 CO 0.51 -0.43 -0.06 1.52 -3.11 0.00 0.00 179.97 178.40 1nk1 s TYR 198 N -5.98 0.24 0.03 2.20 1.13 -1.26 -1.80 117.35 111.89 1nk1 s TYR 198 Ca -0.16 -0.61 -0.27 0.00 -1.41 0.00 0.00 57.07 54.61 1nk1 s TYR 198 Cb 0.07 0.28 0.09 0.00 -1.10 0.00 0.00 41.96 41.30 1nk1 s TYR 198 CO 0.63 -1.02 0.79 -2.00 -2.51 0.00 0.00 175.55 171.45 1nk1 s GLU 199 N -3.99 0.96 0.41 -3.49 2.12 -0.82 -4.82 118.70 109.07 1nk1 s GLU 199 Ca 0.19 -0.26 -0.11 0.00 0.36 0.00 0.00 54.97 55.15 1nk1 s GLU 199 Cb -0.01 0.44 -0.07 0.00 0.26 0.00 0.00 34.13 34.75 1nk1 s GLU 199 CO 0.07 -0.40 0.78 0.08 -0.54 0.00 0.00 175.26 175.25 1nk1 s VAL 200 N -2.95 4.77 0.36 3.70 1.01 -1.26 -2.24 120.40 123.80 1nk1 s VAL 200 Ca 0.02 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1nk1 s VAL 200 Cb -0.01 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1nk1 s VAL 200 CO -0.08 -0.52 0.53 0.00 0.00 0.00 0.00 175.10 175.04 1nk1 n ASP 202 N -1.78 7.12 -4.66 0.00 -0.08 -1.26 -4.65 116.55 111.24 1nk1 n ASP 202 Ca -0.01 -3.75 -0.43 0.00 -1.51 0.00 0.00 54.79 49.09 1nk1 n ASP 202 Cb 0.58 -1.06 -0.02 0.00 2.34 0.00 0.00 41.12 42.96 1nk1 n ASP 202 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1nk1 s ILE 203 N -4.69 4.64 0.80 5.18 1.01 -1.26 -5.00 121.20 121.87 1nk1 s ILE 203 Ca 0.45 1.98 -0.14 0.00 0.00 0.00 0.00 60.65 62.94 1nk1 s ILE 203 Cb 0.30 -4.28 0.04 0.00 0.01 0.00 0.00 42.46 38.54 1nk1 s ILE 203 CO -0.25 -0.18 0.94 -2.65 0.00 0.00 0.00 174.94 172.81 1nk1 n PRO 204 N 6.35 0.20 -3.55 2.79 -0.02 -1.26 -4.64 135.00 134.86 1nk1 n PRO 204 Ca 0.12 0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.41 1nk1 n PRO 204 Cb 0.46 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1nk1 n PRO 204 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nk1 s GLN 205 N -3.68 3.73 0.03 -0.52 -1.52 -1.26 0.44 119.66 116.88 1nk1 s GLN 205 Ca 0.70 0.12 0.09 0.00 -1.95 0.00 0.00 55.36 54.32 1nk1 s GLN 205 Cb -0.30 -2.81 0.42 0.00 -0.22 0.00 0.00 33.01 30.09 1nk1 s GLN 205 CO 0.54 0.43 1.30 0.00 -0.25 0.00 0.00 175.29 177.31 1nk1 n SER 207 N -1.59 6.91 0.00 0.00 3.41 -1.26 -4.96 113.62 116.13 1nk1 n SER 207 Ca 0.02 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1nk1 n SER 207 Cb 0.10 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1nk1 n SER 207 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1nk1 n GLU 208 N -0.35 0.00 0.00 4.33 0.28 -1.13 -5.22 120.64 118.55 1nk1 n GLU 208 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1nk1 n GLU 208 Cb 0.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.17 1nk1 n GLU 208 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52