#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jek h PRO 7 N 0.00 0.00 -0.22 -0.67 0.13 -2.05 -1.44 132.00 127.75 2jek h PRO 7 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jek h PRO 7 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jek h PRO 7 CO 0.00 0.03 0.00 1.19 -0.23 0.00 0.00 178.00 178.99 2jek n PHE 8 N -4.06 0.28 -3.72 1.56 3.72 -1.26 -4.95 117.46 109.03 2jek n PHE 8 Ca -0.03 -0.14 -0.25 0.00 -0.05 0.00 0.00 57.45 56.99 2jek n PHE 8 Cb 0.12 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 2jek n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2jek n ASP 9 N 0.79 -3.82 0.29 4.37 2.03 -0.54 -4.86 116.55 114.80 2jek n ASP 9 Ca 0.17 -0.71 0.17 0.00 0.52 0.00 0.00 54.79 54.94 2jek n ASP 9 Cb 0.45 -4.36 0.86 0.00 -0.72 0.00 0.00 41.12 37.34 2jek n ASP 9 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2jek h LEU 10 N -2.15 0.00 -2.06 -2.67 3.38 -1.93 -2.28 115.31 107.59 2jek h LEU 10 Ca -0.59 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.49 2jek h LEU 10 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2jek h LEU 10 CO 0.59 0.05 0.30 0.07 0.09 0.00 0.00 178.44 179.54 2jek h LYS 11 N 0.00 0.00 -0.71 1.13 2.10 -1.92 -0.49 116.57 116.68 2jek h LYS 11 Ca -0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 2jek h LYS 11 Cb 0.30 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.58 2jek h LYS 11 CO 0.01 0.00 0.47 0.07 -2.00 0.00 0.00 179.45 178.00 2jek h ARG 12 N 0.00 0.68 -0.08 0.07 0.11 -1.79 -0.67 114.38 112.70 2jek h ARG 12 Ca 0.17 -0.04 -0.22 0.00 0.10 0.00 0.00 59.98 59.99 2jek h ARG 12 Cb 0.77 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 31.71 2jek h ARG 12 CO -0.00 0.45 -0.81 0.74 0.10 0.00 0.00 179.97 180.45 2jek h PHE 13 N 0.70 0.97 -0.43 4.08 0.04 -1.29 -2.11 116.94 118.89 2jek h PHE 13 Ca 0.31 -0.47 0.02 0.00 2.80 0.00 0.00 57.97 60.64 2jek h PHE 13 Cb 0.33 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 2jek h PHE 13 CO -0.00 1.30 0.24 0.28 -0.60 0.00 0.00 178.31 179.52 2jek h VAL 14 N 0.36 1.02 -0.03 -0.55 2.07 -1.20 -0.41 116.25 117.51 2jek h VAL 14 Ca -0.08 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.10 2jek h VAL 14 Cb 1.46 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2jek h VAL 14 CO 0.16 0.09 -0.75 1.88 0.02 0.00 0.00 177.57 178.97 2jek h TYR 15 N 0.48 0.32 -0.56 1.57 0.05 -1.19 -2.08 116.97 115.56 2jek h TYR 15 Ca 0.18 -0.15 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 2jek h TYR 15 Cb 0.04 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 2jek h TYR 15 CO -0.08 0.90 -0.05 0.00 -1.05 0.00 0.00 178.16 177.88 2jek h ALA 16 N 1.06 0.86 -0.08 3.88 0.00 -1.18 -3.13 119.26 120.66 2jek h ALA 16 Ca -0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2jek h ALA 16 Cb 1.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2jek h ALA 16 CO 0.12 0.66 -0.46 1.96 0.00 0.00 0.00 179.25 181.52 2jek h GLN 17 N 0.91 0.18 -0.29 0.00 4.20 -0.93 -3.37 115.11 115.81 2jek h GLN 17 Ca 0.15 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.84 2jek h GLN 17 Cb 0.60 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 2jek h GLN 17 CO 0.04 0.61 -0.20 0.00 -0.67 0.00 0.00 178.83 178.60 2jek h ALA 18 N 1.38 -0.02 0.00 3.87 0.00 -1.32 0.12 119.26 123.29 2jek h ALA 18 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jek h ALA 18 Cb 0.88 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jek h ALA 18 CO 0.07 -0.61 0.00 -1.35 0.00 0.00 0.00 179.25 177.36 2jek h PRO 19 N -0.18 0.00 0.00 0.00 0.11 -1.76 -3.30 132.00 126.87 2jek h PRO 19 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2jek h PRO 19 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2jek h PRO 19 CO -0.40 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.72 2jek n VAL 20 N -2.47 0.00 -0.28 3.15 0.24 -0.62 -4.86 118.33 113.49 2jek n VAL 20 Ca 0.01 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.34 61.86 2jek n VAL 20 Cb 0.22 1.04 0.15 0.00 -1.47 0.00 0.00 33.84 33.78 2jek n VAL 20 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 2jek h TYR 21 N 0.00 1.11 -0.81 6.34 3.20 -0.88 -0.34 116.97 125.59 2jek h TYR 21 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2jek h TYR 21 Cb 0.02 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 37.89 2jek h TYR 21 CO 0.00 0.75 0.40 -0.09 -1.64 0.00 0.00 178.16 177.58 2jek h ARG 22 N 1.15 1.16 -0.29 1.82 9.65 -1.86 -1.12 114.38 124.90 2jek h ARG 22 Ca 0.30 -0.16 -0.10 0.00 -1.10 0.00 0.00 59.98 58.92 2jek h ARG 22 Cb -0.02 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 2jek h ARG 22 CO -0.05 0.88 -0.24 0.66 2.80 0.00 0.00 179.97 184.02 2jek h SER 23 N 1.15 0.55 0.12 -3.80 4.64 -1.47 -0.91 113.55 113.83 2jek h SER 23 Ca 0.28 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2jek h SER 23 Cb 0.10 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2jek h SER 23 CO -0.04 0.79 -0.15 0.58 -0.87 0.00 0.00 176.83 177.14 2jek h VAL 24 N 0.49 0.65 -0.63 0.95 2.07 -0.55 0.21 116.25 119.43 2jek h VAL 24 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2jek h VAL 24 Cb 0.68 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2jek h VAL 24 CO 0.05 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.58 2jek h VAL 25 N -0.32 1.00 -0.57 2.57 2.07 -0.97 -0.27 116.25 119.76 2jek h VAL 25 Ca 0.01 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2jek h VAL 25 Cb 0.32 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2jek h VAL 25 CO -0.07 0.12 0.03 -0.33 0.02 0.00 0.00 177.57 177.35 2jek h GLU 26 N 0.67 0.99 -0.51 1.57 4.39 -0.92 0.16 114.58 120.93 2jek h GLU 26 Ca 0.27 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2jek h GLU 26 Cb 0.13 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2jek h GLU 26 CO -0.16 0.97 0.11 0.93 -1.16 0.00 0.00 179.01 179.70 2jek h GLU 27 N 0.88 0.82 -0.19 2.33 5.08 -0.57 -1.36 114.58 121.58 2jek h GLU 27 Ca 0.17 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 2jek h GLU 27 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2jek h GLU 27 CO 0.02 0.80 -0.64 -0.07 -1.00 0.00 0.00 179.01 178.12 2jek h LEU 28 N 0.71 0.81 -1.18 1.33 3.38 -0.89 -0.98 115.31 118.49 2jek h LEU 28 Ca 0.16 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.75 2jek h LEU 28 Cb 0.35 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2jek h LEU 28 CO 0.00 1.25 0.58 0.03 0.09 0.00 0.00 178.44 180.39 2jek h ARG 29 N 0.52 0.87 -0.00 1.13 3.08 -0.56 -2.11 114.38 117.31 2jek h ARG 29 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2jek h ARG 29 Cb 1.24 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2jek h ARG 29 CO 0.13 0.58 -0.20 0.00 -1.07 0.00 0.00 179.97 179.41 2jek n ALA 30 N -2.40 2.86 -1.01 0.04 0.00 -0.52 -4.96 120.51 114.51 2jek n ALA 30 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2jek n ALA 30 Cb 0.31 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2jek n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jek n GLY 31 N 1.44 0.47 3.45 0.00 0.00 -0.62 -5.05 105.19 104.89 2jek n GLY 31 Ca 0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 2jek n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jek s ARG 32 N -2.03 0.46 0.15 1.61 3.52 -0.47 -4.39 118.95 117.80 2jek s ARG 32 Ca 0.00 1.22 -0.30 0.00 -0.13 0.00 0.00 55.73 56.51 2jek s ARG 32 Cb 0.00 0.54 -0.08 0.00 -1.56 0.00 0.00 34.95 33.85 2jek s ARG 32 CO 0.00 -0.22 1.29 0.21 -0.81 0.00 0.00 175.30 175.77 2jek s LYS 33 N 2.62 4.40 0.00 5.12 2.20 -0.30 -4.54 119.74 129.25 2jek s LYS 33 Ca -0.04 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 2jek s LYS 33 Cb -0.11 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2jek s LYS 33 CO -0.16 -0.27 0.00 0.54 -0.36 0.00 0.00 175.35 175.10 2jek n ARG 34 N 3.17 2.16 -2.35 4.03 1.74 -1.26 -4.86 116.66 119.28 2jek n ARG 34 Ca 0.08 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.91 2jek n ARG 34 Cb 0.44 -0.90 0.10 0.00 -1.02 0.00 0.00 32.46 31.08 2jek n ARG 34 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jek s GLY 35 N -2.98 1.75 -1.07 -0.13 0.00 -1.26 -5.02 107.32 98.61 2jek s GLY 35 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 44.72 43.27 2jek s GLY 35 CO 0.00 -0.82 1.06 0.30 0.00 0.00 0.00 173.10 173.63 2jek s HIS 36 N -3.28 4.19 0.00 1.90 3.76 -1.26 -4.68 115.29 115.93 2jek s HIS 36 Ca 0.65 -2.58 0.00 0.00 -0.15 0.00 0.00 55.06 52.98 2jek s HIS 36 Cb -0.07 -3.84 0.00 0.00 1.11 0.00 0.00 32.58 29.78 2jek s HIS 36 CO 0.45 -0.96 0.20 -2.67 -0.85 0.00 0.00 174.74 170.92 2jek n TRP 37 N 2.90 0.00 -0.22 1.40 4.27 -1.26 -4.96 117.44 119.57 2jek n TRP 37 Ca 0.22 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.83 2jek n TRP 37 Cb 0.40 0.05 0.11 0.00 -1.36 0.00 0.00 31.31 30.52 2jek n TRP 37 CO 0.00 0.00 0.00 1.98 -2.29 0.00 0.00 177.69 177.38 2jek h MET 38 N 0.00 0.54 -0.31 -2.67 4.05 -1.96 -2.73 114.93 111.85 2jek h MET 38 Ca 0.00 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.43 2jek h MET 38 Cb 0.87 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2jek h MET 38 CO 0.00 0.36 0.21 -1.49 0.23 0.00 0.00 176.91 176.21 2jek h TRP 39 N 0.56 0.24 -0.10 1.39 6.55 -1.93 -1.65 115.95 121.01 2jek h TRP 39 Ca 0.31 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.16 2jek h TRP 39 Cb 0.30 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2jek h TRP 39 CO -0.12 0.14 0.00 1.97 -1.05 0.00 0.00 178.44 179.38 2jek n PHE 40 N -4.49 0.14 -0.09 0.49 1.16 -1.10 -4.05 117.46 109.53 2jek n PHE 40 Ca 0.03 -0.35 -0.14 0.00 -1.87 0.00 0.00 57.45 55.12 2jek n PHE 40 Cb 0.20 -0.03 -0.07 0.00 -1.61 0.00 0.00 39.48 37.96 2jek n PHE 40 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2jek n VAL 41 N 0.02 0.97 -3.76 1.97 0.31 -1.04 -4.79 118.33 112.01 2jek n VAL 41 Ca 0.04 -0.34 -0.28 0.00 -0.01 0.00 0.00 64.34 63.76 2jek n VAL 41 Cb 0.26 -1.28 -0.11 0.00 -0.91 0.00 0.00 33.84 31.80 2jek n VAL 41 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2jek n PHE 42 N -3.22 2.85 -2.15 3.52 3.72 -0.65 -4.83 117.46 116.70 2jek n PHE 42 Ca -0.31 -4.18 -0.35 0.00 -0.05 0.00 0.00 57.45 52.55 2jek n PHE 42 Cb 0.80 -0.53 0.02 0.00 -0.94 0.00 0.00 39.48 38.83 2jek n PHE 42 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2jek s PRO 43 N -1.49 3.19 0.29 -1.08 0.02 -1.26 -4.67 135.00 130.00 2jek s PRO 43 Ca 0.28 1.68 0.04 0.00 0.02 0.00 0.00 61.00 63.03 2jek s PRO 43 Cb 0.00 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 2jek s PRO 43 CO -0.15 -1.00 0.01 1.14 -0.33 0.00 0.00 177.00 176.68 2jek s GLN 44 N -3.33 1.54 0.35 5.54 -2.07 -1.26 -4.18 119.66 116.25 2jek s GLN 44 Ca 0.74 -1.82 -0.29 0.00 -1.82 0.00 0.00 55.36 52.18 2jek s GLN 44 Cb -0.26 -0.86 -0.11 0.00 -1.09 0.00 0.00 33.01 30.69 2jek s GLN 44 CO 0.30 -0.11 1.50 -0.51 -1.32 0.00 0.00 175.29 175.14 2jek s LEU 45 N -3.42 4.33 0.41 2.60 1.43 -1.26 -0.68 118.68 122.09 2jek s LEU 45 Ca 0.33 3.00 -0.26 0.00 -1.03 0.00 0.00 54.13 56.16 2jek s LEU 45 Cb 0.07 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 2jek s LEU 45 CO 0.13 -0.86 1.41 -0.60 0.23 0.00 0.00 176.35 176.66 2jek s ARG 46 N -1.69 3.92 0.00 1.70 3.52 0.39 -2.70 118.95 124.08 2jek s ARG 46 Ca 0.55 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.54 2jek s ARG 46 Cb -0.46 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 2jek s ARG 46 CO 0.59 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 2jek n GLY 47 N 0.58 2.84 0.17 8.12 0.00 -1.26 -4.91 105.19 110.73 2jek n GLY 47 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 2jek n GLY 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jek h LEU 48 N 0.00 0.85 -9.39 0.99 3.38 -1.90 -3.45 115.31 105.79 2jek h LEU 48 Ca 0.00 -0.76 -0.61 0.00 0.09 0.00 0.00 57.88 56.59 2jek h LEU 48 Cb 0.00 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 40.36 2jek h LEU 48 CO 0.00 1.57 -0.70 -0.83 0.09 0.00 0.00 178.44 178.57 2jek s GLY 49 N -4.43 1.72 0.00 0.83 0.00 -1.26 -5.06 107.32 99.12 2jek s GLY 49 Ca -0.09 -1.47 0.06 0.00 0.00 0.00 0.00 44.72 43.22 2jek s GLY 49 CO 0.93 -1.50 0.34 -1.14 0.00 0.00 0.00 173.10 171.73 2jek n SER 50 N -0.10 0.52 -4.76 1.64 3.41 -1.26 -4.40 113.62 108.66 2jek n SER 50 Ca -0.10 -0.76 -0.37 0.00 -0.26 0.00 0.00 58.87 57.38 2jek n SER 50 Cb 0.56 0.82 0.02 0.00 -0.26 0.00 0.00 64.21 65.35 2jek n SER 50 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jek s SER 51 N -1.40 5.60 0.32 4.04 1.04 -1.26 -4.76 113.70 117.27 2jek s SER 51 Ca 0.03 2.43 0.08 0.00 0.48 0.00 0.00 55.95 58.98 2jek s SER 51 Cb 0.05 -2.61 0.91 0.00 0.10 0.00 0.00 66.02 64.48 2jek s SER 51 CO 0.22 -1.32 1.64 -0.65 0.98 0.00 0.00 173.24 174.12 2jek h PRO 52 N 1.46 0.21 0.00 4.02 0.11 -1.99 0.66 132.00 136.48 2jek h PRO 52 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jek h PRO 52 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jek h PRO 52 CO 0.58 0.14 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.44 2jek h LEU 53 N 0.22 -0.00 -1.03 2.35 3.38 -1.99 0.40 115.31 118.64 2jek h LEU 53 Ca 0.65 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.55 2jek h LEU 53 Cb 1.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 2jek h LEU 53 CO -0.67 0.10 0.66 0.00 0.09 0.00 0.00 178.44 178.62 2jek h ALA 54 N 0.89 1.33 -0.00 1.53 0.00 -1.67 -1.89 119.26 119.45 2jek h ALA 54 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jek h ALA 54 Cb 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2jek h ALA 54 CO 0.00 0.59 -0.00 0.28 0.00 0.00 0.00 179.25 180.12 2jek h VAL 55 N 1.29 1.39 -0.51 0.00 2.07 -0.72 -1.03 116.25 118.74 2jek h VAL 55 Ca 0.38 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.85 2jek h VAL 55 Cb -0.06 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 2jek h VAL 55 CO -0.11 0.30 0.05 -0.09 0.02 0.00 0.00 177.57 177.74 2jek h ARG 56 N -0.47 0.17 -0.27 1.57 2.43 -0.82 -2.07 114.38 114.93 2jek h ARG 56 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2jek h ARG 56 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2jek h ARG 56 CO 0.00 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.23 2jek n TYR 57 N -5.18 0.34 -2.15 2.20 4.01 -0.72 -4.91 117.16 110.75 2jek n TYR 57 Ca 0.06 -0.17 -0.39 0.00 -0.16 0.00 0.00 57.90 57.24 2jek n TYR 57 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.29 2jek n TYR 57 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jek s GLY 58 N -1.51 2.88 -0.04 2.72 0.00 -0.39 -4.57 107.32 106.41 2jek s GLY 58 Ca 0.34 1.10 -0.26 0.00 0.00 0.00 0.00 44.72 45.91 2jek s GLY 58 CO 0.28 1.64 0.80 -0.42 0.00 0.00 0.00 173.10 175.40 2jek s ILE 59 N -1.35 4.97 0.23 0.90 -1.09 0.14 -4.54 121.20 120.46 2jek s ILE 59 Ca 0.59 1.66 0.09 0.00 -2.23 0.00 0.00 60.65 60.76 2jek s ILE 59 Cb -0.34 -4.14 -0.07 0.00 -1.58 0.00 0.00 42.46 36.33 2jek s ILE 59 CO 0.43 0.23 1.53 0.77 -1.23 0.00 0.00 174.94 176.66 2jek h SER 60 N 6.71 0.03 -5.13 3.58 4.64 -1.93 0.11 113.55 121.56 2jek h SER 60 Ca -0.41 -0.02 0.14 0.00 -0.47 0.00 0.00 61.79 61.03 2jek h SER 60 Cb 1.21 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 2jek h SER 60 CO 0.75 0.73 0.43 -0.94 -0.87 0.00 0.00 176.83 176.93 2jek s SER 61 N -6.82 -0.25 0.34 4.97 1.04 -1.26 -4.84 113.70 106.87 2jek s SER 61 Ca -0.01 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.12 2jek s SER 61 Cb 0.12 0.51 0.64 0.00 0.10 0.00 0.00 66.02 67.38 2jek s SER 61 CO 0.78 -0.91 1.97 0.25 0.98 0.00 0.00 173.24 176.31 2jek h LEU 62 N 2.00 0.76 -0.92 2.42 5.85 -1.97 -2.06 115.31 121.38 2jek h LEU 62 Ca -0.24 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 2jek h LEU 62 Cb 1.24 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 2jek h LEU 62 CO 0.27 0.52 0.35 -0.33 -0.34 0.00 0.00 178.44 178.91 2jek h GLU 63 N 0.88 1.13 -0.64 1.25 3.07 -1.98 0.11 114.58 118.40 2jek h GLU 63 Ca 0.29 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 2jek h GLU 63 Cb 0.07 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2jek h GLU 63 CO -0.08 0.89 0.05 1.49 -1.40 0.00 0.00 179.01 179.95 2jek h GLU 64 N 1.12 1.10 -0.98 2.33 4.81 -1.82 -0.86 114.58 120.29 2jek h GLU 64 Ca 0.27 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jek h GLU 64 Cb 0.15 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2jek h GLU 64 CO -0.03 1.04 0.65 0.00 -0.73 0.00 0.00 179.01 179.93 2jek h ALA 65 N 1.02 1.32 -0.48 2.92 0.00 -0.71 0.89 119.26 124.22 2jek h ALA 65 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2jek h ALA 65 Cb 0.51 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jek h ALA 65 CO 0.02 0.62 -0.03 1.96 0.00 0.00 0.00 179.25 181.83 2jek h GLN 66 N 1.30 0.87 -0.69 0.00 4.20 -0.67 -1.64 115.11 118.48 2jek h GLN 66 Ca 0.36 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2jek h GLN 66 Cb -0.12 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2jek h GLN 66 CO -0.09 0.92 0.35 0.00 -0.67 0.00 0.00 178.83 179.34 2jek h ALA 67 N 0.91 1.32 -0.38 3.87 0.00 -0.66 -1.78 119.26 122.54 2jek h ALA 67 Ca 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jek h ALA 67 Cb 0.55 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2jek h ALA 67 CO 0.03 0.54 0.22 -0.92 0.00 0.00 0.00 179.25 179.13 2jek h TYR 68 N 0.97 0.51 -0.32 0.00 3.20 -0.46 -1.85 116.97 119.02 2jek h TYR 68 Ca 0.24 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 2jek h TYR 68 Cb 0.07 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2jek h TYR 68 CO 0.01 0.37 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.81 2jek h LEU 69 N 0.50 0.47 -0.95 2.82 3.38 -1.00 -2.50 115.31 118.02 2jek h LEU 69 Ca 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2jek h LEU 69 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jek h LEU 69 CO -0.02 0.55 -0.29 1.56 0.09 0.00 0.00 178.44 180.33 2jek h GLN 70 N 0.48 0.00 -6.54 1.13 4.20 -0.89 -3.37 115.11 110.11 2jek h GLN 70 Ca 0.10 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.28 2jek h GLN 70 Cb 0.34 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.16 2jek h GLN 70 CO 0.01 0.29 1.02 -1.58 -0.67 0.00 0.00 178.83 177.90 2jek s HIS 71 N -3.58 2.55 -1.50 2.96 2.46 -0.73 -4.86 115.29 112.59 2jek s HIS 71 Ca 0.01 0.27 0.23 0.00 0.47 0.00 0.00 55.06 56.04 2jek s HIS 71 Cb 0.10 -4.06 1.19 0.00 -0.13 0.00 0.00 32.58 29.68 2jek s HIS 71 CO 0.66 -4.20 1.76 -3.47 -2.47 0.00 0.00 174.74 167.02 2jek n ASP 72 N 4.99 0.00 -0.10 9.88 2.03 -1.26 -1.15 116.55 130.94 2jek n ASP 72 Ca 0.16 -0.12 -0.20 0.00 0.52 0.00 0.00 54.79 55.15 2jek n ASP 72 Cb 0.38 -0.25 -0.07 0.00 -0.72 0.00 0.00 41.12 40.46 2jek n ASP 72 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jek n LEU 73 N -1.25 1.67 -0.12 -2.67 7.94 -1.26 -4.57 117.00 116.73 2jek n LEU 73 Ca 0.12 0.29 -0.13 0.00 -1.11 0.00 0.00 56.01 55.18 2jek n LEU 73 Cb 0.17 -0.68 -0.02 0.00 0.53 0.00 0.00 43.42 43.42 2jek n LEU 73 CO 0.17 0.25 0.59 -0.07 -1.11 0.00 0.00 177.39 177.22 2jek h LEU 74 N -0.83 0.92 0.76 -1.96 3.38 -1.79 -1.94 115.31 113.84 2jek h LEU 74 Ca -0.43 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.06 2jek h LEU 74 Cb 1.32 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.83 2jek h LEU 74 CO -0.26 1.17 -0.36 1.23 0.09 0.00 0.00 178.44 180.31 2jek h GLY 75 N 0.67 -1.06 0.63 0.83 0.00 -0.90 -0.81 103.07 102.44 2jek h GLY 75 Ca 0.07 0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.90 2jek h GLY 75 CO 0.08 -0.38 0.59 -2.55 0.00 0.00 0.00 176.54 174.27 2jek h PRO 76 N -1.08 0.83 -0.69 4.80 0.11 -1.72 -1.72 132.00 132.53 2jek h PRO 76 Ca -0.10 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 2jek h PRO 76 Cb 0.79 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 2jek h PRO 76 CO 0.17 0.55 0.22 0.00 -0.21 0.00 0.00 178.00 178.74 2jek h ARG 77 N 0.86 1.07 -0.72 1.05 3.08 -1.21 0.75 114.38 119.25 2jek h ARG 77 Ca 0.44 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 2jek h ARG 77 Cb 0.50 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2jek h ARG 77 CO -0.20 0.92 0.21 1.25 -1.07 0.00 0.00 179.97 181.08 2jek h LEU 78 N 1.01 1.05 -0.58 3.04 5.85 -0.35 0.50 115.31 125.82 2jek h LEU 78 Ca 0.22 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 2jek h LEU 78 Cb 0.29 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2jek h LEU 78 CO -0.01 0.98 -0.19 0.45 -0.34 0.00 0.00 178.44 179.33 2jek h HIS 79 N 1.07 1.06 -0.33 1.25 3.86 -1.11 -0.65 115.15 120.29 2jek h HIS 79 Ca 0.23 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2jek h HIS 79 Cb 0.32 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2jek h HIS 79 CO 0.03 1.03 0.14 1.49 0.86 0.00 0.00 177.93 181.48 2jek h GLU 80 N 0.81 0.29 -0.40 2.45 4.81 -0.32 0.47 114.58 122.69 2jek h GLU 80 Ca 0.11 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 2jek h GLU 80 Cb 0.74 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2jek h GLU 80 CO 0.06 0.20 -0.34 0.00 -0.73 0.00 0.00 179.01 178.19 2jek h THR 82 N 0.76 1.14 -0.92 0.00 2.02 -1.00 -2.62 112.91 112.28 2jek h THR 82 Ca 0.07 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2jek h THR 82 Cb 0.93 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 2jek h THR 82 CO 0.09 0.14 0.52 1.23 0.37 0.00 0.00 175.52 177.88 2jek h GLY 83 N 0.49 1.36 1.01 2.16 0.00 -0.62 -0.97 103.07 106.49 2jek h GLY 83 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2jek h GLY 83 CO -0.02 0.57 0.48 1.41 0.00 0.00 0.00 176.54 178.98 2jek h LEU 84 N 1.28 0.89 -0.42 3.11 3.38 -1.04 -1.71 115.31 120.81 2jek h LEU 84 Ca 0.33 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 2jek h LEU 84 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2jek h LEU 84 CO -0.06 0.67 0.06 0.58 0.09 0.00 0.00 178.44 179.79 2jek h VAL 85 N 1.04 1.24 0.00 1.22 2.07 -1.07 -2.77 116.25 117.98 2jek h VAL 85 Ca 0.28 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2jek h VAL 85 Cb -0.08 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2jek h VAL 85 CO -0.06 0.31 -0.01 0.78 0.02 0.00 0.00 177.57 178.61 2jek h ASN 86 N 0.55 0.00 1.79 0.57 2.35 -0.79 -2.53 115.58 117.52 2jek h ASN 86 Ca 0.13 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2jek h ASN 86 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2jek h ASN 86 CO 0.01 0.01 -0.18 -0.61 -1.65 0.00 0.00 177.43 175.01 2jek h GLN 87 N 0.00 0.00 -6.74 0.81 4.15 -1.03 -3.46 115.11 108.84 2jek h GLN 87 Ca -0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 2jek h GLN 87 Cb 0.02 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.77 2jek h GLN 87 CO 0.00 0.18 0.80 0.08 -1.93 0.00 0.00 178.83 177.96 2jek s VAL 88 N -3.14 2.54 -0.02 2.39 1.01 -0.96 -5.01 120.40 117.21 2jek s VAL 88 Ca 0.06 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.53 2jek s VAL 88 Cb 0.06 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2jek s VAL 88 CO 0.69 0.07 -0.15 -1.10 0.00 0.00 0.00 175.10 174.61 2jek s GLN 89 N -0.20 2.40 0.00 2.72 -1.52 -1.26 -4.73 119.66 117.06 2jek s GLN 89 Ca 0.61 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 53.25 2jek s GLN 89 Cb -0.43 -2.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 2jek s GLN 89 CO 0.43 0.60 0.00 0.41 -0.25 0.00 0.00 175.29 176.48 2jek n GLY 90 N 2.08 0.94 3.38 3.09 0.00 -1.26 -5.02 105.19 108.40 2jek n GLY 90 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2jek n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jek s ARG 91 N -0.10 2.53 0.74 1.61 0.52 -1.26 -5.12 118.95 117.87 2jek s ARG 91 Ca 0.00 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.31 2jek s ARG 91 Cb 0.00 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 33.22 2jek s ARG 91 CO 0.00 0.51 1.08 -1.54 0.02 0.00 0.00 175.30 175.37 2jek s SER 92 N -0.46 4.94 0.45 0.23 1.04 -1.26 -4.94 113.70 113.70 2jek s SER 92 Ca 0.05 1.51 0.16 0.00 0.48 0.00 0.00 55.95 58.15 2jek s SER 92 Cb -0.12 -2.31 1.02 0.00 0.10 0.00 0.00 66.02 64.71 2jek s SER 92 CO 0.01 -1.71 1.98 -0.29 0.98 0.00 0.00 173.24 174.21 2jek h ILE 93 N -0.90 1.07 0.00 -1.02 6.09 -1.94 -1.27 117.51 119.54 2jek h ILE 93 Ca -0.45 -0.71 0.00 0.00 -1.37 0.00 0.00 64.86 62.33 2jek h ILE 93 Cb 1.24 1.39 0.00 0.00 0.47 0.00 0.00 36.82 39.91 2jek h ILE 93 CO 0.57 0.20 0.00 -0.33 -3.07 0.00 0.00 178.15 175.52 2jek h GLU 94 N 0.00 0.00 0.00 2.19 3.07 -1.93 0.19 114.58 118.10 2jek h GLU 94 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 2jek h GLU 94 Cb 0.37 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2jek h GLU 94 CO 0.03 0.00 -0.66 0.93 -1.40 0.00 0.00 179.01 177.91 2jek h GLU 95 N 0.00 0.00 0.06 2.33 5.08 -1.60 -3.30 114.58 117.15 2jek h GLU 95 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2jek h GLU 95 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2jek h GLU 95 CO 0.00 0.52 -1.63 -0.89 -1.00 0.00 0.00 179.01 176.01 2jek n ILE 96 N -3.20 1.66 -4.01 3.13 5.41 -0.80 -4.78 119.36 116.77 2jek n ILE 96 Ca 0.00 -0.34 -0.31 0.00 1.00 0.00 0.00 62.75 63.10 2jek n ILE 96 Cb 0.77 -1.89 -0.15 0.00 -0.71 0.00 0.00 39.64 37.65 2jek n ILE 96 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2jek s PHE 97 N -2.46 3.35 0.47 1.39 0.08 0.60 -1.14 117.98 120.26 2jek s PHE 97 Ca -0.26 -2.59 -0.24 0.00 0.12 0.00 0.00 56.93 53.96 2jek s PHE 97 Cb 0.06 -2.40 -0.07 0.00 -0.57 0.00 0.00 43.02 40.04 2jek s PHE 97 CO 0.68 -0.91 1.33 0.20 -0.10 0.00 0.00 175.22 176.43 2jek s GLY 98 N 1.05 2.89 0.42 4.36 0.00 -1.24 -3.68 107.32 111.12 2jek s GLY 98 Ca 0.03 1.28 -0.24 0.00 0.00 0.00 0.00 44.72 45.79 2jek s GLY 98 CO -0.08 1.84 0.94 -1.05 0.00 0.00 0.00 173.10 174.75 2jek n PRO 99 N -0.40 1.21 -0.26 2.90 -0.02 -1.26 -0.78 135.00 136.40 2jek n PRO 99 Ca 0.07 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 2jek n PRO 99 Cb 0.44 -1.96 0.20 0.00 -0.02 0.00 0.00 33.50 32.16 2jek n PRO 99 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jek n PRO 100 N 0.19 2.15 0.26 0.52 -0.04 -1.26 -4.90 135.00 131.92 2jek n PRO 100 Ca 0.10 -1.58 0.15 0.00 -0.04 0.00 0.00 63.50 62.13 2jek n PRO 100 Cb 0.39 -1.41 0.67 0.00 -0.04 0.00 0.00 33.50 33.11 2jek n PRO 100 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2jek h ASP 101 N 2.49 0.00 -0.84 3.54 3.32 -1.22 -2.15 116.42 121.55 2jek h ASP 101 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2jek h ASP 101 Cb 0.67 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 2jek h ASP 101 CO 0.03 0.08 0.40 -2.24 -1.72 0.00 0.00 179.24 175.80 2jek h ASP 102 N 0.00 1.11 -0.17 6.45 2.03 -1.64 -0.60 116.42 123.60 2jek h ASP 102 Ca -0.00 -0.14 -0.20 0.00 -0.73 0.00 0.00 57.03 55.96 2jek h ASP 102 Cb 0.51 -0.29 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2jek h ASP 102 CO 0.01 0.94 -0.66 -0.07 -1.03 0.00 0.00 179.24 178.44 2jek h LEU 103 N 1.21 0.90 -0.78 0.15 3.38 -1.77 -2.00 115.31 116.40 2jek h LEU 103 Ca 0.29 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2jek h LEU 103 Cb 0.13 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2jek h LEU 103 CO -0.03 1.33 0.47 0.11 0.09 0.00 0.00 178.44 180.40 2jek h LYS 104 N 0.57 0.84 -0.34 1.13 1.57 -1.18 -0.47 116.57 118.70 2jek h LYS 104 Ca -0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2jek h LYS 104 Cb 1.27 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2jek h LYS 104 CO 0.14 0.56 0.03 1.25 -0.57 0.00 0.00 179.45 180.85 2jek h LEU 105 N 0.87 0.56 -0.50 2.94 5.85 -0.99 -0.17 115.31 123.87 2jek h LEU 105 Ca 0.34 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jek h LEU 105 Cb 0.15 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2jek h LEU 105 CO -0.16 0.70 0.18 0.00 -0.34 0.00 0.00 178.44 178.82 2jek h SER 107 N 0.36 0.97 -0.06 0.00 0.02 -0.75 -0.53 113.55 113.54 2jek h SER 107 Ca 0.24 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2jek h SER 107 Cb 0.25 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jek h SER 107 CO -0.24 0.76 0.02 -1.28 -1.14 0.00 0.00 176.83 174.96 2jek h SER 108 N 1.09 0.09 -0.59 3.07 0.87 -0.41 -1.64 113.55 116.02 2jek h SER 108 Ca 0.28 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2jek h SER 108 Cb -0.01 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2jek h SER 108 CO -0.05 0.26 0.21 0.24 -0.53 0.00 0.00 176.83 176.96 2jek h MET 109 N -0.08 0.94 -0.24 2.24 2.86 -0.80 -1.40 114.93 118.46 2jek h MET 109 Ca 0.02 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2jek h MET 109 Cb 0.20 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2jek h MET 109 CO -0.00 0.80 0.11 1.15 1.06 0.00 0.00 176.91 180.03 2jek h THR 110 N 0.92 1.14 0.32 2.22 2.02 -0.99 0.45 112.91 118.99 2jek h THR 110 Ca 0.21 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2jek h THR 110 Cb 0.24 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2jek h THR 110 CO -0.01 0.14 -0.18 0.25 0.37 0.00 0.00 175.52 176.09 2jek h LEU 111 N 0.25 -0.43 -0.84 2.58 5.85 -1.01 -2.57 115.31 119.15 2jek h LEU 111 Ca 0.08 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2jek h LEU 111 Cb 0.12 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2jek h LEU 111 CO -0.01 -0.29 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.00 2jek h PHE 112 N -0.46 0.00 -0.09 1.25 0.04 -1.18 -1.61 116.94 114.89 2jek h PHE 112 Ca -0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2jek h PHE 112 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2jek h PHE 112 CO -0.08 0.54 -0.10 0.00 -0.60 0.00 0.00 178.31 178.07 2jek h ALA 113 N 1.46 1.67 0.00 2.45 0.00 -0.85 -2.29 119.26 121.70 2jek h ALA 113 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jek h ALA 113 Cb 1.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jek h ALA 113 CO 0.07 0.25 -0.42 0.00 0.00 0.00 0.00 179.25 179.15 2jek h ARG 114 N 0.13 0.00 0.00 0.00 2.47 -0.92 -3.34 114.38 112.72 2jek h ARG 114 Ca 0.03 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.60 2jek h ARG 114 Cb 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 2jek h ARG 114 CO 0.02 0.00 -0.70 0.00 0.56 0.00 0.00 179.97 179.84 2jek h ALA 115 N 2.23 0.64 -2.72 0.04 0.00 -0.72 -3.46 119.26 115.27 2jek h ALA 115 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 2jek h ALA 115 Cb 0.88 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.35 2jek h ALA 115 CO 0.00 0.88 -0.42 -0.08 0.00 0.00 0.00 179.25 179.63 2jek s THR 116 N -3.06 0.07 -0.54 0.00 -1.32 -1.18 -4.80 115.64 104.81 2jek s THR 116 Ca 0.01 -0.55 0.26 0.00 -1.21 0.00 0.00 61.69 60.20 2jek s THR 116 Cb 0.10 -0.48 0.31 0.00 -1.51 0.00 0.00 72.50 70.92 2jek s THR 116 CO 0.77 -0.30 1.74 0.44 -2.21 0.00 0.00 174.62 175.06 2jek h ASP 117 N 4.30 0.00 -0.45 8.08 3.32 -1.89 -3.35 116.42 126.43 2jek h ASP 117 Ca -0.30 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.04 2jek h ASP 117 Cb 1.19 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 2jek h ASP 117 CO 0.40 0.00 3.12 0.00 -1.72 0.00 0.00 179.24 181.04 2jek n ALA 118 N -1.90 6.63 -1.10 3.45 0.00 -1.26 -4.60 120.51 121.73 2jek n ALA 118 Ca 0.04 -3.85 0.10 0.00 0.00 0.00 0.00 53.44 49.73 2jek n ALA 118 Cb 0.42 -3.23 0.15 0.00 0.00 0.00 0.00 19.45 16.80 2jek n ALA 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jek n ASN 119 N 3.79 2.42 -0.29 0.00 0.23 -1.26 -4.82 115.26 115.33 2jek n ASN 119 Ca 0.63 -3.13 0.06 0.00 -0.53 0.00 0.00 54.58 51.61 2jek n ASN 119 Cb 0.29 -0.44 0.27 0.00 -2.08 0.00 0.00 39.78 37.82 2jek n ASN 119 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 2jek h GLN 120 N 0.18 0.92 -0.18 -3.83 -0.00 -1.93 -0.81 115.11 109.45 2jek h GLN 120 Ca 0.00 -0.06 -0.19 0.00 -0.00 0.00 0.00 58.65 58.41 2jek h GLN 120 Cb 1.03 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 28.31 2jek h GLN 120 CO 0.02 0.61 -0.65 0.38 -0.00 0.00 0.00 178.83 179.18 2jek h ASP 121 N 0.95 0.76 -0.24 0.06 2.03 -1.99 0.08 116.42 118.07 2jek h ASP 121 Ca 0.40 -0.45 -0.03 0.00 -0.73 0.00 0.00 57.03 56.22 2jek h ASP 121 Cb 0.32 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 2jek h ASP 121 CO -0.16 1.21 0.02 -0.26 -1.03 0.00 0.00 179.24 179.02 2jek h PHE 122 N 0.48 0.45 -0.38 4.15 0.04 -1.67 -1.68 116.94 118.33 2jek h PHE 122 Ca -0.02 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 2jek h PHE 122 Cb 1.24 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 2jek h PHE 122 CO 0.06 0.56 -0.28 0.28 -0.60 0.00 0.00 178.31 178.33 2jek h VAL 123 N 0.21 1.28 -0.96 -0.55 2.07 -1.20 -2.37 116.25 114.72 2jek h VAL 123 Ca 0.07 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.21 2jek h VAL 123 Cb 0.36 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2jek h VAL 123 CO 0.01 0.47 0.63 0.00 0.02 0.00 0.00 177.57 178.70 2jek h ALA 124 N 1.01 1.36 -0.27 1.67 0.00 -0.86 0.58 119.26 122.75 2jek h ALA 124 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2jek h ALA 124 Cb 0.81 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jek h ALA 124 CO 0.07 0.56 0.02 1.25 0.00 0.00 0.00 179.25 181.15 2jek h LEU 125 N 1.24 0.44 -1.07 0.00 6.46 -0.96 -0.03 115.31 121.39 2jek h LEU 125 Ca 0.37 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 2jek h LEU 125 Cb -0.04 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 2jek h LEU 125 CO -0.10 0.62 0.62 -0.07 -0.62 0.00 0.00 178.44 178.89 2jek h LEU 126 N 0.26 1.09 -0.43 2.25 3.38 -0.98 -0.69 115.31 120.19 2jek h LEU 126 Ca 0.08 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2jek h LEU 126 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jek h LEU 126 CO 0.01 0.79 -0.03 0.00 0.09 0.00 0.00 178.44 179.29 2jek h ALA 127 N 1.41 0.58 -0.13 1.53 0.00 -0.60 -0.14 119.26 121.92 2jek h ALA 127 Ca 0.35 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2jek h ALA 127 Cb -0.15 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jek h ALA 127 CO -0.07 0.40 -0.77 -0.22 0.00 0.00 0.00 179.25 178.59 2jek h LYS 128 N 0.62 0.75 0.00 0.00 3.64 -0.68 -3.32 116.57 117.57 2jek h LYS 128 Ca 0.12 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2jek h LYS 128 Cb 0.54 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2jek h LYS 128 CO 0.03 1.24 -1.13 0.66 -2.27 0.00 0.00 179.45 177.98 2jek n TYR 129 N -3.97 0.00 -1.49 1.91 4.01 -0.29 -4.65 117.16 112.68 2jek n TYR 129 Ca -0.08 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.72 2jek n TYR 129 Cb 0.74 -0.15 0.09 0.00 -0.31 0.00 0.00 39.34 39.72 2jek n TYR 129 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jek n TYR 130 N -1.64 0.00 -2.21 -0.72 4.01 -0.24 -4.70 117.16 111.66 2jek n TYR 130 Ca -0.01 -0.68 -0.20 0.00 -0.16 0.00 0.00 57.90 56.86 2jek n TYR 130 Cb 0.21 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 2jek n TYR 130 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jek n GLY 131 N -0.84 0.08 2.65 2.72 0.00 -1.10 -1.05 105.19 107.65 2jek n GLY 131 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jek n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jek n GLY 132 N -0.84 0.68 3.88 -0.02 0.00 -0.23 -4.94 105.19 103.72 2jek n GLY 132 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2jek n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jek s GLY 133 N -2.00 1.60 0.17 -0.02 0.00 -0.22 -4.83 107.32 102.02 2jek s GLY 133 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.24 2jek s GLY 133 CO 0.00 -0.07 -0.08 -0.54 0.00 0.00 0.00 173.10 172.42 2jek s GLU 134 N -5.47 1.14 -0.32 2.90 2.02 -1.26 -4.86 118.70 112.85 2jek s GLU 134 Ca 0.61 -1.51 -0.29 0.00 0.02 0.00 0.00 54.97 53.80 2jek s GLU 134 Cb -0.11 -0.63 -0.00 0.00 0.10 0.00 0.00 34.13 33.49 2jek s GLU 134 CO 0.50 0.03 1.40 0.34 0.02 0.00 0.00 175.26 177.56 2jek s ASP 135 N -3.21 6.50 0.18 -0.19 2.15 -1.26 -4.90 116.67 115.95 2jek s ASP 135 Ca 0.20 1.18 -0.13 0.00 0.43 0.00 0.00 52.55 54.22 2jek s ASP 135 Cb 0.03 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.30 2jek s ASP 135 CO 0.03 -1.23 1.71 -0.09 -0.17 0.00 0.00 175.17 175.42 2jek h ARG 136 N 10.04 0.20 -0.30 4.34 2.43 -1.98 -1.95 114.38 127.16 2jek h ARG 136 Ca -0.28 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.77 2jek h ARG 136 Cb 1.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2jek h ARG 136 CO 1.04 0.13 -0.26 0.00 -1.51 0.00 0.00 179.97 179.37 2jek h ARG 137 N 0.21 0.59 -0.21 0.20 3.08 -2.00 -2.11 114.38 114.14 2jek h ARG 137 Ca 0.24 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2jek h ARG 137 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2jek h ARG 137 CO -0.33 0.80 0.01 1.15 -1.07 0.00 0.00 179.97 180.53 2jek h THR 138 N 0.51 1.24 -0.90 2.04 2.02 -1.83 -1.59 112.91 114.41 2jek h THR 138 Ca 0.07 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.47 2jek h THR 138 Cb 0.72 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 2jek h THR 138 CO 0.06 0.25 0.58 0.58 0.37 0.00 0.00 175.52 177.36 2jek h VAL 139 N 0.13 1.14 -0.20 3.16 2.07 -1.21 -1.35 116.25 119.98 2jek h VAL 139 Ca 0.06 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2jek h VAL 139 Cb 0.36 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2jek h VAL 139 CO 0.01 0.20 0.07 0.00 0.02 0.00 0.00 177.57 177.87 2jek h ALA 140 N 1.38 0.27 0.00 1.67 0.00 -1.26 -2.39 119.26 118.91 2jek h ALA 140 Ca 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2jek h ALA 140 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jek h ALA 140 CO -0.13 -0.13 -0.13 -0.07 0.00 0.00 0.00 179.25 178.80 2jek h LEU 141 N 0.17 0.00 -0.14 0.00 3.38 -0.95 -2.73 115.31 115.04 2jek h LEU 141 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jek h LEU 141 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jek h LEU 141 CO -0.00 0.13 -0.44 0.18 0.09 0.00 0.00 178.44 178.40 2jek n LEU 142 N -3.83 0.66 -0.22 1.67 4.77 -0.54 -4.39 117.00 115.12 2jek n LEU 142 Ca -0.02 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.82 2jek n LEU 142 Cb 0.23 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2jek n LEU 142 CO 0.31 0.15 1.13 0.00 -1.33 0.00 0.00 177.39 177.64 2jek h ALA 143 N 3.19 0.79 -3.22 -1.18 0.00 -1.11 -3.40 119.26 114.34 2jek h ALA 143 Ca 0.00 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.20 2jek h ALA 143 Cb 0.50 -0.25 -0.27 0.00 0.00 0.00 0.00 17.79 17.76 2jek h ALA 143 CO 0.00 0.24 -0.76 0.08 0.00 0.00 0.00 179.25 178.81 2jek s VAL 144 N -6.09 3.08 -2.00 0.00 1.01 -1.26 -5.15 120.40 109.99 2jek s VAL 144 Ca -0.13 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2jek s VAL 144 Cb 0.13 -2.32 0.11 0.00 0.00 0.00 0.00 36.38 34.30 2jek s VAL 144 CO 0.76 0.50 0.71 0.35 0.00 0.00 0.00 175.10 177.43