#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkf s SER 6 N 0.00 6.25 0.48 7.72 0.15 -1.26 -4.94 113.70 122.11 2jkf s SER 6 Ca 0.00 -0.72 0.31 0.00 0.70 0.00 0.00 55.95 56.24 2jkf s SER 6 Cb 0.00 -2.40 1.25 0.00 -1.71 0.00 0.00 66.02 63.15 2jkf s SER 6 CO 0.00 -1.25 1.91 -0.50 1.20 0.00 0.00 173.24 174.60 2jkf h TRP 7 N 9.35 0.00 0.01 3.44 4.06 -2.00 -3.20 115.95 127.62 2jkf h TRP 7 Ca -0.27 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.69 2jkf h TRP 7 Cb 1.08 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 2jkf h TRP 7 CO 0.90 0.00 -0.13 -0.44 -3.56 0.00 0.00 178.44 175.22 2jkf h ASP 8 N 0.00 -0.37 -0.28 -3.49 5.19 -1.92 0.13 116.42 115.68 2jkf h ASP 8 Ca 0.00 0.05 0.06 0.00 -0.62 0.00 0.00 57.03 56.52 2jkf h ASP 8 Cb 0.50 0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.09 2jkf h ASP 8 CO 0.00 -0.18 -0.42 0.28 -3.12 0.00 0.00 179.24 175.79 2jkf h SER 9 N -0.23 -1.37 -0.10 6.45 0.02 -1.97 -1.03 113.55 115.32 2jkf h SER 9 Ca 0.04 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2jkf h SER 9 Cb 0.28 0.58 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2jkf h SER 9 CO -0.12 -0.39 0.06 0.22 -1.14 0.00 0.00 176.83 175.45 2jkf h TYR 10 N -0.40 0.10 -0.92 3.45 3.20 -1.62 -0.38 116.97 120.39 2jkf h TYR 10 Ca 0.11 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2jkf h TYR 10 Cb 0.60 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2jkf h TYR 10 CO -0.56 0.06 0.57 -0.07 -1.64 0.00 0.00 178.16 176.52 2jkf h LEU 11 N 0.12 1.10 -0.04 2.82 3.38 -0.49 0.26 115.31 122.45 2jkf h LEU 11 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jkf h LEU 11 Cb -0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2jkf h LEU 11 CO -0.02 0.83 -0.03 -1.13 0.09 0.00 0.00 178.44 178.19 2jkf h ASN 12 N 1.27 0.10 -0.38 -0.43 -0.73 -0.90 -0.23 115.58 114.28 2jkf h ASN 12 Ca 0.33 -0.43 -0.12 0.00 1.87 0.00 0.00 56.30 57.95 2jkf h ASN 12 Cb -0.08 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2jkf h ASN 12 CO -0.06 0.51 -0.24 0.44 -0.37 0.00 0.00 177.43 177.71 2jkf h ASP 13 N -0.31 0.86 0.89 1.15 3.32 -0.85 0.43 116.42 121.90 2jkf h ASP 13 Ca 0.01 -0.43 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 2jkf h ASP 13 Cb 0.48 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2jkf h ASP 13 CO 0.01 1.10 -1.19 0.03 -1.72 0.00 0.00 179.24 177.47 2jkf h ARG 14 N 0.62 0.00 0.00 3.56 2.47 -1.01 -3.38 114.38 116.64 2jkf h ARG 14 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2jkf h ARG 14 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2jkf h ARG 14 CO 0.07 0.28 -0.65 -0.11 0.56 0.00 0.00 179.97 180.11 2jkf n LEU 15 N -2.92 0.48 0.14 3.04 7.94 -0.21 -4.78 117.00 120.70 2jkf n LEU 15 Ca -0.06 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.85 2jkf n LEU 15 Cb 0.78 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.87 2jkf n LEU 15 CO 0.42 -0.05 0.49 0.25 -1.11 0.00 0.00 177.39 177.39 2jkf h LEU 16 N 0.00 0.00 -1.50 -1.96 5.85 -1.00 -2.79 115.31 113.91 2jkf h LEU 16 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jkf h LEU 16 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2jkf h LEU 16 CO 0.00 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.68 2jkf h ALA 17 N 1.42 1.00 0.00 1.25 0.00 -1.10 -2.53 119.26 119.30 2jkf h ALA 17 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jkf h ALA 17 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jkf h ALA 17 CO 0.08 0.00 -0.10 1.79 0.00 0.00 0.00 179.25 181.01 2jkf h THR 18 N 0.00 0.31 -0.29 0.00 1.35 -1.78 -3.47 112.91 109.02 2jkf h THR 18 Ca 0.00 -0.70 -0.13 0.00 -0.55 0.00 0.00 66.41 65.04 2jkf h THR 18 Cb 0.21 1.53 -0.05 0.00 -1.73 0.00 0.00 68.15 68.11 2jkf h THR 18 CO 0.00 0.10 -0.11 0.59 -0.25 0.00 0.00 175.52 175.85 2jkf n ASN 19 N -3.30 -5.10 -0.02 5.36 5.03 -0.95 -4.87 115.26 111.41 2jkf n ASN 19 Ca -0.00 0.15 0.08 0.00 0.87 0.00 0.00 54.58 55.68 2jkf n ASN 19 Cb 0.32 -3.14 -0.09 0.00 -1.02 0.00 0.00 39.78 35.85 2jkf n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jkf n GLN 20 N -1.02 1.31 -4.22 3.52 1.13 -1.26 -4.86 117.38 111.98 2jkf n GLN 20 Ca -0.06 -0.05 -0.18 0.00 -1.94 0.00 0.00 57.00 54.77 2jkf n GLN 20 Cb 0.43 -1.32 -0.11 0.00 0.11 0.00 0.00 30.24 29.35 2jkf n GLN 20 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2jkf s VAL 21 N -2.60 1.25 -0.65 5.09 -7.23 -1.26 -4.28 120.40 110.71 2jkf s VAL 21 Ca 0.07 -1.60 0.23 0.00 -1.81 0.00 0.00 61.98 58.87 2jkf s VAL 21 Cb 0.13 -1.40 -0.12 0.00 0.56 0.00 0.00 36.38 35.55 2jkf s VAL 21 CO 0.70 -0.37 1.03 -1.54 -0.31 0.00 0.00 175.10 174.60 2jkf n SER 22 N 0.74 0.62 -3.57 4.85 3.41 -0.52 -4.77 113.62 114.39 2jkf n SER 22 Ca -0.17 -0.27 -0.06 0.00 -0.26 0.00 0.00 58.87 58.11 2jkf n SER 22 Cb 0.56 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 2jkf n SER 22 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jkf s GLY 23 N -3.58 -0.31 -0.22 5.00 0.00 -1.24 -0.29 107.32 106.68 2jkf s GLY 23 Ca 0.04 1.58 -0.19 0.00 0.00 0.00 0.00 44.72 46.16 2jkf s GLY 23 CO 0.80 0.58 0.57 0.00 0.00 0.00 0.00 173.10 175.05 2jkf s ALA 24 N -2.35 -1.43 0.14 3.20 0.00 -0.57 -1.25 121.76 119.50 2jkf s ALA 24 Ca 0.07 1.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.64 2jkf s ALA 24 Cb -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 2jkf s ALA 24 CO -0.05 -0.28 0.22 0.20 0.00 0.00 0.00 175.76 175.84 2jkf s GLY 25 N 0.52 0.47 -0.15 0.00 0.00 0.78 -0.86 107.32 108.08 2jkf s GLY 25 Ca -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 2jkf s GLY 25 CO -0.02 -0.93 -0.08 1.08 0.00 0.00 0.00 173.10 173.15 2jkf s LEU 26 N -2.95 2.98 0.11 0.66 1.43 -0.24 -0.10 118.68 120.56 2jkf s LEU 26 Ca 0.15 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2jkf s LEU 26 Cb 0.04 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2jkf s LEU 26 CO -0.03 0.14 -0.08 0.00 0.23 0.00 0.00 176.35 176.62 2jkf s ALA 27 N 0.50 3.02 0.29 4.21 0.00 0.12 -0.37 121.76 129.53 2jkf s ALA 27 Ca -0.06 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.39 2jkf s ALA 27 Cb -0.15 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 2jkf s ALA 27 CO 0.03 0.65 1.01 0.45 0.00 0.00 0.00 175.76 177.90 2jkf s SER 28 N -2.26 7.32 0.15 0.00 0.15 -1.18 -0.24 113.70 117.65 2jkf s SER 28 Ca 0.22 2.05 0.22 0.00 0.70 0.00 0.00 55.95 59.15 2jkf s SER 28 Cb -0.11 -2.61 0.88 0.00 -1.71 0.00 0.00 66.02 62.48 2jkf s SER 28 CO 0.15 -0.09 1.68 1.21 1.20 0.00 0.00 173.24 177.39 2jkf n GLU 29 N 0.97 0.13 0.09 5.44 2.13 -0.42 0.28 120.64 129.26 2jkf n GLU 29 Ca 0.00 0.30 -0.13 0.00 0.66 0.00 0.00 57.16 57.99 2jkf n GLU 29 Cb 0.47 -1.72 -0.11 0.00 0.27 0.00 0.00 31.44 30.35 2jkf n GLU 29 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2jkf h GLU 30 N 0.00 0.21 0.00 5.31 3.07 -1.92 -3.41 114.58 117.84 2jkf h GLU 30 Ca 0.00 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2jkf h GLU 30 Cb 0.41 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2jkf h GLU 30 CO 0.00 1.12 -0.02 -0.40 -1.40 0.00 0.00 179.01 178.31 2jkf n ASP 31 N -3.53 0.11 -0.01 1.42 5.68 -1.20 -5.04 116.55 113.98 2jkf n ASP 31 Ca -0.06 -0.01 -0.00 0.00 -0.50 0.00 0.00 54.79 54.22 2jkf n ASP 31 Cb 0.96 0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.99 2jkf n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkf n GLY 32 N 0.08 0.43 3.64 6.12 0.00 0.14 -3.93 105.19 111.68 2jkf n GLY 32 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2jkf n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkf s VAL 33 N -2.00 5.19 0.08 1.61 1.01 -1.25 -4.17 120.40 120.86 2jkf s VAL 33 Ca 0.00 0.65 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 2jkf s VAL 33 Cb 0.00 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2jkf s VAL 33 CO 0.00 0.21 1.63 -0.69 0.00 0.00 0.00 175.10 176.25 2jkf s VAL 34 N 1.66 2.99 -0.22 2.92 1.01 -1.26 -3.07 120.40 124.41 2jkf s VAL 34 Ca 0.17 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.70 2jkf s VAL 34 Cb -0.15 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2jkf s VAL 34 CO 0.09 0.01 0.21 0.00 0.00 0.00 0.00 175.10 175.40 2jkf n TYR 35 N 5.30 0.00 -3.80 5.22 0.18 0.50 -4.95 117.16 119.61 2jkf n TYR 35 Ca 0.15 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.81 2jkf n TYR 35 Cb 0.40 -0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.25 2jkf n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jkf s ALA 36 N -1.50 -0.58 0.07 -3.48 0.00 -1.19 -5.01 121.76 110.08 2jkf s ALA 36 Ca 0.02 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 2jkf s ALA 36 Cb 0.04 -0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.00 2jkf s ALA 36 CO 0.20 -0.15 0.73 0.00 0.00 0.00 0.00 175.76 176.53 2jkf s VAL 38 N -3.27 0.57 0.01 0.00 -7.23 -0.04 -4.86 120.40 105.59 2jkf s VAL 38 Ca 0.02 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 2jkf s VAL 38 Cb -0.01 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 2jkf s VAL 38 CO -0.10 -0.38 -0.12 0.00 -0.31 0.00 0.00 175.10 174.20 2jkf s ALA 39 N -1.40 0.96 -0.10 1.32 0.00 -1.26 -1.52 121.76 119.76 2jkf s ALA 39 Ca -0.09 -0.62 0.30 0.00 0.00 0.00 0.00 51.96 51.54 2jkf s ALA 39 Cb -0.10 -0.18 1.32 0.00 0.00 0.00 0.00 23.12 24.16 2jkf s ALA 39 CO 0.00 0.20 1.88 -0.56 0.00 0.00 0.00 175.76 177.29 2jkf h GLN 40 N 5.40 0.00 -2.79 0.00 3.07 -0.95 -3.43 115.11 116.41 2jkf h GLN 40 Ca -0.34 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.07 2jkf h GLN 40 Cb 1.18 0.00 0.04 0.00 0.08 0.00 0.00 27.48 28.78 2jkf h GLN 40 CO 0.47 0.00 -0.18 0.41 0.09 0.00 0.00 178.83 179.61 2jkf n GLY 41 N -0.26 -0.66 0.00 0.06 0.00 -1.26 -4.33 105.19 98.74 2jkf n GLY 41 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2jkf n GLY 41 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jkf n GLU 42 N 0.52 0.00 0.02 1.61 4.07 -1.06 -4.89 120.64 120.91 2jkf n GLU 42 Ca 0.09 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.15 2jkf n GLU 42 Cb 0.10 0.00 0.19 0.00 -0.06 0.00 0.00 31.44 31.67 2jkf n GLU 42 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2jkf h GLU 43 N 0.00 0.47 0.00 5.31 4.81 -1.99 -3.42 114.58 119.75 2jkf h GLU 43 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2jkf h GLU 43 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2jkf h GLU 43 CO 0.00 0.71 0.00 -1.13 -0.73 0.00 0.00 179.01 177.86 2jkf n SER 44 N -4.10 1.26 -0.72 1.04 3.41 -1.26 -4.60 113.62 108.65 2jkf n SER 44 Ca -0.01 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2jkf n SER 44 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2jkf n SER 44 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jkf n ASP 45 N -0.18 -1.70 -0.00 4.04 8.00 -1.26 -5.00 116.55 120.44 2jkf n ASP 45 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 2jkf n ASP 45 Cb 0.12 -0.85 -0.09 0.00 -0.02 0.00 0.00 41.12 40.28 2jkf n ASP 45 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2jkf n PRO 46 N 0.45 1.01 -0.46 -0.24 -0.04 -1.26 -2.57 135.00 131.89 2jkf n PRO 46 Ca 0.00 -0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.47 2jkf n PRO 46 Cb 0.00 -1.25 0.31 0.00 -0.04 0.00 0.00 33.50 32.53 2jkf n PRO 46 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jkf n ASN 47 N -1.78 4.02 -4.75 3.54 3.02 -1.26 -4.95 115.26 113.09 2jkf n ASN 47 Ca -0.01 -2.21 -0.41 0.00 -0.03 0.00 0.00 54.58 51.92 2jkf n ASN 47 Cb 0.30 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 2jkf n ASN 47 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2jkf s PHE 48 N -1.47 2.84 -0.50 3.10 5.36 -1.26 -4.98 117.98 121.08 2jkf s PHE 48 Ca 0.46 0.96 -0.15 0.00 -0.96 0.00 0.00 56.93 57.24 2jkf s PHE 48 Cb 0.27 -3.95 0.10 0.00 -0.34 0.00 0.00 43.02 39.10 2jkf s PHE 48 CO 0.27 -3.08 0.44 0.34 -1.46 0.00 0.00 175.22 171.73 2jkf s ASP 49 N 0.30 6.15 0.43 6.13 2.15 -1.26 -4.95 116.67 125.61 2jkf s ASP 49 Ca 0.60 -1.53 0.10 0.00 0.43 0.00 0.00 52.55 52.15 2jkf s ASP 49 Cb -0.45 -2.19 0.95 0.00 -0.30 0.00 0.00 42.92 40.93 2jkf s ASP 49 CO 0.49 -0.73 2.04 0.07 -0.17 0.00 0.00 175.17 176.86 2jkf h LYS 50 N 8.80 0.45 0.00 4.34 2.10 -1.95 -1.86 116.57 128.45 2jkf h LYS 50 Ca -0.29 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.32 2jkf h LYS 50 Cb 1.11 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2jkf h LYS 50 CO 0.94 0.30 -0.06 -1.49 -2.00 0.00 0.00 179.45 177.14 2jkf h TRP 51 N 0.46 0.00 0.00 0.07 4.06 -1.95 -2.05 115.95 116.55 2jkf h TRP 51 Ca 0.18 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 2jkf h TRP 51 Cb 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 2jkf h TRP 51 CO -0.00 0.06 -0.08 0.66 -3.56 0.00 0.00 178.44 175.52 2jkf h SER 52 N 0.00 0.00 1.19 -3.49 4.64 -1.59 0.10 113.55 114.41 2jkf h SER 52 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jkf h SER 52 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2jkf h SER 52 CO 0.01 0.08 -0.53 -0.07 -0.87 0.00 0.00 176.83 175.45 2jkf h LEU 53 N 0.00 0.00 0.00 5.97 3.38 -1.52 -3.42 115.31 119.72 2jkf h LEU 53 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jkf h LEU 53 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jkf h LEU 53 CO 0.01 0.04 -0.62 0.49 0.09 0.00 0.00 178.44 178.46 2jkf n PHE 54 N -2.47 0.00 -4.01 1.13 3.72 -0.31 -3.79 117.46 111.72 2jkf n PHE 54 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 2jkf n PHE 54 Cb 0.49 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.87 2jkf n PHE 54 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2jkf s TYR 55 N -1.27 0.33 -0.23 1.38 5.04 0.20 -4.42 117.35 118.38 2jkf s TYR 55 Ca 0.00 -0.04 -0.10 0.00 -2.44 0.00 0.00 57.07 54.49 2jkf s TYR 55 Cb 0.00 -0.30 0.09 0.00 0.35 0.00 0.00 41.96 42.10 2jkf s TYR 55 CO 0.00 -0.06 0.52 0.21 -1.34 0.00 0.00 175.55 174.88 2jkf s LYS 56 N 0.38 0.47 0.81 4.97 2.20 -1.26 -4.58 119.74 122.72 2jkf s LYS 56 Ca -0.04 1.11 -0.13 0.00 -0.36 0.00 0.00 55.97 56.55 2jkf s LYS 56 Cb -0.07 0.33 0.08 0.00 -1.51 0.00 0.00 37.83 36.67 2jkf s LYS 56 CO -0.01 -0.20 1.21 -1.83 -0.36 0.00 0.00 175.35 174.16 2jkf s GLU 57 N 2.19 1.63 0.06 4.03 -1.05 -1.26 -4.71 118.70 119.59 2jkf s GLU 57 Ca -0.06 1.75 -0.37 0.00 -0.15 0.00 0.00 54.97 56.14 2jkf s GLU 57 Cb -0.10 -1.77 -0.19 0.00 -0.44 0.00 0.00 34.13 31.63 2jkf s GLU 57 CO -0.16 -2.22 1.04 -0.25 0.95 0.00 0.00 175.26 174.63 2jkf n ASP 58 N -3.31 0.17 -4.02 0.83 9.92 -1.26 -4.98 116.55 113.90 2jkf n ASP 58 Ca 0.13 1.15 -0.08 0.00 -0.53 0.00 0.00 54.79 55.46 2jkf n ASP 58 Cb 0.50 -0.99 -0.10 0.00 -0.64 0.00 0.00 41.12 39.89 2jkf n ASP 58 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2jkf s TYR 59 N -0.09 0.36 0.12 1.24 -0.85 -1.11 -4.98 117.35 112.05 2jkf s TYR 59 Ca 0.85 -0.75 -0.08 0.00 -0.52 0.00 0.00 57.07 56.57 2jkf s TYR 59 Cb -1.14 -0.27 -0.06 0.00 0.38 0.00 0.00 41.96 40.87 2jkf s TYR 59 CO 0.55 -0.28 0.42 -0.51 -1.52 0.00 0.00 175.55 174.20 2jkf s ASP 60 N -2.12 6.59 0.13 -0.18 1.01 -1.26 0.10 116.67 120.94 2jkf s ASP 60 Ca -0.06 0.74 0.06 0.00 0.71 0.00 0.00 52.55 54.01 2jkf s ASP 60 Cb -0.02 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 2jkf s ASP 60 CO -0.05 0.10 -0.15 0.27 0.21 0.00 0.00 175.17 175.55 2jkf s ILE 61 N -1.55 1.40 -0.17 0.77 -4.36 0.14 -4.92 121.20 112.51 2jkf s ILE 61 Ca 0.38 -1.73 -0.08 0.00 -0.26 0.00 0.00 60.65 58.97 2jkf s ILE 61 Cb -0.13 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 2jkf s ILE 61 CO 0.21 -0.38 0.08 -0.70 0.24 0.00 0.00 174.94 174.38 2jkf s GLU 62 N -2.63 3.91 -0.02 0.37 -6.30 -1.26 -1.12 118.70 111.65 2jkf s GLU 62 Ca 0.09 -0.30 0.08 0.00 -2.50 0.00 0.00 54.97 52.34 2jkf s GLU 62 Cb -0.05 -3.23 -0.02 0.00 0.00 0.00 0.00 34.13 30.83 2jkf s GLU 62 CO 0.03 0.35 -0.25 0.08 0.02 0.00 0.00 175.26 175.49 2jkf s VAL 63 N 0.15 2.09 -0.22 3.70 1.01 0.11 -4.98 120.40 122.27 2jkf s VAL 63 Ca 0.06 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.96 2jkf s VAL 63 Cb -0.12 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.58 2jkf s VAL 63 CO 0.00 0.58 -0.13 -0.70 0.00 0.00 0.00 175.10 174.85 2jkf s GLU 64 N -0.57 2.33 0.96 2.72 2.12 -1.26 -0.31 118.70 124.68 2jkf s GLU 64 Ca 0.09 -1.02 -0.16 0.00 0.36 0.00 0.00 54.97 54.24 2jkf s GLU 64 Cb -0.10 -2.62 0.23 0.00 0.26 0.00 0.00 34.13 31.90 2jkf s GLU 64 CO -0.01 -0.43 1.05 -0.40 -0.54 0.00 0.00 175.26 174.94 2jkf n ASP 65 N 4.58 -0.92 0.09 -1.70 5.68 -0.30 -4.89 116.55 119.09 2jkf n ASP 65 Ca -0.16 -1.25 0.12 0.00 -0.50 0.00 0.00 54.79 53.00 2jkf n ASP 65 Cb 0.46 -0.88 0.45 0.00 -1.14 0.00 0.00 41.12 40.01 2jkf n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jkf n GLU 66 N -3.92 0.16 0.16 0.11 -0.58 -1.26 -1.67 120.64 113.64 2jkf n GLU 66 Ca 0.14 0.29 0.09 0.00 -0.42 0.00 0.00 57.16 57.26 2jkf n GLU 66 Cb 0.51 -1.76 0.07 0.00 -0.57 0.00 0.00 31.44 29.69 2jkf n GLU 66 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2jkf h ASN 67 N 0.00 0.00 0.00 1.62 2.35 -2.04 -3.46 115.58 114.05 2jkf h ASN 67 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jkf h ASN 67 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2jkf h ASN 67 CO 0.00 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 176.55 2jkf n GLY 68 N 1.18 0.60 3.72 2.83 0.00 -0.67 -5.08 105.19 107.76 2jkf n GLY 68 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jkf n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jkf s THR 69 N -2.00 3.92 -0.21 2.61 2.01 -1.26 -4.83 115.64 115.88 2jkf s THR 69 Ca 0.00 1.41 -0.04 0.00 0.31 0.00 0.00 61.69 63.37 2jkf s THR 69 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2jkf s THR 69 CO 0.00 0.13 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.50 2jkf s LYS 70 N 0.83 3.52 0.27 4.92 1.02 -1.26 -1.15 119.74 127.89 2jkf s LYS 70 Ca 0.58 -0.57 0.08 0.00 0.02 0.00 0.00 55.97 56.09 2jkf s LYS 70 Cb -0.30 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 2jkf s LYS 70 CO 0.30 -0.06 -0.12 0.95 -0.92 0.00 0.00 175.35 175.51 2jkf s THR 71 N 1.16 1.92 -0.14 2.17 -4.23 0.57 -4.97 115.64 112.13 2jkf s THR 71 Ca 0.02 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.27 2jkf s THR 71 Cb -0.14 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 2jkf s THR 71 CO 0.00 -0.39 0.01 -0.89 -0.54 0.00 0.00 174.62 172.81 2jkf s THR 72 N -2.84 4.33 -0.03 3.99 2.01 -1.26 0.10 115.64 121.93 2jkf s THR 72 Ca 0.28 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.12 2jkf s THR 72 Cb 0.01 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2jkf s THR 72 CO 0.12 0.52 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.83 2jkf s LYS 73 N -0.09 2.31 -0.38 4.92 1.02 -0.27 -4.95 119.74 122.30 2jkf s LYS 73 Ca 0.04 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 2jkf s LYS 73 Cb -0.13 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 2jkf s LYS 73 CO 0.02 0.58 0.47 0.99 -0.92 0.00 0.00 175.35 176.49 2jkf s THR 74 N -0.65 5.05 -0.32 2.17 2.01 -1.26 0.24 115.64 122.88 2jkf s THR 74 Ca 0.10 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.93 2jkf s THR 74 Cb -0.10 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 2jkf s THR 74 CO -0.00 -0.29 0.69 -0.63 -0.69 0.00 0.00 174.62 173.71 2jkf s ILE 75 N 2.27 4.86 -0.37 1.82 -1.09 0.29 -4.94 121.20 124.05 2jkf s ILE 75 Ca 0.15 0.91 -0.11 0.00 -2.23 0.00 0.00 60.65 59.38 2jkf s ILE 75 Cb -0.16 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 2jkf s ILE 75 CO 0.14 -0.23 0.20 0.21 -1.23 0.00 0.00 174.94 174.02 2jkf s ASN 76 N 1.68 5.69 0.21 3.58 3.84 -1.26 -2.73 114.94 125.95 2jkf s ASN 76 Ca 0.28 -0.98 -0.07 0.00 0.21 0.00 0.00 52.86 52.30 2jkf s ASN 76 Cb -0.14 -2.01 0.15 0.00 -0.55 0.00 0.00 41.25 38.70 2jkf s ASN 76 CO 0.13 -0.37 1.73 -0.33 -2.79 0.00 0.00 177.10 175.47 2jkf h GLU 77 N 8.41 1.11 -0.92 0.43 5.08 -1.84 -1.89 114.58 124.97 2jkf h GLU 77 Ca -0.26 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2jkf h GLU 77 Cb 1.10 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 2jkf h GLU 77 CO 0.66 0.98 0.56 0.78 -1.00 0.00 0.00 179.01 180.98 2jkf h GLY 78 N 1.08 1.32 1.95 -3.84 0.00 -1.77 -1.63 103.07 100.19 2jkf h GLY 78 Ca 0.22 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2jkf h GLY 78 CO 0.00 0.53 -0.20 1.46 0.00 0.00 0.00 176.54 178.33 2jkf h GLN 79 N 1.26 0.07 0.00 4.80 1.08 -1.46 -1.49 115.11 119.36 2jkf h GLN 79 Ca 0.33 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.48 2jkf h GLN 79 Cb -0.06 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2jkf h GLN 79 CO -0.06 0.27 -0.18 1.79 -0.95 0.00 0.00 178.83 179.70 2jkf h THR 80 N 0.06 0.39 0.22 -0.54 1.35 -1.12 -1.93 112.91 111.33 2jkf h THR 80 Ca 0.01 -1.14 -0.33 0.00 -0.55 0.00 0.00 66.41 64.40 2jkf h THR 80 Cb 0.40 1.85 0.03 0.00 -1.73 0.00 0.00 68.15 68.69 2jkf h THR 80 CO 0.03 0.18 -1.51 0.40 -0.25 0.00 0.00 175.52 174.37 2jkf h ILE 81 N 0.00 1.24 0.00 6.82 2.04 -1.16 -3.33 117.51 123.11 2jkf h ILE 81 Ca -0.00 -2.73 -0.08 0.00 1.00 0.00 0.00 64.86 63.06 2jkf h ILE 81 Cb 0.84 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 2jkf h ILE 81 CO 0.02 0.83 -0.37 -0.07 0.00 0.00 0.00 178.15 178.57 2jkf h LEU 82 N 0.12 0.00 -0.79 1.44 3.38 -1.02 -3.13 115.31 115.32 2jkf h LEU 82 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 2jkf h LEU 82 Cb 2.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 2jkf h LEU 82 CO 0.24 0.37 -0.53 1.62 0.09 0.00 0.00 178.44 180.23 2jkf h VAL 83 N 0.00 1.36 -0.50 1.22 3.04 -1.47 0.25 116.25 120.15 2jkf h VAL 83 Ca -0.00 -1.81 -0.11 0.00 -1.01 0.00 0.00 66.70 63.76 2jkf h VAL 83 Cb 0.71 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 2jkf h VAL 83 CO 0.05 0.53 -0.13 0.58 -1.01 0.00 0.00 177.57 177.59 2jkf h VAL 84 N 0.16 1.27 0.21 1.51 2.07 -1.62 0.34 116.25 120.19 2jkf h VAL 84 Ca 0.00 -1.28 -0.31 0.00 0.82 0.00 0.00 66.70 65.93 2jkf h VAL 84 Cb 0.99 1.06 0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2jkf h VAL 84 CO 0.08 0.45 -1.34 -0.26 0.02 0.00 0.00 177.57 176.52 2jkf h PHE 85 N 0.83 0.94 -0.33 1.57 0.04 -1.60 -1.18 116.94 117.21 2jkf h PHE 85 Ca 0.12 -0.66 -0.16 0.00 2.80 0.00 0.00 57.97 60.07 2jkf h PHE 85 Cb 0.70 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2jkf h PHE 85 CO 0.05 1.51 -0.43 -0.91 -0.60 0.00 0.00 178.31 177.93 2jkf h ASN 86 N 0.10 0.91 0.00 2.17 2.35 -0.91 -3.39 115.58 116.80 2jkf h ASN 86 Ca -0.23 -0.43 -0.05 0.00 -0.55 0.00 0.00 56.30 55.04 2jkf h ASN 86 Cb 2.04 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 40.15 2jkf h ASN 86 CO 0.25 1.20 -1.20 -0.62 -1.65 0.00 0.00 177.43 175.42 2jkf n GLU 87 N -4.04 3.05 -0.47 0.81 -0.58 0.12 -5.03 120.64 114.50 2jkf n GLU 87 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2jkf n GLU 87 Cb 0.56 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 2jkf n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jkf n GLY 88 N 2.89 0.75 3.40 0.62 0.00 -0.45 -5.01 105.19 107.39 2jkf n GLY 88 Ca -0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 2jkf n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkf s TYR 89 N -2.00 0.83 -0.36 1.61 -0.85 -1.26 -5.00 117.35 110.32 2jkf s TYR 89 Ca 0.00 -1.10 0.01 0.00 -0.52 0.00 0.00 57.07 55.46 2jkf s TYR 89 Cb 0.00 -0.20 0.11 0.00 0.38 0.00 0.00 41.96 42.25 2jkf s TYR 89 CO 0.00 -0.85 0.13 0.00 -1.52 0.00 0.00 175.55 173.31 2jkf s ALA 90 N -3.96 2.05 0.45 9.51 0.00 -1.26 -3.71 121.76 124.83 2jkf s ALA 90 Ca 0.31 -2.16 0.32 0.00 0.00 0.00 0.00 51.96 50.43 2jkf s ALA 90 Cb 0.03 -1.79 1.68 0.00 0.00 0.00 0.00 23.12 23.05 2jkf s ALA 90 CO 0.12 -1.80 2.15 -1.35 0.00 0.00 0.00 175.76 174.88 2jkf h PRO 91 N 7.56 0.00 -0.04 0.00 0.11 -1.96 -3.09 132.00 134.58 2jkf h PRO 91 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2jkf h PRO 91 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2jkf h PRO 91 CO 0.49 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 2jkf n ASP 92 N -3.49 1.95 0.00 -2.05 8.00 -1.26 -5.12 116.55 114.58 2jkf n ASP 92 Ca -0.02 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.64 2jkf n ASP 92 Cb 0.19 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2jkf n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jkf n GLY 93 N -0.29 -1.17 3.70 0.44 0.00 -1.17 -4.89 105.19 101.81 2jkf n GLY 93 Ca 0.01 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 2jkf n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkf s VAL 94 N -1.77 5.37 -0.10 1.61 1.01 -0.66 -4.87 120.40 120.99 2jkf s VAL 94 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2jkf s VAL 94 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2jkf s VAL 94 CO 0.00 0.39 -0.21 0.26 0.00 0.00 0.00 175.10 175.54 2jkf s TRP 95 N 0.67 2.61 -0.10 5.22 0.52 -1.26 0.51 118.94 127.10 2jkf s TRP 95 Ca 0.10 -0.86 -0.04 0.00 0.02 0.00 0.00 56.10 55.32 2jkf s TRP 95 Cb -0.12 -1.72 0.05 0.00 -1.15 0.00 0.00 33.47 30.52 2jkf s TRP 95 CO 0.02 -0.31 0.22 -1.17 0.02 0.00 0.00 176.95 175.72 2jkf s LEU 96 N 0.22 0.20 -1.60 2.99 2.96 -0.17 -4.69 118.68 118.59 2jkf s LEU 96 Ca -0.13 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 2jkf s LEU 96 Cb -0.16 0.58 0.00 0.00 0.50 0.00 0.00 46.19 47.10 2jkf s LEU 96 CO 0.07 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 2jkf n GLY 97 N 4.70 1.49 0.08 7.98 0.00 -1.25 -1.81 105.19 116.38 2jkf n GLY 97 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2jkf n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkf n GLY 98 N -0.58 0.29 3.86 -0.02 0.00 -1.26 -4.72 105.19 102.76 2jkf n GLY 98 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2jkf n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jkf s THR 99 N -2.04 5.47 -0.19 2.61 2.01 -0.75 -5.08 115.64 117.68 2jkf s THR 99 Ca 0.00 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 2jkf s THR 99 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2jkf s THR 99 CO 0.00 0.60 0.60 -0.75 -0.69 0.00 0.00 174.62 174.39 2jkf s LYS 100 N -0.90 4.23 0.07 4.92 2.20 -1.26 -1.00 119.74 127.99 2jkf s LYS 100 Ca 0.14 0.58 0.05 0.00 -0.36 0.00 0.00 55.97 56.38 2jkf s LYS 100 Cb -0.12 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 2jkf s LYS 100 CO 0.03 -0.19 -0.04 0.71 -0.36 0.00 0.00 175.35 175.51 2jkf s TYR 101 N 1.73 2.92 -0.16 4.03 2.02 0.18 -4.72 117.35 123.34 2jkf s TYR 101 Ca 0.28 -0.05 -0.22 0.00 -0.37 0.00 0.00 57.07 56.71 2jkf s TYR 101 Cb -0.16 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2jkf s TYR 101 CO 0.11 0.45 0.69 -1.14 -1.57 0.00 0.00 175.55 174.08 2jkf s GLN 102 N -2.06 4.28 -0.16 -0.62 0.74 0.34 -1.65 119.66 120.53 2jkf s GLN 102 Ca 0.23 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 56.11 2jkf s GLN 102 Cb -0.11 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 2jkf s GLN 102 CO 0.15 -0.19 1.72 0.12 -0.55 0.00 0.00 175.29 176.53 2jkf s PHE 103 N 1.72 1.90 -0.22 1.67 5.36 -1.26 -0.27 117.98 126.88 2jkf s PHE 103 Ca 0.33 0.38 0.03 0.00 -0.96 0.00 0.00 56.93 56.71 2jkf s PHE 103 Cb -0.16 -3.99 -0.15 0.00 -0.34 0.00 0.00 43.02 38.38 2jkf s PHE 103 CO 0.12 -3.49 -0.17 -0.89 -1.46 0.00 0.00 175.22 169.34 2jkf n ILE 104 N 6.28 1.26 -3.60 3.12 2.08 -0.34 -4.96 119.36 123.20 2jkf n ILE 104 Ca 0.20 -0.52 -0.11 0.00 0.56 0.00 0.00 62.75 62.88 2jkf n ILE 104 Cb 0.44 -1.19 -0.06 0.00 -0.75 0.00 0.00 39.64 38.08 2jkf n ILE 104 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2jkf s ASN 105 N -6.03 -0.45 -0.05 4.38 2.47 -0.97 -5.00 114.94 109.28 2jkf s ASN 105 Ca -0.27 0.68 0.03 0.00 0.42 0.00 0.00 52.86 53.71 2jkf s ASN 105 Cb 0.07 0.62 0.01 0.00 -1.45 0.00 0.00 41.25 40.50 2jkf s ASN 105 CO 0.54 -0.29 -0.12 -0.51 -3.72 0.00 0.00 177.10 173.00 2jkf s ILE 106 N -0.51 1.06 -0.26 -5.21 2.07 -1.26 -0.60 121.20 116.49 2jkf s ILE 106 Ca -0.01 -0.47 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 2jkf s ILE 106 Cb -0.02 -0.95 0.06 0.00 0.13 0.00 0.00 42.46 41.68 2jkf s ILE 106 CO -0.01 0.33 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.66 2jkf s GLU 107 N 0.40 2.05 0.07 3.50 2.02 0.81 -4.99 118.70 122.55 2jkf s GLU 107 Ca -0.09 -1.31 -0.19 0.00 0.02 0.00 0.00 54.97 53.40 2jkf s GLU 107 Cb -0.13 -2.84 -0.07 0.00 0.10 0.00 0.00 34.13 31.20 2jkf s GLU 107 CO 0.02 -0.60 0.57 1.03 0.02 0.00 0.00 175.26 176.30 2jkf s ARG 108 N 1.15 4.21 -1.53 1.61 0.52 -1.26 -1.29 118.95 122.36 2jkf s ARG 108 Ca -0.07 0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 55.73 2jkf s ARG 108 Cb -0.20 -3.24 0.11 0.00 0.52 0.00 0.00 34.95 32.14 2jkf s ARG 108 CO -0.06 0.62 0.78 -0.25 0.02 0.00 0.00 175.30 176.41 2jkf n ASP 109 N 1.78 -4.06 -4.72 0.23 9.92 -0.96 -4.91 116.55 113.83 2jkf n ASP 109 Ca -0.10 -0.74 -0.42 0.00 -0.53 0.00 0.00 54.79 53.00 2jkf n ASP 109 Cb 0.51 -3.29 -0.03 0.00 -0.64 0.00 0.00 41.12 37.67 2jkf n ASP 109 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2jkf n LEU 110 N -4.30 4.04 -4.52 0.64 0.00 0.81 -4.58 117.00 109.10 2jkf n LEU 110 Ca 0.04 1.07 -0.43 0.00 0.00 0.00 0.00 56.01 56.69 2jkf n LEU 110 Cb 0.52 -1.58 -0.07 0.00 0.00 0.00 0.00 43.42 42.29 2jkf n LEU 110 CO 0.72 0.17 0.35 -1.61 0.00 0.00 0.00 177.39 177.02 2jkf s GLU 111 N 0.90 3.27 -0.32 1.96 2.02 -1.26 -0.15 118.70 125.13 2jkf s GLU 111 Ca 0.73 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 55.36 2jkf s GLU 111 Cb -0.51 -3.95 0.09 0.00 0.10 0.00 0.00 34.13 29.86 2jkf s GLU 111 CO 0.35 -0.99 0.01 0.12 0.02 0.00 0.00 175.26 174.77 2jkf s PHE 112 N 2.75 3.59 -1.18 1.61 5.36 0.61 -4.90 117.98 125.82 2jkf s PHE 112 Ca 0.22 -2.72 -0.30 0.00 -0.96 0.00 0.00 56.93 53.17 2jkf s PHE 112 Cb -0.14 -2.62 0.03 0.00 -0.34 0.00 0.00 43.02 39.94 2jkf s PHE 112 CO 0.18 -0.92 0.72 0.39 -1.46 0.00 0.00 175.22 174.13 2jkf n GLU 113 N 4.34 -0.58 0.00 10.12 1.02 -1.26 -2.30 120.64 131.99 2jkf n GLU 113 Ca -0.02 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2jkf n GLU 113 Cb 0.42 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.80 2jkf n GLU 113 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jkf n GLY 114 N -1.95 2.43 3.27 0.62 0.00 -1.26 -5.05 105.19 103.24 2jkf n GLY 114 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2jkf n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkf s TYR 115 N -2.68 1.81 -0.03 1.61 2.02 -0.97 -5.15 117.35 113.97 2jkf s TYR 115 Ca 0.00 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.25 2jkf s TYR 115 Cb 0.00 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2jkf s TYR 115 CO 0.00 0.14 0.22 -0.80 -1.57 0.00 0.00 175.55 173.54 2jkf s ASN 116 N -1.50 6.44 -0.03 2.29 -0.87 -1.26 -0.28 114.94 119.73 2jkf s ASN 116 Ca 0.07 0.49 -0.03 0.00 -1.57 0.00 0.00 52.86 51.81 2jkf s ASN 116 Cb -0.09 -2.06 0.01 0.00 -0.02 0.00 0.00 41.25 39.08 2jkf s ASN 116 CO 0.03 0.29 0.09 -0.36 -2.57 0.00 0.00 177.10 174.58 2jkf s PHE 117 N -1.24 -0.08 -0.28 2.20 0.08 0.79 -4.89 117.98 114.55 2jkf s PHE 117 Ca 0.25 0.20 -0.18 0.00 0.12 0.00 0.00 56.93 57.32 2jkf s PHE 117 Cb -0.13 0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.32 2jkf s PHE 117 CO 0.14 -0.06 0.52 -0.51 -0.10 0.00 0.00 175.22 175.20 2jkf s ASP 118 N -0.07 6.41 -0.04 1.36 1.01 -1.26 -0.13 116.67 123.95 2jkf s ASP 118 Ca -0.01 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.66 2jkf s ASP 118 Cb -0.01 -2.28 0.03 0.00 1.01 0.00 0.00 42.92 41.66 2jkf s ASP 118 CO 0.00 -0.33 -0.01 0.54 0.21 0.00 0.00 175.17 175.58 2jkf s VAL 119 N 2.34 0.28 0.09 -1.27 0.11 -0.41 -2.20 120.40 119.33 2jkf s VAL 119 Ca 0.21 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.41 2jkf s VAL 119 Cb -0.16 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2jkf s VAL 119 CO 0.10 0.19 -0.19 0.00 -3.33 0.00 0.00 175.10 171.86 2jkf s ALA 120 N 1.23 2.60 -0.04 1.54 0.00 0.96 -0.13 121.76 127.92 2jkf s ALA 120 Ca -0.07 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.61 2jkf s ALA 120 Cb -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2jkf s ALA 120 CO -0.02 0.58 -0.12 0.99 0.00 0.00 0.00 175.76 177.19 2jkf s THR 121 N -1.05 1.03 0.11 0.00 2.01 0.23 -0.61 115.64 117.35 2jkf s THR 121 Ca 0.16 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.75 2jkf s THR 121 Cb -0.10 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2jkf s THR 121 CO 0.08 0.32 -0.14 0.00 -0.69 0.00 0.00 174.62 174.18 2jkf s ALA 123 N -1.85 2.17 0.06 0.00 0.00 0.62 -0.77 121.76 122.00 2jkf s ALA 123 Ca 0.05 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2jkf s ALA 123 Cb -0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 2jkf s ALA 123 CO 0.03 0.53 0.00 0.36 0.00 0.00 0.00 175.76 176.67 2jkf n LYS 124 N 2.20 1.84 -1.93 0.00 2.85 0.10 -0.50 118.16 122.71 2jkf n LYS 124 Ca -0.16 -0.44 -0.42 0.00 -1.05 0.00 0.00 58.31 56.23 2jkf n LYS 124 Cb 0.51 0.12 -0.03 0.00 -0.65 0.00 0.00 35.03 34.99 2jkf n LYS 124 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2jkf s LEU 125 N 0.00 4.35 -1.48 -5.58 2.96 -1.26 -3.30 118.68 114.37 2jkf s LEU 125 Ca 0.00 2.35 -0.12 0.00 -0.22 0.00 0.00 54.13 56.14 2jkf s LEU 125 Cb 0.00 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.22 2jkf s LEU 125 CO 0.00 -0.94 1.05 0.29 -1.32 0.00 0.00 176.35 175.43 2jkf n LYS 126 N 7.01 -6.31 -3.40 1.98 5.02 -1.26 -4.84 118.16 116.37 2jkf n LYS 126 Ca 0.18 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 2jkf n LYS 126 Cb 0.42 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 2jkf n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkf n GLY 127 N -1.79 -1.40 0.00 0.72 0.00 -1.21 -1.49 105.19 100.02 2jkf n GLY 127 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2jkf n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkf n GLY 128 N -0.07 0.61 3.23 -0.02 0.00 -0.64 -0.72 105.19 107.58 2jkf n GLY 128 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2jkf n GLY 128 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jkf s LEU 129 N 0.00 1.07 0.03 0.99 0.05 0.05 -1.53 118.68 119.34 2jkf s LEU 129 Ca 0.00 -0.37 0.09 0.00 0.05 0.00 0.00 54.13 53.90 2jkf s LEU 129 Cb 0.00 1.24 -0.03 0.00 -2.05 0.00 0.00 46.19 45.36 2jkf s LEU 129 CO 0.00 -0.66 -0.26 -1.00 -0.55 0.00 0.00 176.35 173.88 2jkf s HIS 130 N -3.06 2.25 -0.10 3.48 3.76 0.10 -1.61 115.29 120.10 2jkf s HIS 130 Ca -0.01 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 2jkf s HIS 130 Cb 0.01 -1.38 0.01 0.00 1.11 0.00 0.00 32.58 32.33 2jkf s HIS 130 CO -0.07 0.08 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.20 2jkf s LEU 131 N -1.05 1.93 -0.08 0.89 1.43 0.22 -0.60 118.68 121.42 2jkf s LEU 131 Ca 0.11 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2jkf s LEU 131 Cb -0.10 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.91 2jkf s LEU 131 CO 0.01 0.08 -0.05 -0.69 0.23 0.00 0.00 176.35 175.94 2jkf s VAL 132 N 0.66 0.69 -0.04 -1.59 1.01 -0.52 -0.03 120.40 120.59 2jkf s VAL 132 Ca -0.13 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2jkf s VAL 132 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2jkf s VAL 132 CO 0.03 0.29 1.29 -0.54 0.00 0.00 0.00 175.10 176.18 2jkf s LYS 133 N 1.48 4.31 0.34 2.72 1.02 -0.94 0.06 119.74 128.74 2jkf s LYS 133 Ca -0.01 1.80 0.04 0.00 0.02 0.00 0.00 55.97 57.82 2jkf s LYS 133 Cb -0.13 -3.58 -0.06 0.00 -0.52 0.00 0.00 37.83 33.54 2jkf s LYS 133 CO -0.04 -0.52 0.05 0.14 -0.92 0.00 0.00 175.35 174.07 2jkf s VAL 134 N 2.37 1.26 0.95 3.17 -7.23 -0.00 -4.60 120.40 116.32 2jkf s VAL 134 Ca 0.59 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 2jkf s VAL 134 Cb -0.27 -2.78 0.16 0.00 0.56 0.00 0.00 36.38 34.04 2jkf s VAL 134 CO 0.24 0.00 1.11 -2.16 -0.31 0.00 0.00 175.10 173.97 2jkf s PRO 135 N -3.86 0.84 0.00 4.82 0.04 -1.26 -2.46 135.00 133.12 2jkf s PRO 135 Ca 0.35 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2jkf s PRO 135 Cb 0.08 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2jkf s PRO 135 CO 0.16 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.16 2jkf n GLY 136 N -1.56 0.76 1.99 0.56 0.00 -1.26 -3.71 105.19 101.97 2jkf n GLY 136 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2jkf n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkf n GLY 137 N -2.26 0.28 3.56 -0.02 0.00 -1.24 -4.95 105.19 100.56 2jkf n GLY 137 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 2jkf n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkf s ASN 138 N -3.32 4.25 -0.13 1.61 -0.87 -1.03 -1.30 114.94 114.15 2jkf s ASN 138 Ca 0.08 -0.52 -0.01 0.00 -1.57 0.00 0.00 52.86 50.85 2jkf s ASN 138 Cb -0.04 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.25 40.44 2jkf s ASN 138 CO 0.25 0.14 -0.11 -0.63 -2.57 0.00 0.00 177.10 174.18 2jkf s ILE 139 N -1.48 3.23 -0.17 0.60 1.01 0.66 -0.82 121.20 124.23 2jkf s ILE 139 Ca 0.23 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 2jkf s ILE 139 Cb -0.10 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2jkf s ILE 139 CO 0.14 0.52 0.37 -0.22 0.00 0.00 0.00 174.94 175.75 2jkf s LEU 140 N 0.28 4.20 -0.20 2.97 2.96 0.11 0.12 118.68 129.11 2jkf s LEU 140 Ca -0.08 0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2jkf s LEU 140 Cb -0.15 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 2jkf s LEU 140 CO 0.05 -0.00 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.33 2jkf s VAL 141 N 0.91 3.35 -0.09 1.68 1.01 0.86 -1.44 120.40 126.68 2jkf s VAL 141 Ca 0.19 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2jkf s VAL 141 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2jkf s VAL 141 CO 0.07 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 2jkf s VAL 142 N 1.23 1.68 0.02 2.92 1.01 0.23 -0.16 120.40 127.33 2jkf s VAL 142 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2jkf s VAL 142 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2jkf s VAL 142 CO -0.02 0.48 0.18 -0.76 0.00 0.00 0.00 175.10 174.98 2jkf s LEU 143 N 0.58 4.33 0.04 3.92 1.43 -0.38 0.02 118.68 128.62 2jkf s LEU 143 Ca -0.15 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2jkf s LEU 143 Cb -0.17 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 2jkf s LEU 143 CO 0.05 0.23 -0.08 -0.72 0.23 0.00 0.00 176.35 176.06 2jkf s TYR 144 N -1.38 0.70 -0.20 0.29 -0.85 -0.58 -1.43 117.35 113.89 2jkf s TYR 144 Ca 0.30 -0.45 -0.03 0.00 -0.52 0.00 0.00 57.07 56.36 2jkf s TYR 144 Cb -0.13 -0.42 0.06 0.00 0.38 0.00 0.00 41.96 41.86 2jkf s TYR 144 CO 0.22 -0.06 0.05 0.34 -1.52 0.00 0.00 175.55 174.57 2jkf s ASP 145 N -1.44 2.94 0.46 -0.18 -1.08 -1.26 -1.62 116.67 114.48 2jkf s ASP 145 Ca -0.08 -0.87 0.31 0.00 -0.52 0.00 0.00 52.55 51.39 2jkf s ASP 145 Cb -0.09 -0.56 1.40 0.00 -1.46 0.00 0.00 42.92 42.21 2jkf s ASP 145 CO 0.00 -0.32 1.93 -0.33 0.52 0.00 0.00 175.17 176.97 2jkf h GLU 146 N 8.26 0.00 0.00 4.34 5.08 -1.41 -0.17 114.58 130.69 2jkf h GLU 146 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2jkf h GLU 146 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jkf h GLU 146 CO 0.34 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.74 2jkf n GLU 147 N -2.74 0.01 -0.98 2.33 1.02 -1.26 -3.62 120.64 115.40 2jkf n GLU 147 Ca 0.00 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 2jkf n GLU 147 Cb 0.22 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.32 2jkf n GLU 147 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jkf n LYS 148 N -1.49 2.03 -2.13 3.49 5.02 -0.08 -4.90 118.16 120.09 2jkf n LYS 148 Ca 0.07 -3.23 -0.17 0.00 -2.02 0.00 0.00 58.31 52.96 2jkf n LYS 148 Cb 0.30 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2jkf n LYS 148 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jkf n GLU 149 N -1.10 -1.33 -4.20 1.97 1.02 -1.24 -4.99 120.64 110.77 2jkf n GLU 149 Ca 0.40 0.90 -0.23 0.00 -0.02 0.00 0.00 57.16 58.21 2jkf n GLU 149 Cb 1.12 -5.30 -0.06 0.00 -0.02 0.00 0.00 31.44 27.19 2jkf n GLU 149 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2jkf s GLN 150 N -4.52 2.53 0.21 3.49 -0.21 -1.20 -5.00 119.66 114.96 2jkf s GLN 150 Ca 0.00 -1.31 -0.12 0.00 0.02 0.00 0.00 55.36 53.95 2jkf s GLN 150 Cb 0.00 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.70 2jkf s GLN 150 CO 0.00 0.34 0.42 0.16 -2.12 0.00 0.00 175.29 174.09 2jkf s ASP 151 N -3.76 -0.08 0.15 5.90 3.84 -1.26 -4.07 116.67 117.39 2jkf s ASP 151 Ca 0.33 -0.82 -0.13 0.00 -0.00 0.00 0.00 52.55 51.92 2jkf s ASP 151 Cb -0.06 0.53 0.03 0.00 -1.38 0.00 0.00 42.92 42.03 2jkf s ASP 151 CO 0.22 -1.03 1.66 -0.09 -0.00 0.00 0.00 175.17 175.92 2jkf h ARG 152 N 2.34 0.80 0.27 2.11 2.43 -1.97 -2.34 114.38 118.02 2jkf h ARG 152 Ca -0.29 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2jkf h ARG 152 Cb 1.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2jkf h ARG 152 CO 0.40 0.77 -0.13 0.78 -1.51 0.00 0.00 179.97 180.28 2jkf h GLY 153 N 0.68 -0.38 1.49 2.80 0.00 -1.99 -2.75 103.07 102.92 2jkf h GLY 153 Ca 0.16 0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.49 2jkf h GLY 153 CO 0.00 -0.14 -0.45 -0.57 0.00 0.00 0.00 176.54 175.39 2jkf h ASN 154 N -0.49 0.59 0.23 0.19 -0.73 -1.94 -2.13 115.58 111.30 2jkf h ASN 154 Ca -0.04 -0.28 -0.08 0.00 1.87 0.00 0.00 56.30 57.78 2jkf h ASN 154 Cb 0.36 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2jkf h ASN 154 CO 0.06 0.96 -0.31 0.77 -0.37 0.00 0.00 177.43 178.54 2jkf h SER 155 N 0.45 0.13 -0.22 1.15 4.64 -1.47 -1.10 113.55 117.13 2jkf h SER 155 Ca 0.03 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 2jkf h SER 155 Cb 0.96 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2jkf h SER 155 CO 0.09 0.44 -0.61 0.50 -0.87 0.00 0.00 176.83 176.37 2jkf h LYS 156 N 0.12 0.83 -0.64 4.77 3.64 -1.16 0.14 116.57 124.27 2jkf h LYS 156 Ca 0.02 -0.57 -0.06 0.00 -1.27 0.00 0.00 60.65 58.77 2jkf h LYS 156 Cb 0.61 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2jkf h LYS 156 CO 0.04 1.19 0.17 0.82 -2.27 0.00 0.00 179.45 179.41 2jkf h ILE 157 N 0.62 1.25 -0.68 2.00 1.08 -1.15 0.17 117.51 120.80 2jkf h ILE 157 Ca -0.00 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 2jkf h ILE 157 Cb 1.22 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 2jkf h ILE 157 CO 0.13 0.34 0.39 0.00 -0.69 0.00 0.00 178.15 178.32 2jkf h ALA 158 N 1.06 0.87 -0.31 1.87 0.00 -0.99 0.25 119.26 122.01 2jkf h ALA 158 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jkf h ALA 158 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jkf h ALA 158 CO -0.00 0.36 0.12 0.00 0.00 0.00 0.00 179.25 179.73 2jkf h ALA 159 N 1.20 0.40 -0.37 0.00 0.00 -0.31 -2.42 119.26 117.76 2jkf h ALA 159 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2jkf h ALA 159 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jkf h ALA 159 CO -0.04 0.01 0.02 -0.07 0.00 0.00 0.00 179.25 179.17 2jkf h LEU 160 N 0.35 0.53 -0.35 0.00 3.38 -0.72 -0.61 115.31 117.89 2jkf h LEU 160 Ca 0.10 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2jkf h LEU 160 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2jkf h LEU 160 CO -0.01 0.59 -0.27 0.74 0.09 0.00 0.00 178.44 179.59 2jkf h THR 161 N 0.55 1.29 -0.28 0.22 2.02 -0.89 -0.46 112.91 115.36 2jkf h THR 161 Ca 0.12 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.83 2jkf h THR 161 Cb 0.33 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2jkf h THR 161 CO 0.01 0.47 0.01 0.15 0.37 0.00 0.00 175.52 176.53 2jkf h PHE 162 N 0.58 0.52 -0.68 3.16 3.57 -1.17 -2.66 116.94 120.25 2jkf h PHE 162 Ca 0.06 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2jkf h PHE 162 Cb 0.84 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 2jkf h PHE 162 CO 0.06 0.62 0.36 0.00 -2.23 0.00 0.00 178.31 177.13 2jkf h ALA 163 N 0.83 0.92 -0.83 2.41 0.00 -0.96 -1.85 119.26 119.78 2jkf h ALA 163 Ca 0.08 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jkf h ALA 163 Cb 0.41 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2jkf h ALA 163 CO 0.01 0.01 0.55 -0.22 0.00 0.00 0.00 179.25 179.60 2jkf h LYS 164 N 0.65 1.04 -0.60 0.00 3.64 -0.99 0.26 116.57 120.57 2jkf h LYS 164 Ca 0.32 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 2jkf h LYS 164 Cb 0.26 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2jkf h LYS 164 CO -0.22 0.69 0.13 0.93 -2.27 0.00 0.00 179.45 178.71 2jkf h GLU 165 N 1.07 0.97 -0.57 1.90 5.08 -1.00 -0.76 114.58 121.27 2jkf h GLU 165 Ca 0.32 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2jkf h GLU 165 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2jkf h GLU 165 CO -0.09 0.90 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.73 2jkf h LEU 166 N 0.87 1.01 -1.11 1.33 3.38 -0.91 -2.75 115.31 117.14 2jkf h LEU 166 Ca 0.19 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2jkf h LEU 166 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jkf h LEU 166 CO 0.01 1.08 -0.26 0.00 0.09 0.00 0.00 178.44 179.36 2jkf h ALA 167 N 0.97 1.03 0.22 1.53 0.00 -0.57 -1.96 119.26 120.48 2jkf h ALA 167 Ca 0.16 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 2jkf h ALA 167 Cb 0.58 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jkf h ALA 167 CO 0.03 0.32 -1.34 0.93 0.00 0.00 0.00 179.25 179.20 2jkf h GLU 168 N 0.00 0.47 0.00 0.00 5.08 -1.01 -3.31 114.58 115.82 2jkf h GLU 168 Ca -0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 59.36 57.55 2jkf h GLU 168 Cb 0.76 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jkf h GLU 168 CO 0.03 1.39 -0.56 -1.13 -1.00 0.00 0.00 179.01 177.74 2jkf n SER 169 N -3.82 0.69 0.02 1.42 3.41 -1.05 -2.14 113.62 112.15 2jkf n SER 169 Ca -0.17 0.14 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 2jkf n SER 169 Cb 1.03 0.08 0.37 0.00 -0.26 0.00 0.00 64.21 65.44 2jkf n SER 169 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jkf n SER 170 N -2.08 0.13 -0.35 4.04 2.88 -0.74 -2.69 113.62 114.81 2jkf n SER 170 Ca 0.04 0.53 0.07 0.00 -1.33 0.00 0.00 58.87 58.17 2jkf n SER 170 Cb 0.43 -0.56 0.01 0.00 -0.75 0.00 0.00 64.21 63.34 2jkf n SER 170 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jkf n GLN 171 N -1.64 1.73 -2.85 -1.46 6.02 -0.91 -4.47 117.38 113.81 2jkf n GLN 171 Ca 0.04 -0.81 -0.43 0.00 -0.01 0.00 0.00 57.00 55.79 2jkf n GLN 171 Cb 0.20 -1.21 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 2jkf n GLN 171 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jkf s LEU 172 N -1.79 4.03 -0.02 1.08 1.43 -1.09 -4.88 118.68 117.44 2jkf s LEU 172 Ca 0.12 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2jkf s LEU 172 Cb 0.11 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 43.20 2jkf s LEU 172 CO 0.33 -0.92 0.86 0.00 0.23 0.00 0.00 176.35 176.84 2jkf n GLN 173 N 6.87 0.93 0.00 1.70 10.64 -1.26 -4.90 117.38 131.36 2jkf n GLN 173 Ca 0.06 -1.22 0.09 0.00 -1.83 0.00 0.00 57.00 54.10 2jkf n GLN 173 Cb 0.48 -0.79 0.08 0.00 -0.86 0.00 0.00 30.24 29.15 2jkf n GLN 173 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84