#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg3 h LYS 15 N 0.00 1.17 -0.03 3.49 6.56 -2.05 0.07 116.57 125.77 1jg3 h LYS 15 Ca 0.00 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1jg3 h LYS 15 Cb 0.00 -0.26 -0.00 0.00 -0.57 0.00 0.00 32.23 31.40 1jg3 h LYS 15 CO 0.00 0.77 0.01 1.49 -2.06 0.00 0.00 179.45 179.66 1jg3 h GLU 16 N 1.20 0.05 -0.87 3.15 4.57 -2.05 -1.42 114.58 119.21 1jg3 h GLU 16 Ca 0.34 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.58 1jg3 h GLU 16 Cb -0.10 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.42 1jg3 h GLU 16 CO -0.08 0.23 0.54 -0.07 -1.18 0.00 0.00 179.01 178.44 1jg3 h LEU 17 N -0.13 0.84 -0.54 1.64 3.38 -1.78 -1.43 115.31 117.28 1jg3 h LEU 17 Ca 0.01 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1jg3 h LEU 17 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jg3 h LEU 17 CO -0.00 0.53 -0.42 0.22 0.09 0.00 0.00 178.44 178.85 1jg3 h TYR 18 N 0.97 0.85 -0.56 1.13 3.20 -0.86 -1.76 116.97 119.95 1jg3 h TYR 18 Ca 0.38 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1jg3 h TYR 18 Cb 0.20 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1jg3 h TYR 18 CO -0.03 1.01 0.06 0.93 -1.64 0.00 0.00 178.16 178.48 1jg3 h GLU 19 N 0.57 0.91 -0.39 1.82 5.08 -0.73 0.34 114.58 122.18 1jg3 h GLU 19 Ca 0.04 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1jg3 h GLU 19 Cb 0.97 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1jg3 h GLU 19 CO 0.09 0.87 -0.15 0.87 -1.00 0.00 0.00 179.01 179.69 1jg3 h LYS 20 N 0.86 0.72 -0.50 2.33 1.57 -1.14 -2.73 116.57 117.68 1jg3 h LYS 20 Ca 0.17 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1jg3 h LYS 20 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1jg3 h LYS 20 CO 0.01 0.84 0.10 2.35 -0.57 0.00 0.00 179.45 182.18 1jg3 h TRP 21 N 0.65 0.86 -0.34 -1.35 2.91 -0.46 -2.11 115.95 116.11 1jg3 h TRP 21 Ca 0.10 -0.11 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1jg3 h TRP 21 Cb 0.63 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 1jg3 h TRP 21 CO 0.03 0.78 0.18 0.52 -1.03 0.00 0.00 178.44 178.92 1jg3 h MET 22 N 0.69 0.46 -0.55 2.65 2.86 -0.78 0.01 114.93 120.28 1jg3 h MET 22 Ca 0.15 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1jg3 h MET 22 Cb 0.37 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1jg3 h MET 22 CO 0.01 0.35 -0.03 -0.09 1.06 0.00 0.00 176.91 178.21 1jg3 h ARG 23 N 0.47 1.00 -0.30 1.72 9.65 -1.16 -0.27 114.38 125.49 1jg3 h ARG 23 Ca 0.12 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1jg3 h ARG 23 Cb 0.02 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1jg3 h ARG 23 CO -0.02 1.01 0.17 1.15 2.80 0.00 0.00 179.97 185.08 1jg3 h THR 24 N 0.88 1.11 -0.45 0.20 2.02 -0.46 -0.62 112.91 115.59 1jg3 h THR 24 Ca 0.15 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1jg3 h THR 24 Cb 0.58 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1jg3 h THR 24 CO 0.03 0.11 0.28 0.58 0.37 0.00 0.00 175.52 176.90 1jg3 h VAL 25 N 0.37 1.13 -0.65 3.16 2.07 -0.86 -1.14 116.25 120.33 1jg3 h VAL 25 Ca 0.11 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1jg3 h VAL 25 Cb 0.03 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1jg3 h VAL 25 CO -0.02 0.13 0.39 -0.08 0.02 0.00 0.00 177.57 178.01 1jg3 h GLU 26 N 0.60 0.73 -0.04 1.57 4.57 -0.74 -0.66 114.58 120.61 1jg3 h GLU 26 Ca 0.16 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1jg3 h GLU 26 Cb -0.03 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 1jg3 h GLU 26 CO -0.03 0.48 -0.06 1.98 -1.18 0.00 0.00 179.01 180.20 1jg3 h MET 27 N 0.75 -0.08 -0.80 1.92 4.05 -0.60 0.27 114.93 120.43 1jg3 h MET 27 Ca 0.27 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.76 1jg3 h MET 27 Cb 0.08 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 1jg3 h MET 27 CO -0.13 -0.05 0.53 -0.07 0.23 0.00 0.00 176.91 177.41 1jg3 h LEU 28 N -0.08 0.79 -0.37 3.39 3.38 -0.64 0.29 115.31 122.07 1jg3 h LEU 28 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1jg3 h LEU 28 Cb 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jg3 h LEU 28 CO -0.09 0.52 -0.65 0.11 0.09 0.00 0.00 178.44 178.42 1jg3 h LYS 29 N 0.90 0.63 -0.41 1.13 1.57 -0.55 0.33 116.57 120.18 1jg3 h LYS 29 Ca 0.34 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1jg3 h LYS 29 Cb 0.19 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1jg3 h LYS 29 CO -0.12 1.07 -0.09 0.00 -0.57 0.00 0.00 179.45 179.75 1jg3 h ALA 30 N 0.82 1.09 -0.00 3.86 0.00 0.98 -2.01 119.26 123.99 1jg3 h ALA 30 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jg3 h ALA 30 Cb 1.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1jg3 h ALA 30 CO 0.13 0.57 -0.03 0.39 0.00 0.00 0.00 179.25 180.30 1jg3 n GLU 31 N -4.19 0.56 -1.06 0.00 1.02 0.89 -4.90 120.64 112.97 1jg3 n GLU 31 Ca 0.01 -0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.06 1jg3 n GLU 31 Cb 0.34 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 1jg3 n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jg3 n GLY 32 N 1.26 0.54 0.07 0.62 0.00 -0.75 -4.94 105.19 101.99 1jg3 n GLY 32 Ca 0.15 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1jg3 n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jg3 h ILE 33 N 0.00 1.65 -3.60 -0.61 1.08 -0.59 -3.42 117.51 112.02 1jg3 h ILE 33 Ca -0.04 -2.26 -0.62 0.00 -0.39 0.00 0.00 64.86 61.54 1jg3 h ILE 33 Cb 0.15 3.14 -0.13 0.00 -3.07 0.00 0.00 36.82 36.91 1jg3 h ILE 33 CO 0.06 0.56 -0.04 -0.63 -0.69 0.00 0.00 178.15 177.41 1jg3 s ILE 34 N -2.19 5.07 0.00 -0.67 1.01 -0.87 -4.57 121.20 118.97 1jg3 s ILE 34 Ca -0.18 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1jg3 s ILE 34 Cb -0.02 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1jg3 s ILE 34 CO 0.65 0.04 0.07 -2.11 0.00 0.00 0.00 174.94 173.59 1jg3 n ARG 35 N 5.56 3.83 -4.35 2.79 -4.01 -1.26 -4.29 116.66 114.94 1jg3 n ARG 35 Ca -0.05 -0.07 -0.27 0.00 -1.04 0.00 0.00 57.85 56.43 1jg3 n ARG 35 Cb 0.50 -0.46 -0.10 0.00 -3.04 0.00 0.00 32.46 29.36 1jg3 n ARG 35 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 1jg3 s SER 36 N -0.57 3.92 0.21 2.89 1.04 -1.26 -5.04 113.70 114.90 1jg3 s SER 36 Ca 0.00 -0.71 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 1jg3 s SER 36 Cb 0.00 -0.53 0.14 0.00 0.10 0.00 0.00 66.02 65.73 1jg3 s SER 36 CO 0.00 0.10 1.76 0.11 0.98 0.00 0.00 173.24 176.19 1jg3 h LYS 37 N 2.97 1.18 -0.37 4.02 1.57 -1.99 -2.49 116.57 121.46 1jg3 h LYS 37 Ca -0.46 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.10 1jg3 h LYS 37 Cb 1.21 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1jg3 h LYS 37 CO 0.52 0.98 0.21 0.93 -0.57 0.00 0.00 179.45 181.52 1jg3 h GLU 38 N 1.14 0.42 -0.25 3.15 3.07 -1.98 -0.68 114.58 119.45 1jg3 h GLU 38 Ca 0.25 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.94 1jg3 h GLU 38 Cb 0.27 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1jg3 h GLU 38 CO -0.01 0.28 -0.43 0.28 -1.40 0.00 0.00 179.01 177.72 1jg3 h VAL 39 N 0.43 1.30 -0.25 3.13 2.07 -1.96 -1.52 116.25 119.45 1jg3 h VAL 39 Ca 0.15 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1jg3 h VAL 39 Cb 0.01 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1jg3 h VAL 39 CO -0.07 0.51 0.06 -0.08 0.02 0.00 0.00 177.57 178.01 1jg3 h GLU 40 N 0.51 0.41 -0.71 1.57 4.81 -1.21 -1.69 114.58 118.26 1jg3 h GLU 40 Ca 0.04 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1jg3 h GLU 40 Cb 0.96 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1jg3 h GLU 40 CO 0.09 0.51 0.44 -0.09 -0.73 0.00 0.00 179.01 179.22 1jg3 h ARG 41 N 0.23 0.82 -0.31 1.92 2.43 -1.02 -1.10 114.38 117.36 1jg3 h ARG 41 Ca 0.08 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1jg3 h ARG 41 Cb 0.29 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1jg3 h ARG 41 CO 0.00 0.54 0.13 0.00 -1.51 0.00 0.00 179.97 179.13 1jg3 h ALA 42 N 1.32 0.40 -0.83 2.80 0.00 -1.12 -1.26 119.26 120.56 1jg3 h ALA 42 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jg3 h ALA 42 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1jg3 h ALA 42 CO -0.13 -0.02 0.51 0.74 0.00 0.00 0.00 179.25 180.36 1jg3 h PHE 43 N 0.35 1.08 0.00 0.00 -1.00 -0.91 -0.47 116.94 116.00 1jg3 h PHE 43 Ca 0.10 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.81 1jg3 h PHE 43 Cb 0.16 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.35 1jg3 h PHE 43 CO -0.01 0.71 -0.39 -0.07 -1.61 0.00 0.00 178.31 176.95 1jg3 h LEU 44 N 1.14 0.00 0.22 1.54 3.38 -1.05 -3.15 115.31 117.38 1jg3 h LEU 44 Ca 0.30 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.95 1jg3 h LEU 44 Cb -0.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.71 1jg3 h LEU 44 CO -0.06 0.39 -1.44 0.50 0.09 0.00 0.00 178.44 177.92 1jg3 h LYS 45 N 0.00 0.46 -3.05 1.13 3.64 -0.66 -3.41 116.57 114.68 1jg3 h LYS 45 Ca -0.00 -0.78 -0.62 0.00 -1.27 0.00 0.00 60.65 57.97 1jg3 h LYS 45 Cb 0.90 0.29 -0.41 0.00 -0.41 0.00 0.00 32.23 32.60 1jg3 h LYS 45 CO 0.05 1.37 -0.63 0.71 -2.27 0.00 0.00 179.45 178.68 1jg3 s TYR 46 N -2.61 3.17 0.62 1.91 2.02 -0.24 -5.10 117.35 117.12 1jg3 s TYR 46 Ca -0.08 -3.16 -0.18 0.00 -0.37 0.00 0.00 57.07 53.28 1jg3 s TYR 46 Cb 0.05 -2.49 -0.02 0.00 -0.40 0.00 0.00 41.96 39.10 1jg3 s TYR 46 CO 0.92 -0.62 1.23 -1.25 -1.57 0.00 0.00 175.55 174.26 1jg3 s PRO 47 N -1.03 2.79 0.52 -1.71 0.04 -1.21 -4.75 135.00 129.65 1jg3 s PRO 47 Ca 0.24 1.87 0.24 0.00 0.04 0.00 0.00 61.00 63.39 1jg3 s PRO 47 Cb -0.08 -1.90 1.43 0.00 0.04 0.00 0.00 34.50 33.99 1jg3 s PRO 47 CO -0.14 -1.36 2.11 -0.09 0.04 0.00 0.00 177.00 177.57 1jg3 h ARG 48 N 0.68 0.00 0.00 4.56 2.43 -1.87 -2.78 114.38 117.40 1jg3 h ARG 48 Ca -0.50 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1jg3 h ARG 48 Cb 1.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1jg3 h ARG 48 CO 0.54 0.09 -0.01 0.10 -1.51 0.00 0.00 179.97 179.18 1jg3 h TYR 49 N 0.00 0.00 0.00 2.20 -0.00 -1.89 -0.34 116.97 116.95 1jg3 h TYR 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1jg3 h TYR 49 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.94 1jg3 h TYR 49 CO 0.00 0.01 0.00 -0.07 -0.00 0.00 0.00 178.16 178.10 1jg3 h LEU 50 N 0.00 0.00 -2.18 0.10 3.38 -1.87 -3.18 115.31 111.57 1jg3 h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jg3 h LEU 50 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jg3 h LEU 50 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1jg3 n SER 51 N -2.68 2.62 -4.57 -0.43 7.64 -0.14 -4.88 113.62 111.18 1jg3 n SER 51 Ca 0.02 -1.78 -0.24 0.00 1.01 0.00 0.00 58.87 57.88 1jg3 n SER 51 Cb 0.30 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 1jg3 n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1jg3 s VAL 52 N -1.07 3.09 0.68 0.44 -7.23 -1.20 -4.81 120.40 110.30 1jg3 s VAL 52 Ca 0.22 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.24 1jg3 s VAL 52 Cb 0.13 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1jg3 s VAL 52 CO 0.18 -0.31 1.19 -1.61 -0.31 0.00 0.00 175.10 174.25 1jg3 s GLU 53 N -3.39 2.45 0.26 4.82 2.02 -1.26 -4.76 118.70 118.84 1jg3 s GLU 53 Ca 0.29 1.72 -0.02 0.00 0.02 0.00 0.00 54.97 56.98 1jg3 s GLU 53 Cb -0.07 -1.87 0.55 0.00 0.10 0.00 0.00 34.13 32.84 1jg3 s GLU 53 CO 0.17 -1.59 1.67 -0.44 0.02 0.00 0.00 175.26 175.09 1jg3 h ASP 54 N 0.05 -0.01 0.12 -0.19 3.32 -1.99 -0.06 116.42 117.67 1jg3 h ASP 54 Ca -0.48 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1jg3 h ASP 54 Cb 1.29 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.07 1jg3 h ASP 54 CO 0.52 -0.09 0.00 2.29 -1.72 0.00 0.00 179.24 180.24 1jg3 n LYS 55 N -5.19 0.01 0.00 3.56 2.85 -1.26 -1.85 118.16 116.28 1jg3 n LYS 55 Ca 0.17 0.41 0.03 0.00 -1.05 0.00 0.00 58.31 57.86 1jg3 n LYS 55 Cb 0.54 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.43 1jg3 n LYS 55 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jg3 n TYR 56 N -1.47 0.00 0.27 5.58 4.01 -0.05 -4.65 117.16 120.84 1jg3 n TYR 56 Ca 0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 1jg3 n TYR 56 Cb 0.04 0.00 0.72 0.00 -0.31 0.00 0.00 39.34 39.79 1jg3 n TYR 56 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jg3 h LYS 57 N 0.78 0.00 0.00 -0.72 1.57 -1.16 -1.33 116.57 115.72 1jg3 h LYS 57 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jg3 h LYS 57 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1jg3 h LYS 57 CO 0.00 0.02 0.00 0.36 -0.57 0.00 0.00 179.45 179.26 1jg3 n LYS 58 N -4.28 0.08 0.00 3.15 2.85 -1.26 -2.66 118.16 116.03 1jg3 n LYS 58 Ca -0.03 0.13 0.04 0.00 -1.05 0.00 0.00 58.31 57.41 1jg3 n LYS 58 Cb 0.11 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 1jg3 n LYS 58 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jg3 n TYR 59 N -1.45 0.00 -0.01 5.58 4.01 -0.52 -4.68 117.16 120.09 1jg3 n TYR 59 Ca 0.06 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 58.03 1jg3 n TYR 59 Cb 0.22 0.00 0.72 0.00 -0.31 0.00 0.00 39.34 39.98 1jg3 n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jg3 h ALA 60 N 1.58 2.41 0.00 -0.72 0.00 -1.27 -0.45 119.26 120.81 1jg3 h ALA 60 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jg3 h ALA 60 Cb 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jg3 h ALA 60 CO 0.00 -0.79 -0.30 1.12 0.00 0.00 0.00 179.25 179.28 1jg3 h HIS 61 N 0.00 0.00 -3.35 0.00 2.07 -1.83 -3.44 115.15 108.60 1jg3 h HIS 61 Ca 0.27 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.27 1jg3 h HIS 61 Cb 1.26 0.00 0.05 0.00 2.57 0.00 0.00 27.41 31.29 1jg3 h HIS 61 CO 0.00 0.04 0.74 0.42 -3.07 0.00 0.00 177.93 176.06 1jg3 s ILE 62 N -3.23 2.79 -1.55 6.12 1.01 -0.18 -4.76 121.20 121.41 1jg3 s ILE 62 Ca 0.05 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.24 1jg3 s ILE 62 Cb 0.06 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1jg3 s ILE 62 CO 0.71 0.10 2.71 -0.67 0.00 0.00 0.00 174.94 177.79 1jg3 n ASP 63 N 2.50 7.15 -3.67 3.58 2.03 -1.26 -4.71 116.55 122.17 1jg3 n ASP 63 Ca 0.07 -2.64 -0.10 0.00 0.52 0.00 0.00 54.79 52.63 1jg3 n ASP 63 Cb 0.41 -1.57 -0.04 0.00 -0.72 0.00 0.00 41.12 39.20 1jg3 n ASP 63 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1jg3 s GLU 64 N 2.54 1.24 0.63 -0.67 -1.05 -1.26 -4.80 118.70 115.34 1jg3 s GLU 64 Ca 0.62 -0.77 -0.16 0.00 -0.15 0.00 0.00 54.97 54.52 1jg3 s GLU 64 Cb 0.17 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.34 1jg3 s GLU 64 CO -0.07 -0.51 1.11 -1.25 0.95 0.00 0.00 175.26 175.49 1jg3 s PRO 65 N -3.83 2.97 0.19 -4.83 0.04 -1.26 -4.32 135.00 123.95 1jg3 s PRO 65 Ca 0.06 1.41 0.09 0.00 0.04 0.00 0.00 61.00 62.60 1jg3 s PRO 65 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1jg3 s PRO 65 CO -0.07 -1.12 -0.19 -0.51 0.04 0.00 0.00 177.00 175.15 1jg3 s LEU 66 N -4.62 2.47 0.59 -3.56 1.43 -0.75 -4.92 118.68 109.32 1jg3 s LEU 66 Ca 0.68 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1jg3 s LEU 66 Cb -0.21 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1jg3 s LEU 66 CO 0.38 -0.03 1.10 -2.84 0.23 0.00 0.00 176.35 175.19 1jg3 s PRO 67 N -3.00 3.18 0.17 1.29 0.02 -1.26 -0.46 135.00 134.94 1jg3 s PRO 67 Ca 0.19 1.41 -0.01 0.00 0.02 0.00 0.00 61.00 62.62 1jg3 s PRO 67 Cb -0.05 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1jg3 s PRO 67 CO 0.08 -0.95 0.08 0.96 -0.33 0.00 0.00 177.00 176.83 1jg3 s ILE 68 N -2.16 0.17 0.99 2.83 -4.36 -0.43 -4.70 121.20 113.54 1jg3 s ILE 68 Ca 0.68 -1.95 -0.15 0.00 -0.26 0.00 0.00 60.65 58.97 1jg3 s ILE 68 Cb -0.20 -2.24 0.03 0.00 1.25 0.00 0.00 42.46 41.30 1jg3 s ILE 68 CO 0.34 -0.28 0.19 -2.65 0.24 0.00 0.00 174.94 172.78 1jg3 n PRO 69 N -0.19 -0.55 -2.01 0.37 -0.02 -1.26 -3.45 135.00 127.89 1jg3 n PRO 69 Ca -0.03 -0.13 -0.17 0.00 -2.02 0.00 0.00 63.50 61.15 1jg3 n PRO 69 Cb 0.65 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1jg3 n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jg3 n ALA 70 N -3.69 -0.41 -1.07 3.55 0.00 -1.26 -3.10 120.51 114.53 1jg3 n ALA 70 Ca 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 1jg3 n ALA 70 Cb 0.56 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 1jg3 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg3 n GLY 71 N -0.95 0.56 2.44 0.00 0.00 -1.24 -5.03 105.19 100.97 1jg3 n GLY 71 Ca -0.19 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1jg3 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jg3 n GLN 72 N -2.26 0.82 -4.03 1.61 1.13 -1.18 -4.97 117.38 108.50 1jg3 n GLN 72 Ca -0.02 -2.03 -0.09 0.00 -1.94 0.00 0.00 57.00 52.92 1jg3 n GLN 72 Cb 0.16 -0.03 -0.09 0.00 0.11 0.00 0.00 30.24 30.39 1jg3 n GLN 72 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jg3 s THR 73 N -1.40 0.14 -0.16 5.09 -4.23 -1.26 -1.31 115.64 112.51 1jg3 s THR 73 Ca 0.33 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.14 1jg3 s THR 73 Cb -0.03 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1jg3 s THR 73 CO 0.21 -0.64 0.09 0.54 -0.54 0.00 0.00 174.62 174.28 1jg3 s VAL 74 N -3.95 5.06 0.87 2.29 0.11 0.40 -4.82 120.40 120.36 1jg3 s VAL 74 Ca 0.13 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 1jg3 s VAL 74 Cb 0.06 -3.25 0.12 0.00 -1.53 0.00 0.00 36.38 31.78 1jg3 s VAL 74 CO -0.05 0.52 1.15 -0.44 -3.33 0.00 0.00 175.10 172.95 1jg3 s SER 75 N -0.18 3.28 0.41 3.54 0.01 -1.26 -1.81 113.70 117.69 1jg3 s SER 75 Ca 0.09 2.17 -0.25 0.00 1.31 0.00 0.00 55.95 59.27 1jg3 s SER 75 Cb -0.12 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.46 1jg3 s SER 75 CO 0.01 -2.87 1.19 0.00 0.41 0.00 0.00 173.24 171.98 1jg3 s ALA 76 N -2.59 3.14 0.26 1.44 0.00 -1.26 -4.59 121.76 118.16 1jg3 s ALA 76 Ca 0.67 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.62 1jg3 s ALA 76 Cb -0.23 -3.40 0.58 0.00 0.00 0.00 0.00 23.12 20.07 1jg3 s ALA 76 CO 0.56 -0.60 1.68 -1.35 0.00 0.00 0.00 175.76 176.05 1jg3 h PRO 77 N 2.54 0.29 -0.52 0.00 0.11 -1.84 -0.67 132.00 131.91 1jg3 h PRO 77 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1jg3 h PRO 77 Cb 1.24 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1jg3 h PRO 77 CO 0.62 0.19 0.21 1.12 -0.21 0.00 0.00 178.00 179.93 1jg3 h HIS 78 N 0.29 0.74 -0.28 0.65 2.07 -1.91 -1.20 115.15 115.51 1jg3 h HIS 78 Ca 0.48 -0.03 -0.10 0.00 -2.85 0.00 0.00 60.37 57.87 1jg3 h HIS 78 Cb 0.87 -0.23 -0.01 0.00 2.57 0.00 0.00 27.41 30.62 1jg3 h HIS 78 CO -0.23 0.57 -0.21 1.98 -3.07 0.00 0.00 177.93 176.97 1jg3 h MET 79 N 0.74 0.64 -0.66 5.12 -1.53 -1.51 0.08 114.93 117.81 1jg3 h MET 79 Ca 0.18 -0.31 -0.02 0.00 -3.44 0.00 0.00 59.70 56.11 1jg3 h MET 79 Cb 0.14 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.16 1jg3 h MET 79 CO -0.02 0.90 0.32 0.28 0.14 0.00 0.00 176.91 178.54 1jg3 h VAL 80 N 0.38 1.22 -0.29 -5.77 2.07 -1.18 -1.53 116.25 111.14 1jg3 h VAL 80 Ca 0.05 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1jg3 h VAL 80 Cb 0.75 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1jg3 h VAL 80 CO 0.06 0.26 0.13 0.00 0.02 0.00 0.00 177.57 178.03 1jg3 h ALA 81 N 1.15 0.38 -0.32 1.67 0.00 -1.08 -0.96 119.26 120.10 1jg3 h ALA 81 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1jg3 h ALA 81 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1jg3 h ALA 81 CO -0.03 -0.04 0.03 0.82 0.00 0.00 0.00 179.25 180.03 1jg3 h ILE 82 N 0.33 0.80 -0.33 0.00 2.04 -0.70 -0.34 117.51 119.31 1jg3 h ILE 82 Ca 0.10 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 1jg3 h ILE 82 Cb 0.16 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1jg3 h ILE 82 CO -0.01 0.02 -0.24 0.24 0.00 0.00 0.00 178.15 178.16 1jg3 h MET 83 N 0.13 0.64 -0.40 2.37 2.86 -1.12 -1.93 114.93 117.47 1jg3 h MET 83 Ca 0.15 -0.25 -0.14 0.00 -2.06 0.00 0.00 59.70 57.39 1jg3 h MET 83 Cb 0.19 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1jg3 h MET 83 CO -0.23 0.83 -0.31 -0.07 1.06 0.00 0.00 176.91 178.19 1jg3 h LEU 84 N 0.56 0.97 -0.88 1.22 3.38 -0.85 -1.30 115.31 118.41 1jg3 h LEU 84 Ca 0.08 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1jg3 h LEU 84 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1jg3 h LEU 84 CO 0.05 1.20 0.21 -0.33 0.09 0.00 0.00 178.44 179.67 1jg3 h GLU 85 N 0.74 1.04 -0.41 1.13 4.39 -0.94 -2.12 114.58 118.42 1jg3 h GLU 85 Ca 0.08 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 1jg3 h GLU 85 Cb 0.89 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1jg3 h GLU 85 CO 0.08 0.88 -0.16 0.82 -1.16 0.00 0.00 179.01 179.47 1jg3 h ILE 86 N 1.00 1.26 0.00 3.13 2.04 -1.19 -2.85 117.51 120.90 1jg3 h ILE 86 Ca 0.22 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1jg3 h ILE 86 Cb 0.28 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1jg3 h ILE 86 CO -0.01 0.42 -0.09 0.00 0.00 0.00 0.00 178.15 178.47 1jg3 h ALA 87 N 1.13 1.86 -6.48 1.87 0.00 -0.59 -3.47 119.26 113.58 1jg3 h ALA 87 Ca 0.11 -0.08 -0.49 0.00 0.00 0.00 0.00 54.91 54.44 1jg3 h ALA 87 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jg3 h ALA 87 CO 0.05 0.11 -0.93 -1.71 0.00 0.00 0.00 179.25 176.76 1jg3 n ASN 88 N -4.43 -2.82 -4.77 0.00 5.15 -0.92 -4.87 115.26 102.59 1jg3 n ASN 88 Ca -0.03 -1.07 -0.41 0.00 -0.60 0.00 0.00 54.58 52.48 1jg3 n ASN 88 Cb 0.16 -2.90 -0.01 0.00 -0.53 0.00 0.00 39.78 36.50 1jg3 n ASN 88 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jg3 s LEU 89 N -6.87 4.36 0.11 1.20 1.43 -1.26 -5.05 118.68 112.60 1jg3 s LEU 89 Ca 0.27 2.81 0.08 0.00 -1.03 0.00 0.00 54.13 56.25 1jg3 s LEU 89 Cb -0.11 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1jg3 s LEU 89 CO 0.90 -0.69 -0.20 -0.54 0.23 0.00 0.00 176.35 176.04 1jg3 s LYS 90 N -1.96 1.11 0.28 1.70 -0.14 -1.26 -4.93 119.74 114.54 1jg3 s LYS 90 Ca 0.51 -1.18 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 1jg3 s LYS 90 Cb -0.42 -1.31 -0.14 0.00 -1.68 0.00 0.00 37.83 34.28 1jg3 s LYS 90 CO 0.56 0.30 1.21 -2.30 -0.76 0.00 0.00 175.35 174.36 1jg3 n PRO 91 N 0.97 1.72 0.00 -1.68 -0.02 -1.25 -2.16 135.00 132.57 1jg3 n PRO 91 Ca -0.19 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1jg3 n PRO 91 Cb 0.54 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1jg3 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jg3 n GLY 92 N 1.44 2.44 3.73 -1.23 0.00 0.13 -5.02 105.19 106.69 1jg3 n GLY 92 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1jg3 n GLY 92 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jg3 n MET 93 N -2.00 1.34 -3.40 1.61 2.81 -0.92 -4.96 117.12 111.60 1jg3 n MET 93 Ca 0.00 0.51 -0.43 0.00 -1.81 0.00 0.00 57.70 55.97 1jg3 n MET 93 Cb 0.00 -2.55 -0.09 0.00 -0.71 0.00 0.00 33.22 29.87 1jg3 n MET 93 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1jg3 s ASN 94 N -1.20 6.14 -0.03 7.83 2.47 -1.26 -4.88 114.94 124.01 1jg3 s ASN 94 Ca 0.79 -0.95 0.02 0.00 0.42 0.00 0.00 52.86 53.14 1jg3 s ASN 94 Cb -0.39 -2.18 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 1jg3 s ASN 94 CO 0.44 -0.54 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.57 1jg3 s ILE 95 N 1.81 3.61 -0.13 -5.21 -1.09 -1.26 -0.95 121.20 117.97 1jg3 s ILE 95 Ca 0.07 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1jg3 s ILE 95 Cb -0.20 -2.51 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1jg3 s ILE 95 CO 0.10 0.50 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.91 1jg3 s LEU 96 N -1.10 1.89 -0.11 2.97 2.96 -0.89 -2.08 118.68 122.33 1jg3 s LEU 96 Ca 0.15 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1jg3 s LEU 96 Cb -0.11 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1jg3 s LEU 96 CO 0.04 0.03 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.40 1jg3 s GLU 97 N 1.00 3.28 -0.28 1.98 2.12 0.38 -1.28 118.70 125.90 1jg3 s GLU 97 Ca -0.05 -0.43 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 1jg3 s GLU 97 Cb -0.15 -2.87 0.01 0.00 0.26 0.00 0.00 34.13 31.38 1jg3 s GLU 97 CO -0.04 0.53 0.05 0.08 -0.54 0.00 0.00 175.26 175.35 1jg3 s VAL 98 N -0.41 3.80 0.00 3.70 1.01 0.13 -1.18 120.40 127.46 1jg3 s VAL 98 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1jg3 s VAL 98 Cb -0.12 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1jg3 s VAL 98 CO 0.02 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1jg3 n GLY 99 N 4.84 0.79 0.11 4.51 0.00 0.89 -1.30 105.19 115.03 1jg3 n GLY 99 Ca -0.15 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1jg3 n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jg3 h THR 100 N 0.00 0.92 0.00 2.61 2.02 -1.71 -3.44 112.91 113.32 1jg3 h THR 100 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1jg3 h THR 100 Cb 0.00 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1jg3 h THR 100 CO 0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1jg3 n GLY 101 N -1.18 3.00 0.16 2.16 0.00 -1.26 -1.85 105.19 106.23 1jg3 n GLY 101 Ca -0.02 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1jg3 n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jg3 h SER 102 N 0.00 0.00 0.00 1.61 4.64 -1.87 -3.36 113.55 114.56 1jg3 h SER 102 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1jg3 h SER 102 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jg3 h SER 102 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1jg3 n GLY 103 N 1.17 0.73 0.35 -0.77 0.00 -0.77 -4.32 105.19 101.57 1jg3 n GLY 103 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1jg3 n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1jg3 h TRP 104 N 0.00 -0.79 -0.90 1.61 7.01 -1.91 -1.70 115.95 119.27 1jg3 h TRP 104 Ca 0.00 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.02 1jg3 h TRP 104 Cb 0.00 0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.27 1jg3 h TRP 104 CO 0.00 -0.48 0.59 -0.97 -2.79 0.00 0.00 178.44 174.79 1jg3 h ASN 105 N -0.82 0.96 -0.59 2.65 -1.24 -1.93 -1.27 115.58 113.34 1jg3 h ASN 105 Ca -0.08 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.85 1jg3 h ASN 105 Cb 0.64 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.45 1jg3 h ASN 105 CO 0.12 0.65 0.11 0.00 -1.29 0.00 0.00 177.43 177.02 1jg3 h ALA 106 N 1.48 1.02 -0.46 1.57 0.00 -1.86 -0.19 119.26 120.82 1jg3 h ALA 106 Ca 0.36 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jg3 h ALA 106 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jg3 h ALA 106 CO -0.11 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.84 1jg3 h ALA 107 N 1.17 0.60 -0.42 0.00 0.00 -0.44 -1.31 119.26 118.85 1jg3 h ALA 107 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jg3 h ALA 107 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1jg3 h ALA 107 CO 0.01 0.32 0.25 -0.07 0.00 0.00 0.00 179.25 179.76 1jg3 h LEU 108 N 0.62 0.51 -0.14 0.00 3.38 -0.89 -2.21 115.31 116.57 1jg3 h LEU 108 Ca 0.14 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1jg3 h LEU 108 Cb 0.37 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1jg3 h LEU 108 CO 0.01 0.42 -0.03 0.40 0.09 0.00 0.00 178.44 179.33 1jg3 h ILE 109 N 0.55 0.87 -0.79 1.22 2.04 -0.85 -2.57 117.51 117.98 1jg3 h ILE 109 Ca 0.15 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.08 1jg3 h ILE 109 Cb 0.01 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1jg3 h ILE 109 CO -0.03 0.00 0.52 0.77 0.00 0.00 0.00 178.15 179.41 1jg3 h SER 110 N 0.01 0.73 0.28 1.72 4.64 -0.94 -0.10 113.55 119.90 1jg3 h SER 110 Ca 0.07 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1jg3 h SER 110 Cb 0.10 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1jg3 h SER 110 CO -0.14 0.46 -0.12 -0.08 -0.87 0.00 0.00 176.83 176.09 1jg3 h GLU 111 N 0.83 0.00 0.07 4.77 4.57 -0.99 -0.11 114.58 123.72 1jg3 h GLU 111 Ca 0.35 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 58.16 1jg3 h GLU 111 Cb 0.29 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 1jg3 h GLU 111 CO -0.13 0.12 -2.08 -0.89 -1.18 0.00 0.00 179.01 174.86 1jg3 n ILE 112 N -3.80 1.67 0.15 2.32 5.41 -0.19 -4.44 119.36 120.48 1jg3 n ILE 112 Ca -0.02 -0.55 0.08 0.00 1.00 0.00 0.00 62.75 63.25 1jg3 n ILE 112 Cb 0.22 -1.69 0.07 0.00 -0.71 0.00 0.00 39.64 37.52 1jg3 n ILE 112 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1jg3 h VAL 113 N -0.11 0.32 -5.23 1.39 -1.51 -1.15 -3.33 116.25 106.64 1jg3 h VAL 113 Ca -0.47 -1.49 -0.41 0.00 -1.23 0.00 0.00 66.70 63.10 1jg3 h VAL 113 Cb 1.90 2.05 0.08 0.00 -2.13 0.00 0.00 31.29 33.19 1jg3 h VAL 113 CO -0.02 0.18 -0.65 0.29 -1.23 0.00 0.00 177.57 176.15 1jg3 n LYS 114 N -3.04 -6.16 -2.44 5.19 4.76 -0.06 0.17 118.16 116.58 1jg3 n LYS 114 Ca 0.01 0.83 -0.05 0.00 -2.87 0.00 0.00 58.31 56.24 1jg3 n LYS 114 Cb 0.63 -5.78 0.01 0.00 -1.84 0.00 0.00 35.03 28.06 1jg3 n LYS 114 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1jg3 n THR 115 N -4.71 0.00 -1.70 -0.18 5.66 -1.26 -4.73 114.28 107.36 1jg3 n THR 115 Ca -0.05 -0.53 -0.44 0.00 -3.05 0.00 0.00 64.05 59.99 1jg3 n THR 115 Cb 0.58 0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 69.85 1jg3 n THR 115 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jg3 n ASP 116 N -1.31 3.24 -4.18 1.09 8.00 -1.26 -4.80 116.55 117.33 1jg3 n ASP 116 Ca -0.04 1.14 -0.27 0.00 0.71 0.00 0.00 54.79 56.32 1jg3 n ASP 116 Cb 0.30 -1.50 -0.16 0.00 -0.02 0.00 0.00 41.12 39.75 1jg3 n ASP 116 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jg3 s VAL 117 N 0.09 1.59 -0.13 2.53 1.01 0.81 -4.51 120.40 121.79 1jg3 s VAL 117 Ca 0.68 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1jg3 s VAL 117 Cb -0.59 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1jg3 s VAL 117 CO 0.48 0.45 -0.11 -0.31 0.00 0.00 0.00 175.10 175.61 1jg3 s TYR 118 N -0.12 2.85 -0.02 5.22 2.02 -0.88 -0.73 117.35 125.68 1jg3 s TYR 118 Ca -0.01 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1jg3 s TYR 118 Cb -0.11 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 1jg3 s TYR 118 CO 0.02 -0.15 -0.01 -0.08 -1.57 0.00 0.00 175.55 173.75 1jg3 s THR 119 N 0.29 0.20 -0.05 -0.71 -1.32 -0.55 -0.47 115.64 113.03 1jg3 s THR 119 Ca -0.09 -0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.44 1jg3 s THR 119 Cb -0.15 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.57 1jg3 s THR 119 CO 0.05 0.11 -0.18 -0.51 -2.21 0.00 0.00 174.62 171.89 1jg3 s ILE 120 N 0.57 2.77 -0.02 5.08 2.07 -0.32 0.14 121.20 131.50 1jg3 s ILE 120 Ca -0.06 -0.83 0.02 0.00 -1.41 0.00 0.00 60.65 58.37 1jg3 s ILE 120 Cb -0.09 -2.06 0.00 0.00 0.13 0.00 0.00 42.46 40.45 1jg3 s ILE 120 CO -0.01 0.58 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.83 1jg3 s GLU 121 N -0.63 0.75 0.24 3.50 2.56 0.11 -0.07 118.70 125.16 1jg3 s GLU 121 Ca 0.09 -0.23 0.23 0.00 0.00 0.00 0.00 54.97 55.06 1jg3 s GLU 121 Cb -0.11 -0.73 0.24 0.00 2.00 0.00 0.00 34.13 35.53 1jg3 s GLU 121 CO 0.00 0.09 1.31 0.07 -0.56 0.00 0.00 175.26 176.17 1jg3 h ARG 122 N 6.38 0.00 -4.75 4.30 0.11 -1.79 -1.12 114.38 117.52 1jg3 h ARG 122 Ca -0.33 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.08 1jg3 h ARG 122 Cb 1.17 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.07 1jg3 h ARG 122 CO 0.49 0.00 -0.45 0.42 0.10 0.00 0.00 179.97 180.53 1jg3 s ILE 123 N -3.25 5.27 0.24 0.08 1.01 -1.26 -4.72 121.20 118.56 1jg3 s ILE 123 Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 1jg3 s ILE 123 Cb 0.10 -3.73 0.23 0.00 0.01 0.00 0.00 42.46 39.07 1jg3 s ILE 123 CO 0.73 -0.02 1.67 -0.65 0.00 0.00 0.00 174.94 176.66 1jg3 h PRO 124 N 8.49 0.18 -0.99 2.79 0.11 -2.00 -0.35 132.00 140.23 1jg3 h PRO 124 Ca -0.31 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.85 1jg3 h PRO 124 Cb 1.16 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1jg3 h PRO 124 CO 0.64 0.12 0.64 1.49 -0.21 0.00 0.00 178.00 180.68 1jg3 h GLU 125 N 0.18 1.13 0.00 1.05 4.81 -2.00 -1.80 114.58 117.95 1jg3 h GLU 125 Ca 0.39 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 1jg3 h GLU 125 Cb 0.66 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1jg3 h GLU 125 CO -0.55 0.75 -0.68 -0.07 -0.73 0.00 0.00 179.01 177.73 1jg3 h LEU 126 N 1.17 0.00 -0.43 1.64 3.38 -1.46 -1.14 115.31 118.47 1jg3 h LEU 126 Ca 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1jg3 h LEU 126 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1jg3 h LEU 126 CO -0.16 0.68 0.20 0.58 0.09 0.00 0.00 178.44 179.83 1jg3 h VAL 127 N 0.00 1.18 -0.37 1.22 2.07 -0.40 0.82 116.25 120.78 1jg3 h VAL 127 Ca -0.01 -0.54 -0.15 0.00 0.82 0.00 0.00 66.70 66.83 1jg3 h VAL 127 Cb 1.28 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1jg3 h VAL 127 CO 0.09 0.20 -0.36 -0.33 0.02 0.00 0.00 177.57 177.19 1jg3 h GLU 128 N 0.55 0.86 -0.14 1.57 4.39 -1.35 -1.69 114.58 118.77 1jg3 h GLU 128 Ca 0.15 -0.43 0.02 0.00 0.34 0.00 0.00 59.36 59.44 1jg3 h GLU 128 Cb 0.14 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1jg3 h GLU 128 CO -0.02 1.08 -0.01 0.35 -1.16 0.00 0.00 179.01 179.25 1jg3 h PHE 129 N 0.71 -0.03 -0.09 4.33 3.57 -0.88 -0.81 116.94 123.74 1jg3 h PHE 129 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1jg3 h PHE 129 Cb 0.93 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1jg3 h PHE 129 CO 0.05 -0.03 0.04 0.00 -2.23 0.00 0.00 178.31 176.14 1jg3 h ALA 130 N 1.12 0.11 -0.86 2.41 0.00 -0.77 -1.86 119.26 119.41 1jg3 h ALA 130 Ca 0.06 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1jg3 h ALA 130 Cb 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jg3 h ALA 130 CO -0.12 -0.32 0.51 0.87 0.00 0.00 0.00 179.25 180.20 1jg3 h LYS 131 N 0.01 0.86 -0.27 0.00 1.57 -1.11 0.10 116.57 117.73 1jg3 h LYS 131 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jg3 h LYS 131 Cb 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1jg3 h LYS 131 CO -0.00 0.57 0.12 0.00 -0.57 0.00 0.00 179.45 179.57 1jg3 h ARG 132 N 0.88 0.39 -0.57 3.15 2.47 -0.92 -0.33 114.38 119.46 1jg3 h ARG 132 Ca 0.40 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 59.06 1jg3 h ARG 132 Cb 0.31 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 1jg3 h ARG 132 CO -0.22 0.40 0.38 -0.91 0.56 0.00 0.00 179.97 180.18 1jg3 h ASN 133 N 0.30 0.66 -0.17 7.04 2.35 -0.62 -0.59 115.58 124.54 1jg3 h ASN 133 Ca 0.09 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1jg3 h ASN 133 Cb 0.14 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1jg3 h ASN 133 CO -0.01 0.48 0.06 -0.07 -1.65 0.00 0.00 177.43 176.23 1jg3 h LEU 134 N 0.77 0.23 -0.27 1.61 3.38 -0.80 -1.58 115.31 118.66 1jg3 h LEU 134 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jg3 h LEU 134 Cb -0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jg3 h LEU 134 CO -0.04 0.35 0.14 -0.08 0.09 0.00 0.00 178.44 178.90 1jg3 h GLU 135 N 0.10 0.38 -0.69 1.13 4.81 -0.92 0.39 114.58 119.78 1jg3 h GLU 135 Ca 0.05 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1jg3 h GLU 135 Cb 0.20 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1jg3 h GLU 135 CO -0.00 0.34 0.45 -0.09 -0.73 0.00 0.00 179.01 178.98 1jg3 h ARG 136 N 0.31 0.77 -0.01 1.92 2.43 -1.04 -0.10 114.38 118.66 1jg3 h ARG 136 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1jg3 h ARG 136 Cb 0.08 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1jg3 h ARG 136 CO -0.01 0.51 -0.03 0.00 -1.51 0.00 0.00 179.97 178.92 1jg3 n ALA 137 N -2.45 2.67 -1.00 2.80 0.00 -0.60 -4.92 120.51 117.01 1jg3 n ALA 137 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.22 1jg3 n ALA 137 Cb 0.16 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 1jg3 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg3 n GLY 138 N 1.14 0.47 3.73 0.00 0.00 -0.05 -5.02 105.19 105.45 1jg3 n GLY 138 Ca 0.20 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1jg3 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jg3 s VAL 139 N -1.99 3.74 -0.08 1.61 1.01 0.04 -4.94 120.40 119.78 1jg3 s VAL 139 Ca 0.00 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1jg3 s VAL 139 Cb 0.00 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 1jg3 s VAL 139 CO 0.00 0.16 -0.02 0.29 0.00 0.00 0.00 175.10 175.53 1jg3 n LYS 140 N 3.18 1.74 -0.00 2.72 4.76 -1.26 -4.47 118.16 124.82 1jg3 n LYS 140 Ca 0.07 0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.62 1jg3 n LYS 140 Cb 0.45 -1.18 0.55 0.00 -1.84 0.00 0.00 35.03 33.01 1jg3 n LYS 140 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jg3 n ASN 141 N -2.48 0.04 -4.67 4.39 5.03 -1.26 -4.85 115.26 111.48 1jg3 n ASN 141 Ca -0.13 -1.42 -0.37 0.00 0.87 0.00 0.00 54.58 53.53 1jg3 n ASN 141 Cb 0.71 -0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.37 1jg3 n ASN 141 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jg3 s VAL 142 N -1.99 5.34 -0.28 2.41 1.01 -1.26 -0.13 120.40 125.49 1jg3 s VAL 142 Ca 0.28 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 1jg3 s VAL 142 Cb 0.13 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1jg3 s VAL 142 CO 0.22 0.34 0.05 -1.00 0.00 0.00 0.00 175.10 174.70 1jg3 s HIS 143 N 1.05 3.13 -0.22 5.22 3.76 0.09 -4.97 115.29 123.35 1jg3 s HIS 143 Ca 0.09 -1.10 -0.20 0.00 -0.15 0.00 0.00 55.06 53.71 1jg3 s HIS 143 Cb -0.14 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.32 1jg3 s HIS 143 CO 0.05 -0.61 0.58 0.08 -0.85 0.00 0.00 174.74 173.99 1jg3 s VAL 144 N 1.46 5.05 -0.07 -0.90 1.01 -1.26 -1.49 120.40 124.21 1jg3 s VAL 144 Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1jg3 s VAL 144 Cb -0.17 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1jg3 s VAL 144 CO 0.01 0.11 -0.04 -0.63 0.00 0.00 0.00 175.10 174.55 1jg3 s ILE 145 N 1.99 3.91 -0.31 2.22 1.01 0.12 -4.99 121.20 125.15 1jg3 s ILE 145 Ca 0.26 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 1jg3 s ILE 145 Cb -0.16 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1jg3 s ILE 145 CO 0.10 0.58 0.37 -0.22 0.00 0.00 0.00 174.94 175.77 1jg3 s LEU 146 N -0.90 4.23 0.00 2.97 2.96 -1.26 0.07 118.68 126.75 1jg3 s LEU 146 Ca 0.13 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1jg3 s LEU 146 Cb -0.11 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1jg3 s LEU 146 CO 0.02 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1jg3 n GLY 147 N 4.83 -1.93 3.43 7.98 0.00 -0.42 -4.94 105.19 114.13 1jg3 n GLY 147 Ca -0.09 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 1jg3 n GLY 147 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg3 s ASP 148 N -1.16 6.18 0.16 1.61 -1.08 -1.26 -2.80 116.67 118.31 1jg3 s ASP 148 Ca 0.00 -1.12 0.17 0.00 -0.52 0.00 0.00 52.55 51.08 1jg3 s ASP 148 Cb 0.00 -2.37 0.77 0.00 -1.46 0.00 0.00 42.92 39.85 1jg3 s ASP 148 CO 0.00 -1.31 1.53 0.61 0.52 0.00 0.00 175.17 176.52 1jg3 n GLY 149 N 5.30 -1.01 0.08 2.66 0.00 -1.26 -2.11 105.19 108.84 1jg3 n GLY 149 Ca -0.06 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1jg3 n GLY 149 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jg3 n SER 150 N -1.92 0.35 -1.07 1.61 3.41 -1.26 -0.13 113.62 114.61 1jg3 n SER 150 Ca 0.02 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 1jg3 n SER 150 Cb 0.14 -0.67 0.18 0.00 -0.26 0.00 0.00 64.21 63.60 1jg3 n SER 150 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jg3 n LYS 151 N -1.91 2.39 0.00 4.33 5.02 -0.90 -4.56 118.16 122.54 1jg3 n LYS 151 Ca 0.02 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1jg3 n LYS 151 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1jg3 n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jg3 n GLY 152 N 1.40 0.84 2.80 0.72 0.00 0.81 -4.60 105.19 107.16 1jg3 n GLY 152 Ca 0.17 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 1jg3 n GLY 152 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jg3 s PHE 153 N 0.00 -1.42 0.31 1.61 5.36 -1.26 -4.55 117.98 118.03 1jg3 s PHE 153 Ca 0.00 -0.57 0.06 0.00 -0.96 0.00 0.00 56.93 55.46 1jg3 s PHE 153 Cb 0.00 0.22 0.83 0.00 -0.34 0.00 0.00 43.02 43.73 1jg3 s PHE 153 CO 0.00 -1.23 1.65 -1.35 -1.46 0.00 0.00 175.22 172.84 1jg3 h PRO 154 N 5.40 0.25 -1.11 10.12 0.11 -1.97 -2.85 132.00 141.94 1jg3 h PRO 154 Ca 0.07 -0.01 0.33 0.00 0.11 0.00 0.00 66.00 66.49 1jg3 h PRO 154 Cb 1.11 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 1jg3 h PRO 154 CO 0.05 0.16 0.70 -1.35 -0.21 0.00 0.00 178.00 177.36 1jg3 h PRO 155 N 0.25 0.29 -0.13 1.05 0.11 -2.00 -2.17 132.00 129.40 1jg3 h PRO 155 Ca 0.61 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1jg3 h PRO 155 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jg3 h PRO 155 CO -0.64 0.19 0.00 1.63 -0.21 0.00 0.00 178.00 178.97 1jg3 n LYS 156 N -4.74 2.71 -1.76 1.05 4.76 -1.08 -5.03 118.16 114.07 1jg3 n LYS 156 Ca 0.30 -1.95 -0.32 0.00 -2.87 0.00 0.00 58.31 53.47 1jg3 n LYS 156 Cb 1.06 -1.24 0.03 0.00 -1.84 0.00 0.00 35.03 33.05 1jg3 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jg3 s ALA 157 N -1.45 2.71 0.64 7.82 0.00 -0.82 -4.60 121.76 126.06 1jg3 s ALA 157 Ca 0.16 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.23 1jg3 s ALA 157 Cb 0.11 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 1jg3 s ALA 157 CO 0.06 -1.05 1.01 -1.25 0.00 0.00 0.00 175.76 174.53 1jg3 s PRO 158 N -4.65 3.13 0.14 0.00 0.04 -1.26 -5.05 135.00 127.34 1jg3 s PRO 158 Ca 0.60 0.41 0.09 0.00 0.04 0.00 0.00 61.00 62.14 1jg3 s PRO 158 Cb -0.15 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1jg3 s PRO 158 CO 0.48 -0.76 -0.15 0.71 0.04 0.00 0.00 177.00 177.31 1jg3 s TYR 159 N -3.18 2.56 0.11 0.56 1.51 0.58 -4.78 117.35 114.72 1jg3 s TYR 159 Ca 0.55 -0.25 -0.10 0.00 -1.01 0.00 0.00 57.07 56.27 1jg3 s TYR 159 Cb -0.11 -1.32 -0.13 0.00 -0.11 0.00 0.00 41.96 40.29 1jg3 s TYR 159 CO 0.50 0.43 1.29 -0.44 -1.11 0.00 0.00 175.55 176.23 1jg3 h ASP 160 N 3.46 0.80 -3.81 2.29 5.19 -1.38 -0.19 116.42 122.78 1jg3 h ASP 160 Ca -0.49 -0.57 -0.17 0.00 -0.62 0.00 0.00 57.03 55.19 1jg3 h ASP 160 Cb 1.18 -0.24 -0.26 0.00 0.18 0.00 0.00 39.33 40.20 1jg3 h ASP 160 CO 0.49 1.36 -0.43 -0.69 -3.12 0.00 0.00 179.24 176.85 1jg3 s VAL 161 N -3.52 -0.00 -0.16 -1.35 1.01 -1.24 -1.40 120.40 113.73 1jg3 s VAL 161 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1jg3 s VAL 161 Cb 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1jg3 s VAL 161 CO 0.89 0.00 -0.16 -0.63 0.00 0.00 0.00 175.10 175.20 1jg3 s ILE 162 N 0.16 1.75 -0.26 2.22 1.01 -0.37 -2.08 121.20 123.62 1jg3 s ILE 162 Ca -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1jg3 s ILE 162 Cb -0.02 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1jg3 s ILE 162 CO 0.00 0.49 0.01 -0.63 0.00 0.00 0.00 174.94 174.81 1jg3 s ILE 163 N 1.38 3.49 -0.21 2.92 1.01 -0.40 -0.79 121.20 128.61 1jg3 s ILE 163 Ca 0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 1jg3 s ILE 163 Cb -0.13 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1jg3 s ILE 163 CO -0.11 0.21 0.12 -0.69 0.00 0.00 0.00 174.94 174.47 1jg3 s VAL 164 N 1.44 5.15 -0.34 2.92 1.01 0.26 -0.69 120.40 130.15 1jg3 s VAL 164 Ca 0.03 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1jg3 s VAL 164 Cb -0.16 -3.36 0.56 0.00 0.00 0.00 0.00 36.38 33.41 1jg3 s VAL 164 CO -0.01 0.41 1.60 0.35 0.00 0.00 0.00 175.10 177.44 1jg3 n THR 165 N 3.87 2.74 -3.78 3.92 -2.24 -0.42 -4.38 114.28 113.99 1jg3 n THR 165 Ca -0.16 -2.52 -0.13 0.00 -2.27 0.00 0.00 64.05 58.97 1jg3 n THR 165 Cb 0.52 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.30 1jg3 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jg3 s ALA 166 N -3.26 -0.70 0.04 6.98 0.00 -1.26 -4.77 121.76 118.78 1jg3 s ALA 166 Ca 0.48 0.25 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 1jg3 s ALA 166 Cb 0.43 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1jg3 s ALA 166 CO 0.03 -0.25 0.84 0.20 0.00 0.00 0.00 175.76 176.58 1jg3 s GLY 167 N -1.33 2.85 0.19 0.00 0.00 0.01 -4.36 107.32 104.67 1jg3 s GLY 167 Ca -0.14 0.38 0.07 0.00 0.00 0.00 0.00 44.72 45.04 1jg3 s GLY 167 CO 0.04 1.28 0.02 0.00 0.00 0.00 0.00 173.10 174.44 1jg3 s ALA 168 N 0.20 3.25 -0.77 3.20 0.00 0.13 0.32 121.76 128.09 1jg3 s ALA 168 Ca 0.43 -1.39 0.26 0.00 0.00 0.00 0.00 51.96 51.26 1jg3 s ALA 168 Cb -0.21 -1.02 0.88 0.00 0.00 0.00 0.00 23.12 22.77 1jg3 s ALA 168 CO 0.25 0.45 1.80 -0.35 0.00 0.00 0.00 175.76 177.91 1jg3 n PRO 169 N -0.28 0.22 -3.75 0.00 -0.04 -1.25 -0.65 135.00 129.25 1jg3 n PRO 169 Ca -0.09 0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1jg3 n PRO 169 Cb 0.56 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 1jg3 n PRO 169 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1jg3 s LYS 170 N -3.09 1.44 -0.14 0.54 -2.85 -1.26 -4.51 119.74 109.87 1jg3 s LYS 170 Ca 0.11 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 54.03 1jg3 s LYS 170 Cb 0.13 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.40 1jg3 s LYS 170 CO 0.58 -0.66 1.26 0.42 0.10 0.00 0.00 175.35 177.05 1jg3 s ILE 171 N -3.60 4.26 -0.10 3.79 1.01 -1.26 -4.96 121.20 120.34 1jg3 s ILE 171 Ca 0.10 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 1jg3 s ILE 171 Cb -0.03 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 1jg3 s ILE 171 CO 0.02 -0.11 1.66 -2.84 0.00 0.00 0.00 174.94 173.67 1jg3 s PRO 172 N 3.28 4.05 0.27 2.79 0.02 -1.26 -4.90 135.00 139.24 1jg3 s PRO 172 Ca 0.55 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.62 1jg3 s PRO 172 Cb -0.22 -4.01 0.51 0.00 0.02 0.00 0.00 34.50 30.79 1jg3 s PRO 172 CO 0.16 -1.00 1.82 1.49 -0.33 0.00 0.00 177.00 179.14 1jg3 h GLU 173 N 10.02 0.85 -0.17 5.54 4.81 -1.92 -1.10 114.58 132.61 1jg3 h GLU 173 Ca -0.38 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1jg3 h GLU 173 Cb 1.17 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1jg3 h GLU 173 CO 0.97 0.56 0.12 -1.35 -0.73 0.00 0.00 179.01 178.58 1jg3 h PRO 174 N 0.88 0.04 -0.12 0.92 0.11 -1.91 -1.34 132.00 130.58 1jg3 h PRO 174 Ca 0.47 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.41 1jg3 h PRO 174 Cb 0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1jg3 h PRO 174 CO -0.28 0.03 -0.62 -0.07 -0.21 0.00 0.00 178.00 176.85 1jg3 h LEU 175 N 0.04 0.50 -0.29 2.35 3.38 -1.45 -2.18 115.31 117.66 1jg3 h LEU 175 Ca 0.08 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1jg3 h LEU 175 Cb 0.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jg3 h LEU 175 CO -0.00 0.99 -0.29 0.40 0.09 0.00 0.00 178.44 179.63 1jg3 h ILE 176 N 0.32 1.30 -0.30 1.22 2.04 -1.21 -3.07 117.51 117.81 1jg3 h ILE 176 Ca -0.01 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 1jg3 h ILE 176 Cb 1.16 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 1jg3 h ILE 176 CO 0.11 0.47 0.13 -0.33 0.00 0.00 0.00 178.15 178.52 1jg3 h GLU 177 N 0.46 0.41 -0.16 2.37 5.08 -1.21 -2.47 114.58 119.05 1jg3 h GLU 177 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jg3 h GLU 177 Cb 0.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1jg3 h GLU 177 CO 0.07 0.34 0.00 1.04 -1.00 0.00 0.00 179.01 179.46 1jg3 n GLN 178 N -4.42 1.52 -3.25 2.33 6.02 -0.83 -4.86 117.38 113.89 1jg3 n GLN 178 Ca 0.01 -0.80 -0.37 0.00 -0.01 0.00 0.00 57.00 55.83 1jg3 n GLN 178 Cb 0.12 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 1jg3 n GLN 178 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jg3 s LEU 179 N -1.35 4.43 0.63 1.08 1.43 -0.93 -0.31 118.68 123.65 1jg3 s LEU 179 Ca 0.25 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.46 1jg3 s LEU 179 Cb 0.13 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1jg3 s LEU 179 CO 0.20 0.16 1.07 -0.54 0.23 0.00 0.00 176.35 177.47 1jg3 s LYS 180 N -1.58 3.10 0.17 1.70 1.02 -0.08 -4.73 119.74 119.35 1jg3 s LYS 180 Ca 0.35 1.24 -0.31 0.00 0.02 0.00 0.00 55.97 57.27 1jg3 s LYS 180 Cb -0.18 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.04 1jg3 s LYS 180 CO 0.20 -0.99 1.52 0.42 -0.92 0.00 0.00 175.35 175.58 1jg3 s ILE 181 N -2.48 2.73 0.00 2.17 1.01 -1.26 -0.22 121.20 123.15 1jg3 s ILE 181 Ca 0.64 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1jg3 s ILE 181 Cb -0.17 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1jg3 s ILE 181 CO 0.40 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1jg3 n GLY 182 N 3.51 0.84 3.92 6.18 0.00 0.95 -5.02 105.19 115.57 1jg3 n GLY 182 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1jg3 n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg3 s GLY 183 N -1.89 1.72 0.01 -0.02 0.00 0.69 -4.76 107.32 103.07 1jg3 s GLY 183 Ca 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.66 1jg3 s GLY 183 CO 0.00 -0.38 -0.01 -1.59 0.00 0.00 0.00 173.10 171.12 1jg3 s LYS 184 N -5.76 0.16 -0.18 2.90 -2.85 -0.50 -1.41 119.74 112.10 1jg3 s LYS 184 Ca 0.70 -0.28 -0.03 0.00 -1.00 0.00 0.00 55.97 55.36 1jg3 s LYS 184 Cb -0.06 0.06 -0.02 0.00 -2.06 0.00 0.00 37.83 35.75 1jg3 s LYS 184 CO 0.51 -0.03 -0.05 -1.17 0.10 0.00 0.00 175.35 174.71 1jg3 s LEU 185 N -0.69 3.01 -0.24 2.77 2.96 0.11 -1.24 118.68 125.36 1jg3 s LEU 185 Ca -0.08 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1jg3 s LEU 185 Cb -0.05 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1jg3 s LEU 185 CO -0.00 0.09 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.44 1jg3 s ILE 186 N 0.83 3.10 -0.18 6.68 1.01 0.03 0.42 121.20 133.10 1jg3 s ILE 186 Ca -0.02 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1jg3 s ILE 186 Cb -0.15 -2.52 0.05 0.00 0.01 0.00 0.00 42.46 39.85 1jg3 s ILE 186 CO 0.01 0.26 0.52 -0.51 0.00 0.00 0.00 174.94 175.22 1jg3 s ILE 187 N 1.39 0.00 -0.23 2.92 2.07 -0.17 -0.58 121.20 126.61 1jg3 s ILE 187 Ca 0.02 -0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 1jg3 s ILE 187 Cb -0.16 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1jg3 s ILE 187 CO -0.04 -0.01 0.95 -2.84 -1.91 0.00 0.00 174.94 171.09 1jg3 s PRO 188 N 0.14 4.24 -0.04 3.50 0.02 -1.26 -0.88 135.00 140.72 1jg3 s PRO 188 Ca -0.01 1.19 0.04 0.00 0.02 0.00 0.00 61.00 62.24 1jg3 s PRO 188 Cb -0.04 -3.64 -0.00 0.00 0.02 0.00 0.00 34.50 30.84 1jg3 s PRO 188 CO 0.01 -0.57 -0.16 0.08 -0.33 0.00 0.00 177.00 176.04 1jg3 s VAL 189 N 2.99 1.32 -0.07 3.83 1.01 -0.16 -0.70 120.40 128.61 1jg3 s VAL 189 Ca 0.40 -0.66 -0.32 0.00 0.00 0.00 0.00 61.98 61.41 1jg3 s VAL 189 Cb -0.15 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.22 1jg3 s VAL 189 CO 0.07 0.38 1.16 -0.83 0.00 0.00 0.00 175.10 175.88 1jg3 s GLY 190 N -0.00 -0.35 0.00 4.51 0.00 0.17 0.01 107.32 111.66 1jg3 s GLY 190 Ca -0.02 1.08 0.24 0.00 0.00 0.00 0.00 44.72 46.02 1jg3 s GLY 190 CO 0.01 0.32 1.81 1.44 0.00 0.00 0.00 173.10 176.69 1jg3 n SER 191 N -0.28 0.00 -4.48 1.64 7.64 -1.26 -3.97 113.62 112.92 1jg3 n SER 191 Ca -0.04 -0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.37 1jg3 n SER 191 Cb 0.60 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.46 1jg3 n SER 191 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1jg3 s TYR 192 N -2.47 2.47 0.32 1.43 1.51 -1.24 -5.03 117.35 114.34 1jg3 s TYR 192 Ca 0.25 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1jg3 s TYR 192 Cb 0.16 -1.28 0.53 0.00 -0.11 0.00 0.00 41.96 41.27 1jg3 s TYR 192 CO 0.35 0.43 1.96 0.45 -1.11 0.00 0.00 175.55 177.63 1jg3 h HIS 193 N 3.49 0.97 -0.09 2.71 3.86 -1.94 -3.25 115.15 120.90 1jg3 h HIS 193 Ca -0.49 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1jg3 h HIS 193 Cb 1.18 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1jg3 h HIS 193 CO 0.63 0.57 0.00 1.28 0.86 0.00 0.00 177.93 181.27 1jg3 n LEU 194 N -4.44 1.97 -3.84 2.43 4.77 -1.26 -3.28 117.00 113.34 1jg3 n LEU 194 Ca 0.10 -1.54 -0.25 0.00 -0.03 0.00 0.00 56.01 54.29 1jg3 n LEU 194 Cb 0.09 -0.06 -0.17 0.00 -2.33 0.00 0.00 43.42 40.95 1jg3 n LEU 194 CO 0.35 0.47 -0.41 0.26 -1.33 0.00 0.00 177.39 176.73 1jg3 s TRP 195 N -0.74 1.13 0.36 -1.77 0.52 -1.23 -3.26 118.94 113.96 1jg3 s TRP 195 Ca 0.09 -0.52 0.06 0.00 0.02 0.00 0.00 56.10 55.75 1jg3 s TRP 195 Cb 0.05 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.30 1jg3 s TRP 195 CO 0.07 -0.44 0.22 -0.65 0.02 0.00 0.00 176.95 176.17 1jg3 s GLN 196 N 1.82 1.83 -0.12 4.98 1.11 -0.43 -3.63 119.66 125.23 1jg3 s GLN 196 Ca 0.05 -2.09 -0.00 0.00 0.01 0.00 0.00 55.36 53.33 1jg3 s GLN 196 Cb -0.13 -0.03 -0.02 0.00 -1.01 0.00 0.00 33.01 31.83 1jg3 s GLN 196 CO -0.07 -0.59 -0.11 -2.00 0.01 0.00 0.00 175.29 172.53 1jg3 s GLU 197 N -3.55 3.23 -0.59 2.91 2.56 0.10 -0.78 118.70 122.59 1jg3 s GLU 197 Ca 0.34 -0.65 -0.28 0.00 0.00 0.00 0.00 54.97 54.38 1jg3 s GLU 197 Cb 0.02 -2.63 0.03 0.00 2.00 0.00 0.00 34.13 33.55 1jg3 s GLU 197 CO 0.22 0.32 1.20 -1.17 -0.56 0.00 0.00 175.26 175.28 1jg3 s LEU 198 N 0.07 3.43 -0.06 2.70 2.96 0.47 -0.99 118.68 127.28 1jg3 s LEU 198 Ca -0.04 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1jg3 s LEU 198 Cb -0.14 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 1jg3 s LEU 198 CO 0.04 -1.50 0.16 -0.76 -1.32 0.00 0.00 176.35 172.97 1jg3 s LEU 199 N 5.00 4.37 -0.26 -0.68 1.43 -0.06 -0.46 118.68 128.02 1jg3 s LEU 199 Ca 0.42 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1jg3 s LEU 199 Cb -0.07 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 43.82 1jg3 s LEU 199 CO 0.25 0.33 -0.08 -0.70 0.23 0.00 0.00 176.35 176.37 1jg3 s GLU 200 N -1.55 2.38 -0.31 1.70 2.12 -0.29 -1.00 118.70 121.76 1jg3 s GLU 200 Ca 0.22 -1.26 -0.06 0.00 0.36 0.00 0.00 54.97 54.22 1jg3 s GLU 200 Cb -0.12 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.34 1jg3 s GLU 200 CO 0.12 -0.55 0.08 0.08 -0.54 0.00 0.00 175.26 174.46 1jg3 s VAL 201 N 1.17 3.82 -0.18 3.70 1.01 0.17 -1.00 120.40 129.08 1jg3 s VAL 201 Ca -0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1jg3 s VAL 201 Cb -0.19 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1jg3 s VAL 201 CO -0.04 -0.02 0.19 -0.13 0.00 0.00 0.00 175.10 175.10 1jg3 s ARG 202 N 1.45 4.20 -0.08 2.72 0.52 0.32 0.07 118.95 128.15 1jg3 s ARG 202 Ca 0.01 -0.10 -0.25 0.00 -0.52 0.00 0.00 55.73 54.87 1jg3 s ARG 202 Cb -0.18 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 1jg3 s ARG 202 CO 0.02 0.29 0.78 0.21 0.02 0.00 0.00 175.30 176.61 1jg3 s LYS 203 N 0.38 4.43 0.47 3.54 2.20 -0.50 -0.61 119.74 129.65 1jg3 s LYS 203 Ca 0.11 1.00 0.06 0.00 -0.36 0.00 0.00 55.97 56.78 1jg3 s LYS 203 Cb -0.12 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1jg3 s LYS 203 CO 0.00 -0.04 0.24 0.95 -0.36 0.00 0.00 175.35 176.14 1jg3 s THR 204 N 1.12 1.93 0.25 3.43 -4.23 -0.02 -0.04 115.64 118.09 1jg3 s THR 204 Ca 0.40 -1.65 0.34 0.00 -1.18 0.00 0.00 61.69 59.60 1jg3 s THR 204 Cb -0.18 -2.59 0.38 0.00 1.34 0.00 0.00 72.50 71.45 1jg3 s THR 204 CO 0.19 0.00 2.05 0.11 -0.54 0.00 0.00 174.62 176.43 1jg3 h LYS 205 N 1.16 0.00 -0.00 3.99 6.56 -1.97 -3.14 116.57 123.17 1jg3 h LYS 205 Ca -0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 1jg3 h LYS 205 Cb 1.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1jg3 h LYS 205 CO 0.66 0.04 -0.27 -0.25 -2.06 0.00 0.00 179.45 177.56 1jg3 n ASP 206 N -3.18 0.53 0.00 0.86 8.00 -1.26 -5.10 116.55 116.40 1jg3 n ASP 206 Ca -0.00 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1jg3 n ASP 206 Cb 0.27 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 1jg3 n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jg3 n GLY 207 N 1.05 -0.38 3.31 0.44 0.00 -1.19 -5.16 105.19 103.26 1jg3 n GLY 207 Ca 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1jg3 n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jg3 s ILE 208 N 0.00 0.08 -0.09 -0.61 -4.36 -1.26 -0.84 121.20 114.12 1jg3 s ILE 208 Ca 0.00 -1.26 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 1jg3 s ILE 208 Cb 0.00 -1.66 0.02 0.00 1.25 0.00 0.00 42.46 42.07 1jg3 s ILE 208 CO 0.00 -0.38 -0.11 -0.75 0.24 0.00 0.00 174.94 173.94 1jg3 s LYS 209 N -3.93 1.71 -0.19 0.37 2.20 0.22 -4.90 119.74 115.23 1jg3 s LYS 209 Ca 0.13 -0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 55.33 1jg3 s LYS 209 Cb 0.03 -1.56 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 1jg3 s LYS 209 CO -0.04 -0.11 -0.05 0.42 -0.36 0.00 0.00 175.35 175.22 1jg3 s ILE 210 N 1.14 3.54 -0.19 5.43 1.01 -1.26 -0.52 121.20 130.35 1jg3 s ILE 210 Ca -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1jg3 s ILE 210 Cb -0.14 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1jg3 s ILE 210 CO -0.02 0.46 -0.13 -0.54 0.00 0.00 0.00 174.94 174.71 1jg3 s LYS 211 N 0.94 3.20 -0.34 2.79 1.02 -0.17 -4.97 119.74 122.21 1jg3 s LYS 211 Ca -0.00 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.05 1jg3 s LYS 211 Cb -0.15 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1jg3 s LYS 211 CO 0.01 -0.14 0.68 1.21 -0.92 0.00 0.00 175.35 176.19 1jg3 s ASN 212 N 1.22 6.49 0.00 2.83 3.84 -1.26 -1.14 114.94 126.92 1jg3 s ASN 212 Ca 0.02 0.29 0.27 0.00 0.21 0.00 0.00 52.86 53.65 1jg3 s ASN 212 Cb -0.14 -2.35 0.78 0.00 -0.55 0.00 0.00 41.25 38.99 1jg3 s ASN 212 CO -0.06 -0.61 1.58 1.41 -2.79 0.00 0.00 177.10 176.64 1jg3 n HIS 213 N 6.11 0.00 0.00 0.43 8.25 0.39 -5.01 115.22 125.39 1jg3 n HIS 213 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jg3 n HIS 213 Cb 0.48 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1jg3 n HIS 213 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jg3 n GLY 214 N 1.32 1.14 3.77 -1.41 0.00 -1.26 -4.86 105.19 103.90 1jg3 n GLY 214 Ca 0.13 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 1jg3 n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg3 s GLY 215 N 0.00 3.02 0.21 -0.02 0.00 -1.26 -0.39 107.32 108.88 1jg3 s GLY 215 Ca 0.00 1.10 -0.08 0.00 0.00 0.00 0.00 44.72 45.74 1jg3 s GLY 215 CO 0.00 1.73 0.32 -1.34 0.00 0.00 0.00 173.10 173.81 1jg3 s VAL 216 N -1.16 0.02 -0.16 1.40 -7.23 0.04 -4.85 120.40 108.47 1jg3 s VAL 216 Ca 0.47 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1jg3 s VAL 216 Cb -0.36 -2.16 0.05 0.00 0.56 0.00 0.00 36.38 34.47 1jg3 s VAL 216 CO 0.48 -0.10 -0.01 0.00 -0.31 0.00 0.00 175.10 175.15 1jg3 s ALA 217 N -4.04 1.19 0.13 1.32 0.00 -1.26 -1.31 121.76 117.79 1jg3 s ALA 217 Ca 0.25 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.59 1jg3 s ALA 217 Cb 0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1jg3 s ALA 217 CO 0.07 -0.88 -0.13 -0.06 0.00 0.00 0.00 175.76 174.75 1jg3 s PHE 218 N 1.77 1.37 0.54 0.00 0.40 -1.20 -5.01 117.98 115.84 1jg3 s PHE 218 Ca 0.01 -0.59 -0.20 0.00 -0.60 0.00 0.00 56.93 55.54 1jg3 s PHE 218 Cb -0.16 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 1jg3 s PHE 218 CO -0.07 0.14 1.19 0.08 0.70 0.00 0.00 175.22 177.26 1jg3 s VAL 219 N -2.37 2.83 0.44 -0.44 1.01 -1.26 -4.21 120.40 116.40 1jg3 s VAL 219 Ca 0.10 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 1jg3 s VAL 219 Cb -0.03 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 1jg3 s VAL 219 CO 0.03 -0.07 1.29 -2.16 0.00 0.00 0.00 175.10 174.18 1jg3 s PRO 220 N -3.09 3.80 -0.29 2.72 0.04 -1.21 -0.81 135.00 136.16 1jg3 s PRO 220 Ca 0.72 2.10 -0.25 0.00 0.04 0.00 0.00 61.00 63.61 1jg3 s PRO 220 Cb -0.29 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1jg3 s PRO 220 CO 0.34 -0.62 0.85 -1.17 0.04 0.00 0.00 177.00 176.44 1jg3 s LEU 221 N -2.72 4.06 -0.24 -3.56 2.96 0.15 -4.61 118.68 114.73 1jg3 s LEU 221 Ca 0.60 0.86 -0.07 0.00 -0.22 0.00 0.00 54.13 55.30 1jg3 s LEU 221 Cb -0.37 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 1jg3 s LEU 221 CO 0.46 -0.63 0.07 -0.63 -1.32 0.00 0.00 176.35 174.30 1jg3 s ILE 222 N 3.04 4.33 -2.27 6.68 1.01 -1.26 0.53 121.20 133.26 1jg3 s ILE 222 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1jg3 s ILE 222 Cb -0.14 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1jg3 s ILE 222 CO 0.11 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1jg3 n GLY 223 N 4.76 -1.58 0.36 6.18 0.00 -0.67 -4.86 105.19 109.38 1jg3 n GLY 223 Ca -0.16 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 44.82 1jg3 n GLY 223 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jg3 h GLU 224 N 0.00 1.09 -0.35 1.61 4.81 -1.93 -2.23 114.58 117.58 1jg3 h GLU 224 Ca 0.00 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1jg3 h GLU 224 Cb 0.00 -0.24 -0.07 0.00 0.63 0.00 0.00 28.75 29.07 1jg3 h GLU 224 CO 0.00 0.72 0.01 0.66 -0.73 0.00 0.00 179.01 179.67 1jg3 n TYR 225 N -4.54 1.15 -1.47 0.92 4.02 -1.26 -4.96 117.16 111.03 1jg3 n TYR 225 Ca 0.15 -1.25 0.00 0.00 -0.01 0.00 0.00 57.90 56.79 1jg3 n TYR 225 Cb 0.20 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 1jg3 n TYR 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jg3 n GLY 226 N -0.81 5.29 3.73 2.72 0.00 -0.84 -4.52 105.19 110.77 1jg3 n GLY 226 Ca 0.29 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1jg3 n GLY 226 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jg3 s TRP 227 N 1.92 3.75 -2.19 1.61 0.52 0.19 -4.59 118.94 120.16 1jg3 s TRP 227 Ca 0.00 1.74 0.17 0.00 0.02 0.00 0.00 56.10 58.04 1jg3 s TRP 227 Cb 0.00 -3.11 0.14 0.00 -1.15 0.00 0.00 33.47 29.35 1jg3 s TRP 227 CO 0.00 -0.01 1.05 1.63 0.02 0.00 0.00 176.95 179.65