#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jky s LYS 6 N 0.00 4.71 -0.30 -0.67 2.20 -1.26 -4.34 119.74 120.07 2jky s LYS 6 Ca 0.00 1.47 -0.10 0.00 -0.36 0.00 0.00 55.97 56.98 2jky s LYS 6 Cb 0.00 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2jky s LYS 6 CO 0.00 0.23 0.16 -0.65 -0.36 0.00 0.00 175.35 174.73 2jky s GLN 7 N -0.11 3.49 -0.20 4.03 -1.52 0.38 -4.96 119.66 120.78 2jky s GLN 7 Ca 0.47 -0.62 -0.18 0.00 -1.95 0.00 0.00 55.36 53.08 2jky s GLN 7 Cb -0.24 -3.59 -0.03 0.00 -0.22 0.00 0.00 33.01 28.93 2jky s GLN 7 CO 0.30 -0.36 0.49 0.71 -0.25 0.00 0.00 175.29 176.18 2jky s TYR 8 N 1.65 3.38 -0.15 0.91 1.51 -1.26 0.12 117.35 123.51 2jky s TYR 8 Ca 0.05 0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 56.81 2jky s TYR 8 Cb -0.17 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.02 2jky s TYR 8 CO 0.07 -0.07 -0.03 0.42 -1.11 0.00 0.00 175.55 174.83 2jky s ILE 9 N 1.53 3.96 0.51 2.71 -1.09 0.31 -4.17 121.20 124.97 2jky s ILE 9 Ca 0.23 -0.34 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 2jky s ILE 9 Cb -0.15 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 2jky s ILE 9 CO 0.09 0.50 0.79 -0.94 -1.23 0.00 0.00 174.94 174.15 2jky s SER 10 N 0.26 5.85 0.20 3.58 1.04 -1.15 -3.03 113.70 120.46 2jky s SER 10 Ca -0.02 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 2jky s SER 10 Cb -0.14 -1.79 0.14 0.00 0.10 0.00 0.00 66.02 64.34 2jky s SER 10 CO 0.03 -0.81 1.87 1.88 0.98 0.00 0.00 173.24 177.19 2jky h TYR 11 N 0.14 0.92 -0.53 5.02 0.05 -1.95 -2.67 116.97 117.94 2jky h TYR 11 Ca -0.46 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.31 2jky h TYR 11 Cb 1.24 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.65 2jky h TYR 11 CO 0.49 0.58 0.24 -0.91 -1.05 0.00 0.00 178.16 177.51 2jky h ASN 12 N 0.98 0.68 0.37 3.88 -0.26 -1.94 -0.74 115.58 118.55 2jky h ASN 12 Ca 0.26 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 2jky h ASN 12 Cb -0.10 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 36.99 2jky h ASN 12 CO -0.06 0.59 -0.18 -1.13 -1.06 0.00 0.00 177.43 175.60 2jky h ASN 13 N 0.75 -0.42 -0.24 5.81 -0.73 -1.76 -2.28 115.58 116.71 2jky h ASN 13 Ca 0.18 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.41 2jky h ASN 13 Cb 0.11 0.11 -0.06 0.00 0.27 0.00 0.00 38.32 38.75 2jky h ASN 13 CO -0.02 -0.28 -0.16 0.58 -0.37 0.00 0.00 177.43 177.18 2jky h VAL 14 N -0.51 0.55 -0.57 2.57 2.07 -1.13 -0.57 116.25 118.66 2jky h VAL 14 Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 2jky h VAL 14 Cb 0.39 0.55 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 2jky h VAL 14 CO 0.08 0.00 -0.14 -0.74 0.02 0.00 0.00 177.57 176.79 2jky h HIS 15 N -0.14 -0.31 -0.55 1.57 -0.00 -1.12 -1.12 115.15 113.48 2jky h HIS 15 Ca 0.13 0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.50 2jky h HIS 15 Cb 0.34 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.95 2jky h HIS 15 CO -0.32 -0.25 0.12 1.96 -0.00 0.00 0.00 177.93 179.44 2jky h GLN 16 N -0.00 0.86 -0.53 5.26 4.20 -0.81 -0.93 115.11 123.16 2jky h GLN 16 Ca 0.27 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 2jky h GLN 16 Cb 0.42 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2jky h GLN 16 CO -0.58 0.79 0.05 -0.07 -0.67 0.00 0.00 178.83 178.34 2jky h LEU 17 N 0.83 0.83 -0.45 1.46 3.38 -0.07 -0.79 115.31 120.49 2jky h LEU 17 Ca 0.18 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2jky h LEU 17 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jky h LEU 17 CO 0.00 0.86 -0.74 0.00 0.09 0.00 0.00 178.44 178.65 2jky h GLN 19 N 0.17 0.57 0.00 0.00 4.15 -0.76 -2.21 115.11 117.03 2jky h GLN 19 Ca -0.03 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2jky h GLN 19 Cb 1.31 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2jky h GLN 19 CO 0.12 0.65 0.00 1.33 -1.93 0.00 0.00 178.83 178.99 2jky n VAL 20 N -4.58 0.52 -0.04 2.39 0.24 -0.34 -3.36 118.33 113.16 2jky n VAL 20 Ca -0.02 -0.18 -0.05 0.00 -2.04 0.00 0.00 64.34 62.05 2jky n VAL 20 Cb 0.22 -0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 31.83 2jky n VAL 20 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jky n SER 21 N -2.11 0.47 -0.13 -1.34 7.64 -1.14 -4.43 113.62 112.57 2jky n SER 21 Ca 0.05 0.22 0.14 0.00 1.01 0.00 0.00 58.87 60.29 2jky n SER 21 Cb 0.39 0.56 0.50 0.00 -1.01 0.00 0.00 64.21 64.64 2jky n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jky h ALA 22 N 1.19 2.06 -0.28 -0.43 0.00 -1.40 -1.88 119.26 118.51 2jky h ALA 22 Ca -0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2jky h ALA 22 Cb 1.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2jky h ALA 22 CO 0.05 -0.22 0.04 0.93 0.00 0.00 0.00 179.25 180.04 2jky h GLU 23 N 0.43 0.46 0.00 0.00 4.39 -1.77 -1.84 114.58 116.24 2jky h GLU 23 Ca 0.33 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 2jky h GLU 23 Cb 0.69 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2jky h GLU 23 CO -0.10 0.58 -0.17 0.07 -1.16 0.00 0.00 179.01 178.23 2jky h ARG 24 N 0.28 0.00 0.00 2.33 0.11 -1.74 -3.19 114.38 112.16 2jky h ARG 24 Ca 0.08 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.03 2jky h ARG 24 Cb 0.34 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 2jky h ARG 24 CO 0.01 0.17 -0.62 0.82 0.10 0.00 0.00 179.97 180.44 2jky h ILE 25 N 0.00 1.33 0.00 0.08 2.04 -1.18 -3.02 117.51 116.76 2jky h ILE 25 Ca -0.00 -2.22 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 2jky h ILE 25 Cb 1.00 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2jky h ILE 25 CO 0.02 0.61 -0.07 0.11 0.00 0.00 0.00 178.15 178.82 2jky h LYS 26 N 0.00 0.00 -0.01 2.37 1.57 -1.32 -1.30 116.57 117.88 2jky h LYS 26 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2jky h LYS 26 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2jky h LYS 26 CO 0.08 0.07 -0.32 -0.91 -0.57 0.00 0.00 179.45 177.80 2jky h ASN 27 N 0.00 0.02 1.24 0.86 2.35 -1.66 -2.57 115.58 115.81 2jky h ASN 27 Ca -0.00 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2jky h ASN 27 Cb 0.29 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2jky h ASN 27 CO 0.01 0.34 -0.24 0.15 -1.65 0.00 0.00 177.43 176.04 2jky h PHE 28 N 0.02 0.00 -5.84 1.19 3.57 -1.37 -3.48 116.94 111.03 2jky h PHE 28 Ca 0.00 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.20 2jky h PHE 28 Cb 0.57 0.00 0.11 0.00 2.79 0.00 0.00 35.95 39.42 2jky h PHE 28 CO 0.00 0.24 -0.77 1.63 -2.23 0.00 0.00 178.31 177.17 2jky n LYS 29 N -3.28 -1.63 -2.20 1.11 4.76 -0.97 -4.91 118.16 111.04 2jky n LYS 29 Ca 0.01 0.79 -0.41 0.00 -2.87 0.00 0.00 58.31 55.83 2jky n LYS 29 Cb 0.51 -4.90 -0.03 0.00 -1.84 0.00 0.00 35.03 28.77 2jky n LYS 29 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jky s PRO 30 N -4.87 4.39 -0.05 1.97 0.04 -1.26 -4.63 135.00 130.59 2jky s PRO 30 Ca 0.37 2.08 0.12 0.00 0.04 0.00 0.00 61.00 63.61 2jky s PRO 30 Cb -0.09 -3.17 -0.23 0.00 0.04 0.00 0.00 34.50 31.05 2jky s PRO 30 CO 0.80 -0.22 0.62 -0.25 0.04 0.00 0.00 177.00 177.99 2jky n ASP 31 N 2.17 0.92 -3.83 6.66 8.00 0.59 -4.97 116.55 126.08 2jky n ASP 31 Ca 0.04 0.39 -0.09 0.00 0.71 0.00 0.00 54.79 55.84 2jky n ASP 31 Cb 0.43 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 2jky n ASP 31 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2jky s LEU 32 N -6.12 0.89 -0.05 0.64 2.34 -1.19 -4.44 118.68 110.75 2jky s LEU 32 Ca -0.06 -0.64 0.06 0.00 0.06 0.00 0.00 54.13 53.55 2jky s LEU 32 Cb 0.08 1.39 -0.02 0.00 -0.56 0.00 0.00 46.19 47.08 2jky s LEU 32 CO 0.82 -0.85 -0.23 -0.63 -1.06 0.00 0.00 176.35 174.40 2jky s ILE 33 N -3.89 2.27 -0.27 1.48 1.01 -0.23 -2.19 121.20 119.39 2jky s ILE 33 Ca 0.09 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2jky s ILE 33 Cb 0.03 -1.83 0.06 0.00 0.01 0.00 0.00 42.46 40.74 2jky s ILE 33 CO -0.06 0.58 -0.09 -0.63 0.00 0.00 0.00 174.94 174.73 2jky s ILE 34 N -0.40 2.20 -0.22 2.92 1.01 0.01 -0.32 121.20 126.40 2jky s ILE 34 Ca 0.04 -1.72 -0.15 0.00 0.00 0.00 0.00 60.65 58.82 2jky s ILE 34 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2jky s ILE 34 CO 0.01 -0.10 0.36 0.00 0.00 0.00 0.00 174.94 175.22 2jky s ALA 35 N 1.08 3.57 -0.31 9.38 0.00 0.53 -0.53 121.76 135.47 2jky s ALA 35 Ca -0.07 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 2jky s ALA 35 Cb -0.20 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.33 2jky s ALA 35 CO -0.05 -0.35 1.08 0.42 0.00 0.00 0.00 175.76 176.85 2jky s ILE 36 N 1.41 4.52 0.00 0.00 1.01 0.91 -2.29 121.20 126.77 2jky s ILE 36 Ca 0.17 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.58 2jky s ILE 36 Cb -0.15 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 37.92 2jky s ILE 36 CO 0.08 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.18 2jky n GLY 37 N 3.82 1.02 0.18 6.18 0.00 0.11 -1.26 105.19 115.23 2jky n GLY 37 Ca 0.12 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.69 2jky n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jky h GLY 38 N 0.00 0.00 1.17 -0.02 0.00 -1.93 -3.26 103.07 99.04 2jky h GLY 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2jky h GLY 38 CO 0.00 0.00 -1.57 -1.33 0.00 0.00 0.00 176.54 173.64 2jky h GLY 39 N 3.43 0.53 1.44 4.60 0.00 -1.95 -3.36 103.07 107.77 2jky h GLY 39 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 47.33 45.97 2jky h GLY 39 CO 0.00 1.19 -0.44 -1.33 0.00 0.00 0.00 176.54 175.97 2jky h GLY 40 N 0.50 0.00 1.00 4.60 0.00 -1.27 -3.29 103.07 104.62 2jky h GLY 40 Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2jky h GLY 40 CO 0.23 0.00 0.36 -2.75 0.00 0.00 0.00 176.54 174.39 2jky h PHE 41 N 0.00 0.68 0.06 5.60 3.57 -1.71 -1.52 116.94 123.62 2jky h PHE 41 Ca 0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2jky h PHE 41 Cb 0.78 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2jky h PHE 41 CO 0.00 0.43 -0.68 0.82 -2.23 0.00 0.00 178.31 176.64 2jky h ILE 42 N 0.74 1.44 -0.94 1.41 2.04 -1.82 -3.11 117.51 117.27 2jky h ILE 42 Ca 0.20 -2.38 0.24 0.00 1.00 0.00 0.00 64.86 63.91 2jky h ILE 42 Cb -0.09 3.03 -0.13 0.00 -0.74 0.00 0.00 36.82 38.90 2jky h ILE 42 CO -0.04 0.61 0.47 -0.65 0.00 0.00 0.00 178.15 178.54 2jky h PRO 43 N -0.70 0.44 -0.49 2.37 0.11 -1.78 -1.44 132.00 130.51 2jky h PRO 43 Ca -0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 2jky h PRO 43 Cb 1.36 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2jky h PRO 43 CO 0.02 0.29 0.27 0.00 -0.21 0.00 0.00 178.00 178.36 2jky h ALA 44 N 1.73 0.63 -0.44 -0.75 0.00 -1.35 -1.04 119.26 118.04 2jky h ALA 44 Ca 0.60 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 2jky h ALA 44 Cb 1.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2jky h ALA 44 CO -0.52 0.16 0.13 -0.09 0.00 0.00 0.00 179.25 178.93 2jky h ARG 45 N 0.65 0.68 -0.55 0.00 9.65 -1.35 -2.45 114.38 121.02 2jky h ARG 45 Ca 0.17 -0.15 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 2jky h ARG 45 Cb 0.06 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 2jky h ARG 45 CO -0.03 0.67 -0.04 0.82 2.80 0.00 0.00 179.97 184.20 2jky h ILE 46 N 0.57 1.27 -0.53 1.20 2.04 -1.12 -2.58 117.51 118.36 2jky h ILE 46 Ca 0.14 -1.17 0.09 0.00 1.00 0.00 0.00 64.86 64.92 2jky h ILE 46 Cb 0.28 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2jky h ILE 46 CO -0.00 0.42 0.10 -0.07 0.00 0.00 0.00 178.15 178.59 2jky h LEU 47 N 0.87 -0.02 -1.53 1.44 3.38 -1.18 -2.81 115.31 115.47 2jky h LEU 47 Ca 0.15 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.39 2jky h LEU 47 Cb 0.59 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2jky h LEU 47 CO 0.04 0.01 0.54 -0.09 0.09 0.00 0.00 178.44 179.03 2jky h ARG 48 N 0.23 0.42 -0.48 1.13 2.43 -1.02 0.16 114.38 117.25 2jky h ARG 48 Ca 0.27 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2jky h ARG 48 Cb 0.37 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2jky h ARG 48 CO -0.36 0.28 0.28 1.15 -1.51 0.00 0.00 179.97 179.81 2jky h THR 49 N 0.44 1.03 -0.01 0.20 2.02 -1.44 -2.86 112.91 112.29 2jky h THR 49 Ca 0.41 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2jky h THR 49 Cb 0.95 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2jky h THR 49 CO -0.15 0.10 -0.04 0.49 0.37 0.00 0.00 175.52 176.29 2jky n PHE 50 N -4.83 0.00 0.24 3.16 3.72 -0.05 -3.57 117.46 116.13 2jky n PHE 50 Ca 0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 2jky n PHE 50 Cb 0.08 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.48 2jky n PHE 50 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jky n LEU 51 N -0.13 0.34 -4.65 4.37 4.77 -0.62 -4.84 117.00 116.25 2jky n LEU 51 Ca 0.18 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 2jky n LEU 51 Cb 0.32 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2jky n LEU 51 CO 0.18 0.02 1.21 -0.75 -1.33 0.00 0.00 177.39 176.73 2jky s LYS 52 N -3.37 4.10 -0.02 3.23 2.36 -1.09 -5.01 119.74 119.93 2jky s LYS 52 Ca -0.03 1.73 0.00 0.00 -2.55 0.00 0.00 55.97 55.12 2jky s LYS 52 Cb 0.14 -3.88 -0.04 0.00 -1.05 0.00 0.00 37.83 33.00 2jky s LYS 52 CO 0.87 -0.90 0.02 -1.21 1.55 0.00 0.00 175.35 175.68 2jky s GLU 53 N 3.93 2.90 -0.30 4.03 0.41 -1.26 -5.05 118.70 123.36 2jky s GLU 53 Ca 0.62 -0.53 -0.29 0.00 -0.41 0.00 0.00 54.97 54.36 2jky s GLU 53 Cb -0.24 -2.75 -0.07 0.00 -1.78 0.00 0.00 34.13 29.29 2jky s GLU 53 CO 0.22 0.65 2.26 -2.30 -0.49 0.00 0.00 175.26 175.60 2jky n PRO 54 N 1.53 1.60 0.00 0.39 -0.02 -1.26 -2.44 135.00 134.81 2jky n PRO 54 Ca -0.15 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2jky n PRO 54 Cb 0.53 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 2jky n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jky n GLY 55 N 5.99 0.51 3.82 -1.23 0.00 -1.26 -5.10 105.19 107.92 2jky n GLY 55 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 2jky n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jky s VAL 56 N -1.02 5.39 0.74 1.61 -7.23 -1.02 -5.07 120.40 113.80 2jky s VAL 56 Ca 0.00 0.34 -0.14 0.00 -1.81 0.00 0.00 61.98 60.37 2jky s VAL 56 Cb 0.00 -3.49 0.05 0.00 0.56 0.00 0.00 36.38 33.50 2jky s VAL 56 CO 0.00 0.54 1.17 -2.84 -0.31 0.00 0.00 175.10 173.66 2jky s PRO 57 N -0.51 2.13 0.03 4.82 0.02 -1.26 -4.53 135.00 135.70 2jky s PRO 57 Ca 0.15 1.60 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 2jky s PRO 57 Cb -0.13 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 2jky s PRO 57 CO 0.04 -1.81 1.58 0.99 -0.33 0.00 0.00 177.00 177.47 2jky s THR 58 N -2.24 3.34 0.38 0.99 2.01 -1.26 -4.98 115.64 113.89 2jky s THR 58 Ca 0.70 0.71 -0.25 0.00 0.31 0.00 0.00 61.69 63.17 2jky s THR 58 Cb -0.25 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.71 2jky s THR 58 CO 0.47 -0.01 1.02 0.27 -0.69 0.00 0.00 174.62 175.68 2jky s ILE 59 N 2.83 3.88 0.37 1.82 -4.36 -1.26 -5.01 121.20 119.46 2jky s ILE 59 Ca 0.71 1.47 -0.26 0.00 -0.26 0.00 0.00 60.65 62.30 2jky s ILE 59 Cb -0.36 -3.77 -0.09 0.00 1.25 0.00 0.00 42.46 39.49 2jky s ILE 59 CO 0.30 0.03 1.13 -0.13 0.24 0.00 0.00 174.94 176.51 2jky s ARG 60 N -2.38 4.24 -0.16 0.37 0.52 -1.26 -4.87 118.95 115.40 2jky s ARG 60 Ca 0.56 1.76 -0.02 0.00 -0.52 0.00 0.00 55.73 57.51 2jky s ARG 60 Cb -0.21 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 2jky s ARG 60 CO 0.26 -0.13 -0.09 0.42 0.02 0.00 0.00 175.30 175.78 2jky s ILE 61 N -1.40 3.29 -0.13 1.52 1.01 -1.26 -1.06 121.20 123.17 2jky s ILE 61 Ca 0.54 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 2jky s ILE 61 Cb -0.29 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 2jky s ILE 61 CO 0.37 0.49 -0.09 -0.36 0.00 0.00 0.00 174.94 175.35 2jky s PHE 62 N 0.73 2.91 -0.25 3.97 0.40 0.57 -4.98 117.98 121.33 2jky s PHE 62 Ca -0.04 -0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 55.79 2jky s PHE 62 Cb -0.15 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 2jky s PHE 62 CO 0.02 -0.06 0.13 0.00 0.70 0.00 0.00 175.22 176.00 2jky s ALA 63 N 0.19 3.38 0.21 5.36 0.00 -1.26 -0.35 121.76 129.29 2jky s ALA 63 Ca -0.05 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 50.96 2jky s ALA 63 Cb -0.14 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 2jky s ALA 63 CO 0.04 -0.42 -0.19 0.96 0.00 0.00 0.00 175.76 176.15 2jky s ILE 64 N 1.50 2.08 -0.08 0.00 -4.36 -0.97 -4.60 121.20 114.76 2jky s ILE 64 Ca 0.06 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 2jky s ILE 64 Cb -0.15 -2.08 0.02 0.00 1.25 0.00 0.00 42.46 41.50 2jky s ILE 64 CO 0.06 -0.39 -0.08 -0.63 0.24 0.00 0.00 174.94 174.15 2jky s ILE 65 N -2.38 0.93 -0.18 8.37 1.01 0.76 0.07 121.20 129.78 2jky s ILE 65 Ca 0.23 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 2jky s ILE 65 Cb -0.05 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 2jky s ILE 65 CO 0.10 0.33 -0.00 -0.76 0.00 0.00 0.00 174.94 174.61 2jky s LEU 66 N 1.25 3.32 -0.21 2.97 1.43 -1.26 -1.80 118.68 124.39 2jky s LEU 66 Ca -0.04 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 2jky s LEU 66 Cb -0.14 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2jky s LEU 66 CO -0.03 0.11 -0.01 -0.44 0.23 0.00 0.00 176.35 176.21 2jky s SER 67 N 0.74 4.64 -0.02 2.29 0.01 -0.84 -4.96 113.70 115.56 2jky s SER 67 Ca -0.00 -0.27 -0.16 0.00 1.31 0.00 0.00 55.95 56.83 2jky s SER 67 Cb -0.14 -1.79 -0.06 0.00 0.21 0.00 0.00 66.02 64.24 2jky s SER 67 CO 0.02 0.03 0.43 -0.76 0.41 0.00 0.00 173.24 173.37 2jky s LEU 68 N 1.19 4.44 0.02 2.44 1.43 -1.26 -1.12 118.68 125.82 2jky s LEU 68 Ca 0.03 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 2jky s LEU 68 Cb -0.15 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 2jky s LEU 68 CO 0.00 0.27 -0.08 -0.72 0.23 0.00 0.00 176.35 176.05 2jky s TYR 69 N -0.78 0.74 0.73 0.29 1.13 -0.47 -4.99 117.35 114.00 2jky s TYR 69 Ca 0.24 -0.29 -0.12 0.00 -1.41 0.00 0.00 57.07 55.49 2jky s TYR 69 Cb -0.17 -0.45 0.18 0.00 -1.10 0.00 0.00 41.96 40.42 2jky s TYR 69 CO 0.13 -0.02 0.71 -0.85 -2.51 0.00 0.00 175.55 173.01 2jky n GLU 70 N 2.23 -1.99 -1.44 -3.49 0.28 -1.26 -1.64 120.64 113.32 2jky n GLU 70 Ca -0.17 -1.13 -0.38 0.00 -0.16 0.00 0.00 57.16 55.32 2jky n GLU 70 Cb 0.56 -0.98 0.03 0.00 1.43 0.00 0.00 31.44 32.49 2jky n GLU 70 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2jky n ASP 71 N -4.02 -1.31 -1.48 -1.84 9.92 -1.26 -4.58 116.55 111.98 2jky n ASP 71 Ca 0.10 0.74 -0.03 0.00 -0.53 0.00 0.00 54.79 55.06 2jky n ASP 71 Cb 0.36 -1.13 -0.01 0.00 -0.64 0.00 0.00 41.12 39.70 2jky n ASP 71 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jky n LEU 72 N 0.78 -0.46 -3.06 0.64 -0.00 -1.26 -5.10 117.00 108.55 2jky n LEU 72 Ca 0.11 -2.25 -0.06 0.00 -0.00 0.00 0.00 56.01 53.81 2jky n LEU 72 Cb 0.47 0.04 0.01 0.00 -0.00 0.00 0.00 43.42 43.94 2jky n LEU 72 CO 0.52 1.28 0.18 0.59 -0.00 0.00 0.00 177.39 179.95 2jky n ASN 73 N -0.16 -7.56 0.00 1.45 4.13 -1.26 -5.20 115.26 106.65 2jky n ASN 73 Ca -0.17 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.17 2jky n ASN 73 Cb 0.84 -4.95 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 2jky n ASN 73 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2jky n VAL 82 N -1.25 0.00 -3.70 2.41 3.14 -1.26 -5.21 118.33 112.46 2jky n VAL 82 Ca 0.02 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.36 2jky n VAL 82 Cb 0.51 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.27 2jky n VAL 82 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2jky s GLY 83 N -0.56 -0.28 -0.18 7.55 0.00 -1.26 -5.14 107.32 107.45 2jky s GLY 83 Ca 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.81 2jky s GLY 83 CO 0.00 0.07 0.72 0.14 0.00 0.00 0.00 173.10 174.03 2jky s VAL 84 N -3.17 4.96 0.46 1.40 1.01 -1.26 -4.39 120.40 119.41 2jky s VAL 84 Ca 0.11 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.49 2jky s VAL 84 Cb -0.01 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2jky s VAL 84 CO -0.00 0.09 0.68 -0.54 0.00 0.00 0.00 175.10 175.32 2jky s LYS 85 N 1.93 2.97 -0.04 2.72 1.02 -0.65 -4.91 119.74 122.78 2jky s LYS 85 Ca 0.33 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 55.78 2jky s LYS 85 Cb -0.16 -2.56 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2jky s LYS 85 CO 0.12 -0.33 -0.14 0.14 -0.92 0.00 0.00 175.35 174.21 2jky s VAL 86 N -2.57 1.20 -0.17 3.17 -7.23 -1.26 -1.37 120.40 112.17 2jky s VAL 86 Ca 0.50 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 60.01 2jky s VAL 86 Cb -0.10 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2jky s VAL 86 CO 0.38 0.35 0.06 -0.55 -0.31 0.00 0.00 175.10 175.03 2jky s SER 87 N 0.12 5.68 -1.12 4.85 0.15 -0.27 -5.00 113.70 118.10 2jky s SER 87 Ca -0.04 0.12 -0.19 0.00 0.70 0.00 0.00 55.95 56.54 2jky s SER 87 Cb -0.11 -1.94 0.10 0.00 -1.71 0.00 0.00 66.02 62.36 2jky s SER 87 CO 0.02 0.21 1.47 -0.13 1.20 0.00 0.00 173.24 176.00 2jky s ARG 88 N 0.17 3.81 0.18 5.44 0.52 -1.26 -1.98 118.95 125.83 2jky s ARG 88 Ca 0.05 -1.81 -0.13 0.00 -0.52 0.00 0.00 55.73 53.31 2jky s ARG 88 Cb -0.12 -5.26 0.08 0.00 0.52 0.00 0.00 34.95 30.16 2jky s ARG 88 CO 0.00 -2.04 1.83 1.15 0.02 0.00 0.00 175.30 176.26 2jky h THR 89 N 5.80 1.16 -3.31 0.02 2.02 -1.72 -3.40 112.91 113.48 2jky h THR 89 Ca 0.29 -0.33 -0.38 0.00 0.77 0.00 0.00 66.41 66.75 2jky h THR 89 Cb 0.94 0.36 -0.39 0.00 -1.74 0.00 0.00 68.15 67.33 2jky h THR 89 CO 1.33 0.16 -0.75 -1.58 0.37 0.00 0.00 175.52 175.06 2jky s GLN 90 N -6.05 0.08 0.38 6.66 0.74 -0.98 -4.91 119.66 115.57 2jky s GLN 90 Ca -0.13 0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.64 2jky s GLN 90 Cb 0.13 -0.60 -0.03 0.00 1.10 0.00 0.00 33.01 33.61 2jky s GLN 90 CO 0.76 -0.31 0.18 -0.46 -0.55 0.00 0.00 175.29 174.90 2jky s TRP 91 N 2.07 1.75 -0.26 1.67 -0.11 -1.26 -0.17 118.94 122.63 2jky s TRP 91 Ca 0.04 -1.41 -0.18 0.00 1.22 0.00 0.00 56.10 55.77 2jky s TRP 91 Cb -0.12 -1.00 -0.03 0.00 -1.50 0.00 0.00 33.47 30.82 2jky s TRP 91 CO -0.03 -0.49 0.52 0.42 -4.62 0.00 0.00 176.95 172.74 2jky s ILE 92 N -3.32 5.07 -1.16 5.86 1.01 -1.26 -4.95 121.20 122.44 2jky s ILE 92 Ca 0.29 0.90 -0.18 0.00 0.00 0.00 0.00 60.65 61.67 2jky s ILE 92 Cb 0.03 -3.83 0.11 0.00 0.01 0.00 0.00 42.46 38.77 2jky s ILE 92 CO 0.19 0.09 1.49 -0.62 0.00 0.00 0.00 174.94 176.08 2jky s ASP 93 N 1.52 6.83 0.57 3.58 2.15 -1.26 -4.85 116.67 125.21 2jky s ASP 93 Ca 0.22 -2.40 0.28 0.00 0.43 0.00 0.00 52.55 51.08 2jky s ASP 93 Cb -0.16 -2.49 1.50 0.00 -0.30 0.00 0.00 42.92 41.48 2jky s ASP 93 CO 0.09 -1.07 1.98 1.88 -0.17 0.00 0.00 175.17 177.88 2jky h TYR 94 N 8.02 0.00 0.69 -5.34 0.05 -1.94 0.35 116.97 118.78 2jky h TYR 94 Ca 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.06 2jky h TYR 94 Cb 0.92 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.67 2jky h TYR 94 CO 1.25 0.00 -0.33 1.49 -1.05 0.00 0.00 178.16 179.52 2jky h GLU 95 N 0.00 -0.89 0.00 4.88 4.57 -1.90 -1.74 114.58 119.50 2jky h GLU 95 Ca 0.20 0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.37 2jky h GLU 95 Cb 0.98 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 2jky h GLU 95 CO -0.00 -0.56 -0.34 1.96 -1.18 0.00 0.00 179.01 178.89 2jky h GLN 96 N -1.14 0.00 0.00 1.92 1.08 -1.84 -3.09 115.11 112.04 2jky h GLN 96 Ca -0.09 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 2jky h GLN 96 Cb 0.74 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2jky h GLN 96 CO 0.15 0.34 -0.42 0.00 -0.95 0.00 0.00 178.83 177.95 2jky n LYS 98 N -3.42 -6.08 -3.66 0.00 4.76 -0.67 -4.99 118.16 104.09 2jky n LYS 98 Ca 0.00 0.70 -0.38 0.00 -2.87 0.00 0.00 58.31 55.76 2jky n LYS 98 Cb 0.59 -5.55 -0.12 0.00 -1.84 0.00 0.00 35.03 28.11 2jky n LYS 98 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2jky s LEU 99 N -6.94 4.09 -0.24 -0.35 2.96 -1.11 -5.07 118.68 112.03 2jky s LEU 99 Ca 0.32 -0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 2jky s LEU 99 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2jky s LEU 99 CO 0.78 -0.20 0.38 -1.81 -1.32 0.00 0.00 176.35 174.19 2jky s ASP 100 N 1.60 6.33 0.30 3.68 1.11 -1.26 -4.85 116.67 123.58 2jky s ASP 100 Ca 0.04 0.38 0.22 0.00 0.18 0.00 0.00 52.55 53.38 2jky s ASP 100 Cb -0.17 -2.22 0.14 0.00 1.07 0.00 0.00 42.92 41.74 2jky s ASP 100 CO 0.06 -0.13 1.29 -0.07 1.18 0.00 0.00 175.17 177.50 2jky h LEU 101 N 8.16 0.00 -9.39 1.23 3.38 -1.95 -3.44 115.31 113.30 2jky h LEU 101 Ca -0.34 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.06 2jky h LEU 101 Cb 1.16 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.94 2jky h LEU 101 CO 0.68 0.06 1.09 0.52 0.09 0.00 0.00 178.44 180.87 2jky n VAL 102 N -2.90 0.48 -0.99 1.22 0.31 -1.26 -2.19 118.33 113.01 2jky n VAL 102 Ca 0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2jky n VAL 102 Cb 0.57 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 2jky n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jky n GLY 103 N 4.25 0.48 3.93 2.92 0.00 0.19 -4.95 105.19 112.01 2jky n GLY 103 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2jky n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jky s LYS 104 N -0.32 3.46 -0.37 1.61 -0.14 -0.93 -4.92 119.74 118.14 2jky s LYS 104 Ca 0.00 -0.49 -0.20 0.00 -1.36 0.00 0.00 55.97 53.92 2jky s LYS 104 Cb 0.00 -2.95 0.01 0.00 -1.68 0.00 0.00 37.83 33.21 2jky s LYS 104 CO 0.00 0.51 0.60 -0.80 -0.76 0.00 0.00 175.35 174.90 2jky s ASN 105 N -3.04 6.37 -0.20 2.83 0.01 -1.26 -0.82 114.94 118.83 2jky s ASN 105 Ca 0.36 -0.02 -0.04 0.00 -0.71 0.00 0.00 52.86 52.45 2jky s ASN 105 Cb -0.11 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 2jky s ASN 105 CO 0.28 -0.60 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.55 2jky s VAL 106 N 2.63 3.57 -0.32 1.60 1.01 0.17 -0.30 120.40 128.76 2jky s VAL 106 Ca 0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 2jky s VAL 106 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2jky s VAL 106 CO 0.15 0.43 0.18 -0.22 0.00 0.00 0.00 175.10 175.64 2jky s LEU 107 N 1.18 4.26 -0.15 3.92 2.96 -0.93 0.51 118.68 130.42 2jky s LEU 107 Ca 0.02 -0.55 -0.21 0.00 -0.22 0.00 0.00 54.13 53.17 2jky s LEU 107 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2jky s LEU 107 CO -0.00 -0.22 0.65 -0.63 -1.32 0.00 0.00 176.35 174.82 2jky s ILE 108 N 1.63 5.04 -0.09 6.68 1.01 0.22 -0.81 121.20 134.88 2jky s ILE 108 Ca 0.05 1.26 0.04 0.00 0.00 0.00 0.00 60.65 62.00 2jky s ILE 108 Cb -0.17 -3.97 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 2jky s ILE 108 CO 0.07 0.16 -0.24 -0.69 0.00 0.00 0.00 174.94 174.25 2jky s VAL 109 N 1.50 2.02 0.30 2.92 1.01 0.31 -0.15 120.40 128.31 2jky s VAL 109 Ca 0.31 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2jky s VAL 109 Cb -0.16 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2jky s VAL 109 CO 0.12 0.55 0.34 -0.62 0.00 0.00 0.00 175.10 175.50 2jky s ASP 110 N 0.27 0.98 -0.12 3.32 -1.08 -0.95 -0.06 116.67 119.02 2jky s ASP 110 Ca -0.16 -1.53 -0.10 0.00 -0.52 0.00 0.00 52.55 50.24 2jky s ASP 110 Cb -0.17 0.57 -0.26 0.00 -1.46 0.00 0.00 42.92 41.60 2jky s ASP 110 CO 0.08 -1.11 0.39 1.05 0.52 0.00 0.00 175.17 176.09 2jky h GLU 111 N 2.23 0.25 -3.48 4.34 9.09 -1.87 -3.31 114.58 121.82 2jky h GLU 111 Ca -0.28 -0.42 -0.25 0.00 0.05 0.00 0.00 59.36 58.46 2jky h GLU 111 Cb 1.24 0.16 -0.31 0.00 -1.65 0.00 0.00 28.75 28.19 2jky h GLU 111 CO 0.40 1.20 -0.67 0.54 0.05 0.00 0.00 179.01 180.54 2jky s VAL 112 N -2.53 -0.03 -0.48 -1.06 0.11 -1.26 -1.82 120.40 113.32 2jky s VAL 112 Ca -0.22 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 58.75 2jky s VAL 112 Cb 0.06 -0.12 0.04 0.00 -1.53 0.00 0.00 36.38 34.83 2jky s VAL 112 CO 0.76 0.05 0.65 -0.62 -3.33 0.00 0.00 175.10 172.60 2jky s ASP 113 N 0.69 6.27 0.00 3.54 -1.08 0.51 -4.96 116.67 121.63 2jky s ASP 113 Ca -0.05 -0.64 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 2jky s ASP 113 Cb -0.08 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 2jky s ASP 113 CO -0.03 -0.86 0.00 -0.67 0.52 0.00 0.00 175.17 174.13 2jky n ASP 114 N 6.28 0.00 -0.53 -0.34 2.03 -1.26 -1.90 116.55 120.83 2jky n ASP 114 Ca -0.04 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.38 2jky n ASP 114 Cb 0.47 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.89 2jky n ASP 114 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jky n THR 115 N -1.31 0.00 -1.00 5.18 -2.24 -1.26 -4.74 114.28 108.92 2jky n THR 115 Ca 0.00 -0.28 -0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2jky n THR 115 Cb 0.00 1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2jky n THR 115 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2jky n ARG 116 N 0.08 -0.44 -0.04 -0.78 0.63 -1.26 -1.09 116.66 113.76 2jky n ARG 116 Ca 0.10 0.12 -0.15 0.00 -0.92 0.00 0.00 57.85 56.99 2jky n ARG 116 Cb 0.48 -3.45 -0.08 0.00 0.45 0.00 0.00 32.46 29.85 2jky n ARG 116 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2jky h THR 117 N 0.00 1.38 -0.33 5.15 1.35 -1.93 -1.99 112.91 116.53 2jky h THR 117 Ca -0.00 -1.73 0.02 0.00 -0.55 0.00 0.00 66.41 64.14 2jky h THR 117 Cb 0.22 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 2jky h THR 117 CO 0.00 0.51 0.19 0.74 -0.25 0.00 0.00 175.52 176.72 2jky h THR 118 N 0.04 1.03 -0.47 6.82 2.02 -1.98 -1.06 112.91 119.32 2jky h THR 118 Ca -0.02 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 2jky h THR 118 Cb 1.04 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2jky h THR 118 CO 0.08 0.07 0.04 -0.07 0.37 0.00 0.00 175.52 176.02 2jky h LEU 119 N 0.39 0.77 -0.59 2.58 3.38 -1.96 -0.06 115.31 119.82 2jky h LEU 119 Ca 0.13 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2jky h LEU 119 Cb 0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2jky h LEU 119 CO -0.07 0.86 0.34 -0.74 0.09 0.00 0.00 178.44 178.93 2jky h HIS 120 N 0.66 0.64 0.10 1.13 2.76 -1.08 -0.43 115.15 118.93 2jky h HIS 120 Ca 0.14 0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 58.06 2jky h HIS 120 Cb 0.44 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 2jky h HIS 120 CO 0.03 0.34 -1.28 1.88 -1.30 0.00 0.00 177.93 177.60 2jky h TYR 121 N 0.67 0.40 -0.18 5.26 0.05 -1.14 -1.73 116.97 120.30 2jky h TYR 121 Ca 0.25 -0.29 0.02 0.00 0.05 0.00 0.00 58.73 58.76 2jky h TYR 121 Cb 0.08 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2jky h TYR 121 CO -0.07 1.25 0.04 0.00 -1.05 0.00 0.00 178.16 178.33 2jky h ALA 122 N 0.63 0.18 -0.08 3.88 0.00 -0.91 0.91 119.26 123.89 2jky h ALA 122 Ca -0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jky h ALA 122 Cb 1.95 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2jky h ALA 122 CO 0.18 -0.39 0.05 1.25 0.00 0.00 0.00 179.25 180.34 2jky h LEU 123 N 0.12 0.09 -0.38 0.00 5.85 -1.10 -0.85 115.31 119.03 2jky h LEU 123 Ca 0.08 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2jky h LEU 123 Cb 0.07 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2jky h LEU 123 CO -0.10 0.08 0.01 -1.28 -0.34 0.00 0.00 178.44 176.80 2jky h SER 124 N 0.10 -0.13 -0.50 1.25 0.87 -1.11 0.26 113.55 114.29 2jky h SER 124 Ca 0.03 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2jky h SER 124 Cb -0.00 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2jky h SER 124 CO -0.01 -0.03 0.17 -0.33 -0.53 0.00 0.00 176.83 176.10 2jky h GLU 125 N 0.11 0.76 -0.19 2.24 4.39 -0.66 -1.78 114.58 119.46 2jky h GLU 125 Ca 0.19 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 2jky h GLU 125 Cb 0.26 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2jky h GLU 125 CO -0.30 0.70 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.76 2jky h LEU 126 N 0.67 0.47 -1.03 1.33 3.38 -0.79 -1.81 115.31 117.53 2jky h LEU 126 Ca 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2jky h LEU 126 Cb 0.25 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2jky h LEU 126 CO -0.01 0.84 0.37 -0.33 0.09 0.00 0.00 178.44 179.40 2jky h GLU 127 N 0.36 1.05 -0.34 1.13 5.08 -0.38 -1.06 114.58 120.43 2jky h GLU 127 Ca 0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jky h GLU 127 Cb 0.89 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2jky h GLU 127 CO 0.08 0.80 0.21 0.87 -1.00 0.00 0.00 179.01 179.97 2jky h LYS 128 N 1.05 0.46 -0.15 2.33 1.57 -0.96 -1.49 116.57 119.38 2jky h LYS 128 Ca 0.26 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2jky h LYS 128 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2jky h LYS 128 CO -0.04 0.33 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.73 2jky h ASP 129 N 0.45 -0.06 -0.15 0.86 3.32 -0.98 -1.55 116.42 118.32 2jky h ASP 129 Ca 0.12 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2jky h ASP 129 Cb -0.02 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2jky h ASP 129 CO -0.02 -0.01 0.05 0.00 -1.72 0.00 0.00 179.24 177.54 2jky h ALA 130 N 1.13 0.16 -0.43 3.45 0.00 -1.09 -1.68 119.26 120.81 2jky h ALA 130 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jky h ALA 130 Cb 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jky h ALA 130 CO -0.12 -0.39 0.24 0.00 0.00 0.00 0.00 179.25 178.98 2jky h ALA 131 N 1.09 0.55 -0.04 0.00 0.00 -1.21 -2.12 119.26 117.53 2jky h ALA 131 Ca 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jky h ALA 131 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jky h ALA 131 CO -0.06 0.07 -0.21 0.93 0.00 0.00 0.00 179.25 179.98 2jky h GLU 132 N 0.56 0.06 0.00 0.00 5.08 -1.09 -0.60 114.58 118.59 2jky h GLU 132 Ca 0.15 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 2jky h GLU 132 Cb 0.05 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2jky h GLU 132 CO -0.02 0.27 -0.84 1.96 -1.00 0.00 0.00 179.01 179.37 2jky h GLN 133 N 0.06 0.00 0.13 2.33 4.20 -1.12 -2.69 115.11 118.02 2jky h GLN 133 Ca 0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 2jky h GLN 133 Cb 0.40 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.21 2jky h GLN 133 CO 0.03 0.84 -1.05 0.00 -0.67 0.00 0.00 178.83 177.98 2jky h ALA 134 N 1.16 -0.05 0.00 3.87 0.00 -0.92 -3.23 119.26 120.09 2jky h ALA 134 Ca -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 2jky h ALA 134 Cb 1.57 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2jky h ALA 134 CO 0.11 0.54 -0.00 0.87 0.00 0.00 0.00 179.25 180.77 2jky h LYS 135 N 0.00 0.00 -0.01 0.00 1.57 -1.22 0.13 116.57 117.05 2jky h LYS 135 Ca -0.17 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 2jky h LYS 135 Cb 1.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.07 2jky h LYS 135 CO 0.20 0.00 -0.59 0.00 -0.57 0.00 0.00 179.45 178.49 2jky h ALA 136 N 2.00 1.01 -0.23 3.86 0.00 -1.52 -3.10 119.26 121.27 2jky h ALA 136 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jky h ALA 136 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jky h ALA 136 CO 0.00 0.73 0.00 1.63 0.00 0.00 0.00 179.25 181.61 2jky n LYS 137 N -3.84 2.37 -2.88 0.00 5.02 -0.95 -4.97 118.16 112.89 2jky n LYS 137 Ca -0.01 -2.03 -0.08 0.00 -2.02 0.00 0.00 58.31 54.16 2jky n LYS 137 Cb 0.59 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.14 2jky n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jky n GLY 138 N 1.42 0.41 3.56 0.72 0.00 -0.85 -5.04 105.19 105.41 2jky n GLY 138 Ca 0.17 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2jky n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jky s ILE 139 N -3.11 4.32 -0.44 -0.61 1.01 -0.02 -5.00 121.20 117.34 2jky s ILE 139 Ca 0.20 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 2jky s ILE 139 Cb -0.09 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.51 2jky s ILE 139 CO 0.26 0.47 0.34 -0.62 0.00 0.00 0.00 174.94 175.39 2jky s ASP 140 N 0.41 6.05 0.29 3.58 -1.08 -1.26 -4.24 116.67 120.42 2jky s ASP 140 Ca -0.00 -1.20 0.26 0.00 -0.52 0.00 0.00 52.55 51.08 2jky s ASP 140 Cb -0.13 -2.14 0.93 0.00 -1.46 0.00 0.00 42.92 40.12 2jky s ASP 140 CO 0.02 -0.56 1.76 0.71 0.52 0.00 0.00 175.17 177.62 2jky h THR 141 N 5.76 0.00 0.00 1.71 1.35 -1.95 0.11 112.91 119.89 2jky h THR 141 Ca -0.27 -0.39 -0.13 0.00 -0.55 0.00 0.00 66.41 65.07 2jky h THR 141 Cb 1.11 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 2jky h THR 141 CO 0.81 0.00 -1.06 -0.33 -0.25 0.00 0.00 175.52 174.68 2jky h GLU 142 N 0.00 0.00 0.15 4.72 4.39 -1.97 -3.15 114.58 118.72 2jky h GLU 142 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2jky h GLU 142 Cb 0.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2jky h GLU 142 CO 0.00 0.32 -1.82 -0.22 -1.16 0.00 0.00 179.01 176.12 2jky h LYS 143 N 0.00 0.33 -3.76 2.33 3.64 -1.91 -3.43 116.57 113.77 2jky h LYS 143 Ca -0.09 -0.56 -0.64 0.00 -1.27 0.00 0.00 60.65 58.09 2jky h LYS 143 Cb 1.45 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 33.07 2jky h LYS 143 CO 0.05 1.24 -0.69 -1.54 -2.27 0.00 0.00 179.45 176.24 2jky s SER 144 N -7.15 4.33 0.05 4.20 1.04 0.35 -4.99 113.70 111.54 2jky s SER 144 Ca -0.17 -2.55 0.24 0.00 0.48 0.00 0.00 55.95 53.94 2jky s SER 144 Cb 0.06 -1.47 0.97 0.00 0.10 0.00 0.00 66.02 65.68 2jky s SER 144 CO 0.82 -0.30 1.75 -0.81 0.98 0.00 0.00 173.24 175.68 2jky n PRO 145 N 3.71 0.06 0.19 4.02 -0.04 -1.19 -3.17 135.00 138.57 2jky n PRO 145 Ca 0.05 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 2jky n PRO 145 Cb 0.37 -1.58 0.50 0.00 -0.04 0.00 0.00 33.50 32.75 2jky n PRO 145 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2jky h GLU 146 N 0.00 0.00 -0.02 0.54 9.09 -1.94 -2.86 114.58 119.39 2jky h GLU 146 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2jky h GLU 146 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2jky h GLU 146 CO 0.00 0.00 -0.17 -1.33 0.05 0.00 0.00 179.01 177.56 2jky n MET 147 N -2.62 1.89 -2.14 1.06 2.81 -1.19 -4.60 117.12 112.32 2jky n MET 147 Ca 0.02 -1.55 -0.41 0.00 -1.81 0.00 0.00 57.70 53.95 2jky n MET 147 Cb 0.32 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 2jky n MET 147 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2jky s LYS 148 N -2.18 4.37 -0.01 0.03 2.20 -1.08 -0.63 119.74 122.43 2jky s LYS 148 Ca 0.25 2.17 -0.30 0.00 -0.36 0.00 0.00 55.97 57.73 2jky s LYS 148 Cb 0.19 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 2jky s LYS 148 CO 0.40 -0.21 1.04 0.99 -0.36 0.00 0.00 175.35 177.21 2jky s THR 149 N -0.73 4.66 -0.33 3.43 2.01 -1.26 -3.73 115.64 119.69 2jky s THR 149 Ca 0.52 1.92 -0.09 0.00 0.31 0.00 0.00 61.69 64.34 2jky s THR 149 Cb -0.39 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 67.90 2jky s THR 149 CO 0.48 0.11 0.15 0.21 -0.69 0.00 0.00 174.62 174.88 2jky s ASN 150 N 1.07 5.50 -0.11 3.53 2.47 -0.00 -4.98 114.94 122.41 2jky s ASN 150 Ca 0.53 -0.75 -0.10 0.00 0.42 0.00 0.00 52.86 52.95 2jky s ASN 150 Cb -0.22 -1.97 -0.05 0.00 -1.45 0.00 0.00 41.25 37.56 2jky s ASN 150 CO 0.26 -0.26 0.23 -0.36 -3.72 0.00 0.00 177.10 173.25 2jky s PHE 151 N 1.56 3.58 0.13 0.43 0.08 -1.26 0.44 117.98 122.94 2jky s PHE 151 Ca 0.03 0.62 0.06 0.00 0.12 0.00 0.00 56.93 57.76 2jky s PHE 151 Cb -0.18 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2jky s PHE 151 CO 0.05 0.57 -0.14 0.20 -0.10 0.00 0.00 175.22 175.80 2jky s GLY 152 N -0.58 1.14 -0.10 4.36 0.00 0.18 -4.93 107.32 107.40 2jky s GLY 152 Ca 0.16 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2jky s GLY 152 CO 0.05 -1.42 -0.18 -0.42 0.00 0.00 0.00 173.10 171.13 2jky s ILE 153 N -2.28 1.68 -0.12 0.90 1.01 -0.52 0.72 121.20 122.59 2jky s ILE 153 Ca 0.11 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.00 2jky s ILE 153 Cb -0.04 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2jky s ILE 153 CO 0.03 0.48 -0.17 0.12 0.00 0.00 0.00 174.94 175.40 2jky s PHE 154 N 0.67 2.73 0.05 3.97 5.36 0.79 0.84 117.98 132.38 2jky s PHE 154 Ca -0.13 -0.81 0.02 0.00 -0.96 0.00 0.00 56.93 55.05 2jky s PHE 154 Cb -0.16 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 2jky s PHE 154 CO 0.03 -0.30 -0.07 0.54 -1.46 0.00 0.00 175.22 173.96 2jky s VAL 155 N 0.38 0.50 -0.07 3.12 0.11 0.46 -2.25 120.40 122.65 2jky s VAL 155 Ca -0.13 -1.21 -0.25 0.00 -2.93 0.00 0.00 61.98 57.46 2jky s VAL 155 Cb -0.17 -0.75 -0.25 0.00 -1.53 0.00 0.00 36.38 33.69 2jky s VAL 155 CO 0.06 -0.49 0.97 -0.07 -3.33 0.00 0.00 175.10 172.25 2jky h LEU 156 N 4.25 0.20 -8.01 2.54 3.38 -1.47 0.91 115.31 117.11 2jky h LEU 156 Ca -0.35 -0.83 -0.54 0.00 0.09 0.00 0.00 57.88 56.25 2jky h LEU 156 Cb 1.20 -0.06 -0.34 0.00 0.09 0.00 0.00 40.66 41.55 2jky h LEU 156 CO 0.45 1.00 -0.82 -1.00 0.09 0.00 0.00 178.44 178.16 2jky s HIS 157 N -2.92 1.62 -0.36 1.13 3.76 -0.76 -1.24 115.29 116.52 2jky s HIS 157 Ca -0.16 -0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 54.09 2jky s HIS 157 Cb 0.00 -1.18 0.08 0.00 1.11 0.00 0.00 32.58 32.60 2jky s HIS 157 CO 0.74 -0.32 0.12 0.34 -0.85 0.00 0.00 174.74 174.76 2jky s ASP 158 N 0.72 5.11 0.19 1.40 2.15 -0.89 -0.37 116.67 124.98 2jky s ASP 158 Ca -0.13 -1.71 -0.31 0.00 0.43 0.00 0.00 52.55 50.83 2jky s ASP 158 Cb -0.16 -1.78 -0.10 0.00 -0.30 0.00 0.00 42.92 40.59 2jky s ASP 158 CO 0.03 -0.42 1.48 -0.54 -0.17 0.00 0.00 175.17 175.55 2jky s LYS 159 N 1.19 4.26 0.00 4.34 1.02 -0.80 -1.44 119.74 128.31 2jky s LYS 159 Ca 0.03 2.28 0.00 0.00 0.02 0.00 0.00 55.97 58.30 2jky s LYS 159 Cb -0.21 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2jky s LYS 159 CO -0.03 -0.49 0.54 0.00 -0.92 0.00 0.00 175.35 174.45 2jky n GLN 160 N 3.28 0.83 -1.56 1.68 10.64 -0.08 -4.86 117.38 127.32 2jky n GLN 160 Ca 0.10 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.97 2jky n GLN 160 Cb 0.40 -1.29 0.08 0.00 -0.86 0.00 0.00 30.24 28.57 2jky n GLN 160 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2jky s LYS 161 N -1.29 2.21 0.15 2.61 -2.85 -1.26 -4.94 119.74 114.37 2jky s LYS 161 Ca 0.00 0.68 -0.31 0.00 -1.00 0.00 0.00 55.97 55.34 2jky s LYS 161 Cb 0.00 -1.93 -0.09 0.00 -2.06 0.00 0.00 37.83 33.75 2jky s LYS 161 CO 0.00 -1.54 1.47 -1.25 0.10 0.00 0.00 175.35 174.13 2jky s PRO 162 N -5.14 4.27 0.36 1.78 0.04 -1.26 -5.00 135.00 130.04 2jky s PRO 162 Ca 0.60 2.22 -0.20 0.00 0.04 0.00 0.00 61.00 63.67 2jky s PRO 162 Cb -0.14 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 2jky s PRO 162 CO 0.54 -0.51 0.87 0.15 0.04 0.00 0.00 177.00 178.09 2jky s LYS 163 N 1.00 4.22 0.10 4.56 -0.14 -1.26 -4.91 119.74 123.30 2jky s LYS 163 Ca 0.67 1.00 0.24 0.00 -1.36 0.00 0.00 55.97 56.51 2jky s LYS 163 Cb -0.40 -2.41 0.24 0.00 -1.68 0.00 0.00 37.83 33.58 2jky s LYS 163 CO 0.32 0.11 1.22 1.63 -0.76 0.00 0.00 175.35 177.86 2jky n LYS 164 N -0.26 0.30 -3.97 1.68 5.02 -0.25 -4.92 118.16 115.76 2jky n LYS 164 Ca 0.04 0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 2jky n LYS 164 Cb 0.53 -1.66 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 2jky n LYS 164 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jky s ALA 165 N -3.19 0.12 0.49 7.82 0.00 -0.95 -4.97 121.76 121.09 2jky s ALA 165 Ca 0.05 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2jky s ALA 165 Cb 0.14 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.61 2jky s ALA 165 CO 0.75 -0.41 0.38 0.16 0.00 0.00 0.00 175.76 176.64 2jky s ASP 166 N -2.74 4.75 0.16 0.00 1.47 -1.26 -4.66 116.67 114.39 2jky s ASP 166 Ca 0.04 -1.06 0.06 0.00 1.18 0.00 0.00 52.55 52.77 2jky s ASP 166 Cb 0.05 -0.01 -0.04 0.00 -0.34 0.00 0.00 42.92 42.57 2jky s ASP 166 CO -0.09 -0.90 -0.13 -0.76 0.68 0.00 0.00 175.17 173.97 2jky s LEU 167 N -4.20 2.51 0.20 2.11 1.43 -1.26 -4.61 118.68 114.86 2jky s LEU 167 Ca 0.40 -0.96 -0.32 0.00 -1.03 0.00 0.00 54.13 52.22 2jky s LEU 167 Cb -0.02 -0.52 -0.14 0.00 0.03 0.00 0.00 46.19 45.54 2jky s LEU 167 CO 0.24 -0.22 1.34 -2.65 0.23 0.00 0.00 176.35 175.29 2jky n PRO 168 N -0.07 1.69 -0.28 1.29 -0.02 -1.26 -4.73 135.00 131.62 2jky n PRO 168 Ca -0.11 0.60 0.05 0.00 -2.02 0.00 0.00 63.50 62.03 2jky n PRO 168 Cb 0.60 -2.22 0.19 0.00 -0.02 0.00 0.00 33.50 32.05 2jky n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jky h ALA 169 N 4.14 1.19 -0.74 3.55 0.00 -1.99 0.15 119.26 125.56 2jky h ALA 169 Ca -0.45 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jky h ALA 169 Cb 1.30 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2jky h ALA 169 CO 0.75 -0.04 0.48 1.05 0.00 0.00 0.00 179.25 181.49 2jky h GLU 170 N 0.65 0.95 -0.11 0.00 4.11 -1.98 -0.97 114.58 117.22 2jky h GLU 170 Ca 0.43 -0.06 -0.22 0.00 0.07 0.00 0.00 59.36 59.58 2jky h GLU 170 Cb 0.54 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jky h GLU 170 CO -0.32 0.63 -0.82 1.98 0.07 0.00 0.00 179.01 180.55 2jky h MET 171 N 0.97 0.71 -0.12 1.06 4.05 -1.66 -3.25 114.93 116.69 2jky h MET 171 Ca 0.28 -0.61 -0.20 0.00 -0.28 0.00 0.00 59.70 58.89 2jky h MET 171 Cb -0.08 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2jky h MET 171 CO -0.07 1.22 -0.72 1.25 0.23 0.00 0.00 176.91 178.81 2jky h LEU 172 N 0.47 0.68 -0.71 3.39 5.85 -0.51 -3.07 115.31 121.41 2jky h LEU 172 Ca -0.06 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2jky h LEU 172 Cb 1.44 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2jky h LEU 172 CO 0.16 1.19 0.00 -0.46 -0.34 0.00 0.00 178.44 179.00 2jky n ASN 173 N -3.89 1.09 -4.53 1.25 0.23 -0.39 -4.82 115.26 104.20 2jky n ASN 173 Ca -0.05 -1.43 -0.36 0.00 -0.53 0.00 0.00 54.58 52.21 2jky n ASN 173 Cb 0.71 -0.02 -0.11 0.00 -2.08 0.00 0.00 39.78 38.27 2jky n ASN 173 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jky s ASP 174 N -1.88 5.37 0.01 0.53 -1.08 -1.17 -4.98 116.67 113.48 2jky s ASP 174 Ca 0.38 -0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 2jky s ASP 174 Cb 0.20 -1.95 1.10 0.00 -1.46 0.00 0.00 42.92 40.81 2jky s ASP 174 CO 0.32 0.06 1.83 0.29 0.52 0.00 0.00 175.17 178.19 2jky n LYS 175 N 4.32 0.01 -0.40 4.34 4.01 -1.26 -1.99 118.16 127.18 2jky n LYS 175 Ca -0.16 0.06 0.09 0.00 -0.51 0.00 0.00 58.31 57.79 2jky n LYS 175 Cb 0.52 -1.52 0.27 0.00 -0.51 0.00 0.00 35.03 33.79 2jky n LYS 175 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2jky n ASN 176 N -1.54 3.91 0.01 4.39 3.02 -1.26 -4.57 115.26 119.21 2jky n ASN 176 Ca 0.06 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 2jky n ASN 176 Cb 0.31 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2jky n ASN 176 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jky n ARG 177 N 0.84 0.00 -3.55 3.52 5.12 -1.11 -4.56 116.66 116.92 2jky n ARG 177 Ca 0.21 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.74 2jky n ARG 177 Cb 0.69 -0.44 -0.11 0.00 -1.16 0.00 0.00 32.46 31.44 2jky n ARG 177 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2jky s TYR 178 N -2.00 3.22 -0.33 -1.55 5.04 -0.84 -1.44 117.35 119.45 2jky s TYR 178 Ca 0.00 0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.76 2jky s TYR 178 Cb 0.00 -2.43 0.09 0.00 0.35 0.00 0.00 41.96 39.96 2jky s TYR 178 CO 0.00 -0.21 0.04 -0.06 -1.34 0.00 0.00 175.55 173.98 2jky s PHE 179 N 1.81 3.54 -0.34 4.97 0.08 0.25 -4.55 117.98 123.75 2jky s PHE 179 Ca 0.08 -2.56 -0.08 0.00 0.12 0.00 0.00 56.93 54.50 2jky s PHE 179 Cb -0.16 -2.64 0.03 0.00 -0.57 0.00 0.00 43.02 39.68 2jky s PHE 179 CO 0.11 -0.92 0.12 0.00 -0.10 0.00 0.00 175.22 174.44 2jky s ALA 180 N 1.05 3.10 0.27 5.36 0.00 -1.26 -0.41 121.76 129.88 2jky s ALA 180 Ca 0.03 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.31 2jky s ALA 180 Cb -0.20 -2.32 0.61 0.00 0.00 0.00 0.00 23.12 21.21 2jky s ALA 180 CO -0.05 -1.26 1.68 0.00 0.00 0.00 0.00 175.76 176.12 2jky h ALA 181 N 8.27 1.18 -2.80 0.00 0.00 -0.84 -3.40 119.26 121.68 2jky h ALA 181 Ca -0.25 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2jky h ALA 181 Cb 1.10 0.23 -0.30 0.00 0.00 0.00 0.00 17.79 18.82 2jky h ALA 181 CO 0.62 -0.37 -0.46 0.21 0.00 0.00 0.00 179.25 179.25 2jky s LYS 182 N -5.97 0.23 -0.29 0.00 2.20 -0.38 -5.00 119.74 110.53 2jky s LYS 182 Ca -0.12 0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 55.96 2jky s LYS 182 Cb 0.24 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2jky s LYS 182 CO 0.77 -0.23 1.17 0.99 -0.36 0.00 0.00 175.35 177.68 2jky s THR 183 N 2.07 4.37 0.26 3.43 2.01 -1.26 -2.11 115.64 124.40 2jky s THR 183 Ca -0.03 1.58 0.12 0.00 0.31 0.00 0.00 61.69 63.66 2jky s THR 183 Cb -0.11 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2jky s THR 183 CO -0.10 -0.43 -0.21 0.68 -0.69 0.00 0.00 174.62 173.87 2jky s VAL 184 N 3.86 2.43 0.86 3.82 -7.23 -0.52 -4.93 120.40 118.69 2jky s VAL 184 Ca 0.50 -2.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 2jky s VAL 184 Cb -0.15 -2.25 0.11 0.00 0.56 0.00 0.00 36.38 34.65 2jky s VAL 184 CO 0.18 -0.35 1.15 -2.16 -0.31 0.00 0.00 175.10 173.61 2jky s PRO 185 N -3.33 1.41 -1.14 4.82 0.04 -1.26 -0.90 135.00 134.65 2jky s PRO 185 Ca 0.28 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 2jky s PRO 185 Cb -0.05 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2jky s PRO 185 CO 0.14 -2.34 1.76 0.34 0.04 0.00 0.00 177.00 176.93 2jky s ASP 186 N -2.65 6.00 0.15 6.66 2.15 -1.26 -4.61 116.67 123.11 2jky s ASP 186 Ca 0.67 -1.71 0.01 0.00 0.43 0.00 0.00 52.55 51.96 2jky s ASP 186 Cb -0.23 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.77 2jky s ASP 186 CO 0.55 -2.01 0.01 -0.54 -0.17 0.00 0.00 175.17 173.01 2jky s LYS 187 N 5.46 1.00 -0.22 4.34 1.02 -1.26 -5.07 119.74 125.01 2jky s LYS 187 Ca 0.59 -1.47 -0.25 0.00 0.02 0.00 0.00 55.97 54.86 2jky s LYS 187 Cb 0.00 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 2jky s LYS 187 CO 0.04 -0.15 0.84 -0.46 -0.92 0.00 0.00 175.35 174.69 2jky s TRP 188 N -3.77 3.35 -0.23 3.18 -0.11 -1.26 -4.97 118.94 115.13 2jky s TRP 188 Ca 0.22 1.19 -0.09 0.00 1.22 0.00 0.00 56.10 58.63 2jky s TRP 188 Cb 0.06 -3.04 -0.04 0.00 -1.50 0.00 0.00 33.47 28.95 2jky s TRP 188 CO 0.02 -0.35 0.12 0.71 -4.62 0.00 0.00 176.95 172.83 2jky s TYR 189 N 2.61 3.26 -0.34 5.86 1.51 -1.26 -0.47 117.35 128.53 2jky s TYR 189 Ca 0.36 0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 56.35 2jky s TYR 189 Cb -0.16 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.47 2jky s TYR 189 CO 0.09 0.03 0.45 0.00 -1.11 0.00 0.00 175.55 175.01 2jky s ALA 190 N 0.96 3.49 0.19 3.71 0.00 0.32 -4.93 121.76 125.50 2jky s ALA 190 Ca 0.06 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 2jky s ALA 190 Cb -0.13 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 2jky s ALA 190 CO 0.03 -1.14 0.60 0.71 0.00 0.00 0.00 175.76 175.97 2jky s TYR 191 N 2.24 3.56 0.50 0.00 2.02 -1.26 -0.53 117.35 123.89 2jky s TYR 191 Ca 0.16 1.11 0.15 0.00 -0.37 0.00 0.00 57.07 58.12 2jky s TYR 191 Cb -0.16 -2.41 1.21 0.00 -0.40 0.00 0.00 41.96 40.20 2jky s TYR 191 CO 0.12 0.35 2.13 -1.00 -1.57 0.00 0.00 175.55 175.59 2jky h PRO 192 N 3.24 0.06 0.00 -1.71 0.13 -1.85 -1.19 132.00 130.68 2jky h PRO 192 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jky h PRO 192 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jky h PRO 192 CO 0.66 0.05 0.00 -2.67 -0.23 0.00 0.00 178.00 175.81 2jky n TRP 193 N -4.52 0.18 1.18 1.56 2.14 -1.26 -2.52 117.44 114.20 2jky n TRP 193 Ca -0.02 0.06 0.13 0.00 2.07 0.00 0.00 57.50 59.74 2jky n TRP 193 Cb 0.10 -0.60 0.34 0.00 -0.81 0.00 0.00 31.31 30.34 2jky n TRP 193 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2jky n GLU 194 N -1.66 0.61 -3.35 -2.67 1.02 -0.45 -4.94 120.64 109.21 2jky n GLU 194 Ca 0.05 -0.36 -0.38 0.00 -0.02 0.00 0.00 57.16 56.45 2jky n GLU 194 Cb 0.29 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 2jky n GLU 194 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jky s SER 195 N -2.63 6.90 0.00 1.62 0.15 -1.05 -4.96 113.70 113.73 2jky s SER 195 Ca 0.21 1.07 0.21 0.00 0.70 0.00 0.00 55.95 58.14 2jky s SER 195 Cb 0.19 -2.31 0.14 0.00 -1.71 0.00 0.00 66.02 62.32 2jky s SER 195 CO 0.57 0.23 1.13 0.35 1.20 0.00 0.00 173.24 176.72 2jky n THR 196 N 2.20 0.00 -3.47 6.45 -2.24 -1.26 -4.65 114.28 111.30 2jky n THR 196 Ca -0.11 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 2jky n THR 196 Cb 0.51 1.40 -0.11 0.00 -2.10 0.00 0.00 70.33 70.03 2jky n THR 196 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jky s ASP 197 N -1.82 2.39 0.38 3.42 -1.08 -1.26 -5.01 116.67 113.70 2jky s ASP 197 Ca 0.23 -2.71 0.20 0.00 -0.52 0.00 0.00 52.55 49.74 2jky s ASP 197 Cb 0.17 -0.53 0.66 0.00 -1.46 0.00 0.00 42.92 41.77 2jky s ASP 197 CO 0.30 -0.23 1.72 -0.29 0.52 0.00 0.00 175.17 177.19 2jky h ILE 198 N 4.83 0.78 0.50 4.11 6.09 -1.93 -1.70 117.51 130.19 2jky h ILE 198 Ca 0.15 -1.50 -0.02 0.00 -1.37 0.00 0.00 64.86 62.12 2jky h ILE 198 Cb 0.93 1.95 0.00 0.00 0.47 0.00 0.00 36.82 40.17 2jky h ILE 198 CO 0.35 0.34 -0.24 0.58 -3.07 0.00 0.00 178.15 176.11 2jky h VAL 199 N 0.00 0.45 -0.40 2.19 2.07 -1.99 -0.03 116.25 118.54 2jky h VAL 199 Ca -0.00 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.27 2jky h VAL 199 Cb 0.92 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2jky h VAL 199 CO 0.05 0.05 0.12 0.15 0.02 0.00 0.00 177.57 177.95 2jky h PHE 200 N -0.87 0.20 -0.46 1.57 3.57 -1.99 -1.37 116.94 117.59 2jky h PHE 200 Ca -0.07 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.53 2jky h PHE 200 Cb 0.59 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 2jky h PHE 200 CO -0.00 0.06 0.08 1.25 -2.23 0.00 0.00 178.31 177.47 2jky h HIS 201 N 0.26 0.13 -0.34 0.41 2.76 -1.25 -1.90 115.15 115.21 2jky h HIS 201 Ca 0.19 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.24 2jky h HIS 201 Cb 0.19 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2jky h HIS 201 CO -0.17 -0.01 -0.37 1.15 -1.30 0.00 0.00 177.93 177.23 2jky h THR 202 N 0.21 1.28 -0.36 6.26 2.02 -0.78 -1.80 112.91 119.74 2jky h THR 202 Ca 0.23 -1.54 0.05 0.00 0.77 0.00 0.00 66.41 65.92 2jky h THR 202 Cb 0.29 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 2jky h THR 202 CO -0.30 0.50 0.11 0.03 0.37 0.00 0.00 175.52 176.23 2jky h ARG 203 N 0.65 0.24 -0.64 6.66 2.47 -0.88 -1.04 114.38 121.84 2jky h ARG 203 Ca 0.06 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 2jky h ARG 203 Cb 0.92 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.16 2jky h ARG 203 CO 0.08 0.16 0.22 0.52 0.56 0.00 0.00 179.97 181.51 2jky h MET 204 N 0.24 0.98 -0.40 0.04 2.86 -1.30 -1.95 114.93 115.41 2jky h MET 204 Ca 0.17 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2jky h MET 204 Cb 0.16 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2jky h MET 204 CO -0.19 0.85 0.24 0.00 1.06 0.00 0.00 176.91 178.87 2jky h ALA 205 N 1.08 0.51 -0.37 6.32 0.00 -0.87 0.30 119.26 126.23 2jky h ALA 205 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2jky h ALA 205 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jky h ALA 205 CO -0.01 0.01 0.10 0.82 0.00 0.00 0.00 179.25 180.17 2jky h ILE 206 N 0.52 1.22 -0.69 0.00 2.04 -1.18 0.44 117.51 119.86 2jky h ILE 206 Ca 0.14 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2jky h ILE 206 Cb 0.01 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2jky h ILE 206 CO -0.03 0.26 0.41 -0.08 0.00 0.00 0.00 178.15 178.71 2jky h GLU 207 N 0.45 0.94 -0.00 2.37 4.81 -1.11 -2.42 114.58 119.62 2jky h GLU 207 Ca 0.12 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jky h GLU 207 Cb 0.29 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2jky h GLU 207 CO -0.00 0.67 -0.26 1.04 -0.73 0.00 0.00 179.01 179.73 2jky n GLN 208 N -4.39 0.35 -1.03 1.92 6.02 0.07 -4.93 117.38 115.40 2jky n GLN 208 Ca 0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2jky n GLN 208 Cb 0.08 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.84 2jky n GLN 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jky n GLY 209 N 1.41 0.41 2.73 1.08 0.00 -0.75 -4.96 105.19 105.11 2jky n GLY 209 Ca 0.09 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 2jky n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jky n ASN 210 N 1.90 7.58 -3.68 1.61 3.02 0.15 -4.79 115.26 121.05 2jky n ASN 210 Ca 0.00 -3.82 -0.14 0.00 -0.03 0.00 0.00 54.58 50.58 2jky n ASN 210 Cb 0.04 -1.04 -0.08 0.00 -0.61 0.00 0.00 39.78 38.09 2jky n ASN 210 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jky s ASP 211 N -1.33 -0.48 -1.08 6.41 2.15 -1.24 -2.95 116.67 118.16 2jky s ASP 211 Ca 0.56 0.75 -0.13 0.00 0.43 0.00 0.00 52.55 54.16 2jky s ASP 211 Cb 0.46 0.77 0.13 0.00 -0.30 0.00 0.00 42.92 43.98 2jky s ASP 211 CO -0.29 -0.33 0.35 0.00 -0.17 0.00 0.00 175.17 174.73 2jky n ILE 212 N 2.06 -0.10 0.09 4.11 3.06 -1.26 -4.70 119.36 122.62 2jky n ILE 212 Ca -0.16 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.09 2jky n ILE 212 Cb 0.56 -0.43 0.04 0.00 0.54 0.00 0.00 39.64 40.35 2jky n ILE 212 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 2jky n PHE 213 N -3.43 0.00 -1.10 9.51 -1.74 -1.26 -5.11 117.46 114.34 2jky n PHE 213 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 2jky n PHE 213 Cb 0.48 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.47 2jky n PHE 213 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64