#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg4 h LYS 15 N 0.00 1.14 -0.37 3.44 1.63 -2.05 0.78 116.57 121.15 1jg4 h LYS 15 Ca 0.00 -0.17 -0.13 0.00 -0.85 0.00 0.00 60.65 59.51 1jg4 h LYS 15 Cb 0.00 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1jg4 h LYS 15 CO 0.00 0.88 -0.26 1.49 -3.45 0.00 0.00 179.45 178.11 1jg4 h GLU 16 N 1.12 0.83 -0.73 1.90 4.81 -2.06 -2.32 114.58 118.14 1jg4 h GLU 16 Ca 0.27 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1jg4 h GLU 16 Cb 0.12 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1jg4 h GLU 16 CO -0.03 1.03 0.25 -0.07 -0.73 0.00 0.00 179.01 179.46 1jg4 h LEU 17 N 0.62 1.03 -0.82 1.64 3.38 -1.89 -2.58 115.31 116.69 1jg4 h LEU 17 Ca 0.07 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1jg4 h LEU 17 Cb 0.84 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1jg4 h LEU 17 CO 0.07 0.94 -0.40 0.22 0.09 0.00 0.00 178.44 179.36 1jg4 h TYR 18 N 1.07 0.46 -0.51 1.13 3.20 -0.76 -1.65 116.97 119.92 1jg4 h TYR 18 Ca 0.24 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1jg4 h TYR 18 Cb 0.26 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1jg4 h TYR 18 CO 0.02 0.74 0.25 0.93 -1.64 0.00 0.00 178.16 178.46 1jg4 h GLU 19 N 0.33 0.74 -0.61 1.82 5.08 -1.08 -0.40 114.58 120.45 1jg4 h GLU 19 Ca 0.03 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1jg4 h GLU 19 Cb 0.85 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1jg4 h GLU 19 CO 0.07 0.61 0.09 0.87 -1.00 0.00 0.00 179.01 179.64 1jg4 h LYS 20 N 0.68 1.01 -0.70 2.33 1.57 -1.28 -2.91 116.57 117.27 1jg4 h LYS 20 Ca 0.18 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1jg4 h LYS 20 Cb 0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1jg4 h LYS 20 CO -0.02 0.94 0.20 2.35 -0.57 0.00 0.00 179.45 182.34 1jg4 h TRP 21 N 0.94 1.15 -0.68 -1.35 2.91 -0.81 -2.16 115.95 115.96 1jg4 h TRP 21 Ca 0.19 -0.13 0.01 0.00 1.13 0.00 0.00 58.89 60.09 1jg4 h TRP 21 Cb 0.43 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.72 1jg4 h TRP 21 CO 0.03 0.93 0.44 0.52 -1.03 0.00 0.00 178.44 179.33 1jg4 h MET 22 N 1.04 0.89 -0.51 2.65 2.86 -0.90 -0.64 114.93 120.32 1jg4 h MET 22 Ca 0.22 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1jg4 h MET 22 Cb 0.33 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1jg4 h MET 22 CO -0.00 0.60 -0.03 0.00 1.06 0.00 0.00 176.91 178.53 1jg4 h ARG 23 N 0.92 0.89 -0.45 1.72 2.47 -1.26 -1.06 114.38 117.62 1jg4 h ARG 23 Ca 0.25 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1jg4 h ARG 23 Cb -0.10 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 1jg4 h ARG 23 CO -0.05 0.91 0.20 1.15 0.56 0.00 0.00 179.97 182.73 1jg4 h THR 24 N 0.82 1.19 -0.51 2.04 2.02 -0.56 -0.24 112.91 117.68 1jg4 h THR 24 Ca 0.15 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1jg4 h THR 24 Cb 0.54 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1jg4 h THR 24 CO 0.03 0.22 0.15 0.58 0.37 0.00 0.00 175.52 176.86 1jg4 h VAL 25 N 0.58 1.23 -1.00 3.16 2.07 -0.97 -1.02 116.25 120.31 1jg4 h VAL 25 Ca 0.15 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1jg4 h VAL 25 Cb 0.15 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1jg4 h VAL 25 CO -0.02 0.29 0.66 -0.33 0.02 0.00 0.00 177.57 178.19 1jg4 h GLU 26 N 0.69 1.32 -0.36 1.57 5.08 -0.94 -1.56 114.58 120.39 1jg4 h GLU 26 Ca 0.16 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1jg4 h GLU 26 Cb 0.29 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jg4 h GLU 26 CO -0.00 0.88 0.14 1.98 -1.00 0.00 0.00 179.01 181.01 1jg4 h MET 27 N 1.36 0.54 -0.44 2.33 4.05 -0.60 -0.88 114.93 121.29 1jg4 h MET 27 Ca 0.37 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1jg4 h MET 27 Cb -0.15 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 1jg4 h MET 27 CO -0.08 0.53 0.20 -0.07 0.23 0.00 0.00 176.91 177.73 1jg4 h LEU 28 N 0.44 0.55 -0.20 3.39 3.38 -0.74 0.45 115.31 122.57 1jg4 h LEU 28 Ca 0.12 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1jg4 h LEU 28 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jg4 h LEU 28 CO -0.01 0.48 -0.14 0.11 0.09 0.00 0.00 178.44 178.98 1jg4 h LYS 29 N 0.62 0.45 -0.16 1.13 1.57 -0.95 0.15 116.57 119.37 1jg4 h LYS 29 Ca 0.15 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1jg4 h LYS 29 Cb 0.08 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1jg4 h LYS 29 CO -0.02 0.76 -0.03 0.00 -0.57 0.00 0.00 179.45 179.59 1jg4 h ALA 30 N 0.68 1.65 -0.00 3.86 0.00 -0.57 -0.94 119.26 123.93 1jg4 h ALA 30 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jg4 h ALA 30 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jg4 h ALA 30 CO 0.04 0.26 -0.00 0.39 0.00 0.00 0.00 179.25 179.94 1jg4 n GLU 31 N -4.37 0.19 -1.01 0.00 1.02 0.09 -4.89 120.64 111.68 1jg4 n GLU 31 Ca -0.01 -0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1jg4 n GLU 31 Cb 0.19 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1jg4 n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jg4 n GLY 32 N 1.40 0.46 0.08 0.62 0.00 -0.36 -4.93 105.19 102.47 1jg4 n GLY 32 Ca 0.10 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1jg4 n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jg4 h ILE 33 N 0.00 1.65 -3.70 -0.61 1.08 -0.94 -3.42 117.51 111.58 1jg4 h ILE 33 Ca -0.01 -2.35 -0.63 0.00 -0.39 0.00 0.00 64.86 61.48 1jg4 h ILE 33 Cb 0.05 3.22 -0.15 0.00 -3.07 0.00 0.00 36.82 36.87 1jg4 h ILE 33 CO 0.01 0.59 -0.20 -0.63 -0.69 0.00 0.00 178.15 177.23 1jg4 s ILE 34 N -2.26 5.15 0.00 -0.67 1.01 -0.82 -4.57 121.20 119.03 1jg4 s ILE 34 Ca -0.20 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1jg4 s ILE 34 Cb -0.01 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1jg4 s ILE 34 CO 0.69 0.10 0.00 -1.14 0.00 0.00 0.00 174.94 174.59 1jg4 n ARG 35 N 5.39 5.13 -4.29 2.79 3.00 -1.26 -4.27 116.66 123.15 1jg4 n ARG 35 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.48 1jg4 n ARG 35 Cb 0.50 -0.58 -0.11 0.00 0.00 0.00 0.00 32.46 32.27 1jg4 n ARG 35 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1jg4 s SER 36 N -1.15 4.08 0.40 6.15 1.04 -1.26 -5.02 113.70 117.93 1jg4 s SER 36 Ca 0.00 -0.49 0.14 0.00 0.48 0.00 0.00 55.95 56.08 1jg4 s SER 36 Cb 0.00 -0.66 0.84 0.00 0.10 0.00 0.00 66.02 66.30 1jg4 s SER 36 CO 0.00 0.18 1.88 0.07 0.98 0.00 0.00 173.24 176.36 1jg4 h LYS 37 N 3.72 0.00 -0.34 4.02 2.10 -1.99 -2.45 116.57 121.63 1jg4 h LYS 37 Ca -0.49 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1jg4 h LYS 37 Cb 1.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 1jg4 h LYS 37 CO 0.48 0.31 0.18 0.93 -2.00 0.00 0.00 179.45 179.35 1jg4 h GLU 38 N 0.00 0.47 -0.37 0.07 3.07 -1.98 0.13 114.58 115.98 1jg4 h GLU 38 Ca -0.00 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.65 1jg4 h GLU 38 Cb 0.55 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1jg4 h GLU 38 CO 0.04 0.40 -0.38 0.28 -1.40 0.00 0.00 179.01 177.95 1jg4 h VAL 39 N 0.42 1.28 -0.19 3.13 2.07 -1.94 -1.44 116.25 119.58 1jg4 h VAL 39 Ca 0.12 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1jg4 h VAL 39 Cb 0.07 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1jg4 h VAL 39 CO -0.02 0.52 0.11 -0.08 0.02 0.00 0.00 177.57 178.12 1jg4 h GLU 40 N 0.72 0.25 -0.77 1.57 4.81 -1.21 -0.94 114.58 119.02 1jg4 h GLU 40 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1jg4 h GLU 40 Cb 0.96 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 1jg4 h GLU 40 CO 0.09 0.20 0.44 0.00 -0.73 0.00 0.00 179.01 179.02 1jg4 h ARG 41 N 0.23 1.05 -0.24 1.92 3.08 -0.66 -1.42 114.38 118.34 1jg4 h ARG 41 Ca 0.07 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1jg4 h ARG 41 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1jg4 h ARG 41 CO -0.01 0.76 0.13 0.00 -1.07 0.00 0.00 179.97 179.78 1jg4 h ALA 42 N 1.23 0.31 -0.76 0.04 0.00 -0.99 -0.97 119.26 118.11 1jg4 h ALA 42 Ca 0.27 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1jg4 h ALA 42 Cb -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1jg4 h ALA 42 CO -0.05 -0.15 0.47 0.74 0.00 0.00 0.00 179.25 180.27 1jg4 h PHE 43 N 0.27 0.89 -0.05 0.00 -1.00 -0.90 -1.61 116.94 114.54 1jg4 h PHE 43 Ca 0.08 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.79 1jg4 h PHE 43 Cb 0.08 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 1jg4 h PHE 43 CO -0.03 0.48 -0.42 -0.07 -1.61 0.00 0.00 178.31 176.66 1jg4 h LEU 44 N 0.91 0.12 -0.21 1.54 3.38 -0.95 -3.12 115.31 116.98 1jg4 h LEU 44 Ca 0.32 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 1jg4 h LEU 44 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jg4 h LEU 44 CO -0.13 0.53 -0.90 0.50 0.09 0.00 0.00 178.44 178.53 1jg4 h LYS 45 N 0.09 0.41 -2.99 1.13 3.64 -0.62 -3.39 116.57 114.84 1jg4 h LYS 45 Ca 0.01 -0.42 -0.62 0.00 -1.27 0.00 0.00 60.65 58.35 1jg4 h LYS 45 Cb 0.79 0.11 -0.41 0.00 -0.41 0.00 0.00 32.23 32.32 1jg4 h LYS 45 CO 0.06 1.08 -0.67 0.71 -2.27 0.00 0.00 179.45 178.37 1jg4 s TYR 46 N -3.34 2.91 0.60 1.91 2.02 -0.66 -5.10 117.35 115.69 1jg4 s TYR 46 Ca -0.06 -3.04 -0.19 0.00 -0.37 0.00 0.00 57.07 53.41 1jg4 s TYR 46 Cb 0.09 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1jg4 s TYR 46 CO 0.86 -0.65 1.28 -1.25 -1.57 0.00 0.00 175.55 174.23 1jg4 s PRO 47 N -0.83 2.89 0.57 -1.71 0.04 -1.22 -4.77 135.00 129.97 1jg4 s PRO 47 Ca 0.24 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.60 1jg4 s PRO 47 Cb -0.08 -2.01 1.70 0.00 0.04 0.00 0.00 34.50 34.14 1jg4 s PRO 47 CO -0.13 -1.33 2.19 -0.09 0.04 0.00 0.00 177.00 177.69 1jg4 h ARG 48 N 0.97 0.00 0.00 4.56 2.43 -1.86 -2.39 114.38 118.08 1jg4 h ARG 48 Ca -0.51 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1jg4 h ARG 48 Cb 1.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1jg4 h ARG 48 CO 0.55 0.04 -0.00 0.10 -1.51 0.00 0.00 179.97 179.15 1jg4 h TYR 49 N 0.00 0.00 0.00 2.20 -0.00 -1.89 -0.01 116.97 117.26 1jg4 h TYR 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1jg4 h TYR 49 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.85 1jg4 h TYR 49 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1jg4 n LEU 50 N -3.14 0.58 -0.34 0.10 4.77 -0.90 -3.44 117.00 114.63 1jg4 n LEU 50 Ca -0.03 0.62 0.07 0.00 -0.03 0.00 0.00 56.01 56.64 1jg4 n LEU 50 Cb 0.07 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1jg4 n LEU 50 CO 0.21 -0.41 0.25 -1.54 -1.33 0.00 0.00 177.39 174.56 1jg4 n SER 51 N -2.11 1.54 -4.63 -1.43 3.41 -0.02 -4.89 113.62 105.50 1jg4 n SER 51 Ca 0.03 -1.27 -0.24 0.00 -0.26 0.00 0.00 58.87 57.13 1jg4 n SER 51 Cb 0.27 0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 64.62 1jg4 n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1jg4 s VAL 52 N -1.82 2.97 0.58 -3.33 -7.23 -1.22 -4.81 120.40 105.53 1jg4 s VAL 52 Ca 0.12 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.13 1jg4 s VAL 52 Cb 0.12 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1jg4 s VAL 52 CO 0.39 -0.29 1.20 -1.61 -0.31 0.00 0.00 175.10 174.48 1jg4 s GLU 53 N -3.69 3.06 0.33 4.82 2.02 -1.26 -4.78 118.70 119.20 1jg4 s GLU 53 Ca 0.33 1.82 0.10 0.00 0.02 0.00 0.00 54.97 57.24 1jg4 s GLU 53 Cb -0.03 -1.97 0.98 0.00 0.10 0.00 0.00 34.13 33.21 1jg4 s GLU 53 CO 0.19 -1.14 1.60 -0.44 0.02 0.00 0.00 175.26 175.49 1jg4 h ASP 54 N 0.99 -0.03 0.34 -0.19 3.32 -1.99 0.64 116.42 119.51 1jg4 h ASP 54 Ca -0.50 0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1jg4 h ASP 54 Cb 1.29 0.34 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1jg4 h ASP 54 CO 0.56 -0.33 0.00 2.29 -1.72 0.00 0.00 179.24 180.04 1jg4 n LYS 55 N -5.32 0.04 0.00 3.56 2.85 -1.26 -2.51 118.16 115.51 1jg4 n LYS 55 Ca 0.29 0.38 0.05 0.00 -1.05 0.00 0.00 58.31 57.97 1jg4 n LYS 55 Cb 0.95 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.72 1jg4 n LYS 55 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jg4 n TYR 56 N -1.65 0.00 0.04 5.58 4.01 0.21 -4.61 117.16 120.74 1jg4 n TYR 56 Ca 0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.92 1jg4 n TYR 56 Cb 0.12 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 39.79 1jg4 n TYR 56 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jg4 h LYS 57 N 0.53 0.08 0.00 -0.72 1.57 -1.40 0.14 116.57 116.77 1jg4 h LYS 57 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jg4 h LYS 57 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1jg4 h LYS 57 CO 0.00 0.05 0.00 0.36 -0.57 0.00 0.00 179.45 179.29 1jg4 n LYS 58 N -4.43 0.15 0.00 3.15 2.85 -1.26 -2.27 118.16 116.35 1jg4 n LYS 58 Ca 0.07 0.46 0.04 0.00 -1.05 0.00 0.00 58.31 57.83 1jg4 n LYS 58 Cb 0.44 -1.84 0.02 0.00 -0.65 0.00 0.00 35.03 33.01 1jg4 n LYS 58 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jg4 n TYR 59 N -2.13 0.00 0.02 5.58 4.01 0.02 -4.70 117.16 119.96 1jg4 n TYR 59 Ca 0.01 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.95 1jg4 n TYR 59 Cb 0.16 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 39.90 1jg4 n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jg4 h ALA 60 N 1.58 2.41 0.00 -0.72 0.00 -1.23 -0.87 119.26 120.44 1jg4 h ALA 60 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jg4 h ALA 60 Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jg4 h ALA 60 CO 0.00 -0.64 -0.24 -2.39 0.00 0.00 0.00 179.25 175.98 1jg4 n HIS 61 N -4.25 0.57 -2.61 0.00 1.44 -1.26 -4.75 115.22 104.34 1jg4 n HIS 61 Ca 0.09 0.17 -0.41 0.00 -2.01 0.00 0.00 57.72 55.56 1jg4 n HIS 61 Cb 0.60 -0.71 -0.04 0.00 0.12 0.00 0.00 29.99 29.95 1jg4 n HIS 61 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1jg4 s ILE 62 N -3.09 4.14 -1.29 0.61 1.01 -0.33 -4.76 121.20 117.47 1jg4 s ILE 62 Ca 0.10 1.83 -0.18 0.00 0.00 0.00 0.00 60.65 62.39 1jg4 s ILE 62 Cb 0.14 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.48 1jg4 s ILE 62 CO 0.63 0.30 1.85 -0.67 0.00 0.00 0.00 174.94 177.06 1jg4 n ASP 63 N 2.52 4.44 -3.67 3.58 -0.08 -1.26 -4.72 116.55 117.35 1jg4 n ASP 63 Ca 0.02 -2.87 -0.14 0.00 -1.51 0.00 0.00 54.79 50.30 1jg4 n ASP 63 Cb 0.47 -1.71 -0.07 0.00 2.34 0.00 0.00 41.12 42.15 1jg4 n ASP 63 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1jg4 s GLU 64 N 4.39 0.87 0.73 -0.67 -1.05 -1.26 -4.86 118.70 116.84 1jg4 s GLU 64 Ca 0.55 -0.23 -0.11 0.00 -0.15 0.00 0.00 54.97 55.03 1jg4 s GLU 64 Cb 0.05 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.17 1jg4 s GLU 64 CO 0.06 -0.28 1.08 -1.25 0.95 0.00 0.00 175.26 175.82 1jg4 s PRO 65 N -1.98 2.62 0.07 -4.83 0.04 -1.26 -4.24 135.00 125.42 1jg4 s PRO 65 Ca -0.08 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.07 1jg4 s PRO 65 Cb -0.02 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1jg4 s PRO 65 CO 0.01 -1.36 -0.09 -0.51 0.04 0.00 0.00 177.00 175.10 1jg4 s LEU 66 N -5.65 2.35 0.50 -3.56 1.43 -0.60 -4.91 118.68 108.24 1jg4 s LEU 66 Ca 0.60 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 1jg4 s LEU 66 Cb -0.16 -0.21 -0.08 0.00 0.03 0.00 0.00 46.19 45.78 1jg4 s LEU 66 CO 0.54 -0.26 1.07 -2.84 0.23 0.00 0.00 176.35 175.09 1jg4 s PRO 67 N -2.37 3.65 0.27 1.29 0.02 -1.26 -0.16 135.00 136.44 1jg4 s PRO 67 Ca -0.01 1.46 0.02 0.00 0.02 0.00 0.00 61.00 62.49 1jg4 s PRO 67 Cb -0.05 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1jg4 s PRO 67 CO -0.01 -0.58 0.14 0.96 -0.33 0.00 0.00 177.00 177.18 1jg4 s ILE 68 N -1.89 0.34 1.03 2.83 -4.36 -0.91 -4.70 121.20 113.54 1jg4 s ILE 68 Ca 0.69 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.95 1jg4 s ILE 68 Cb -0.19 -2.55 0.13 0.00 1.25 0.00 0.00 42.46 41.10 1jg4 s ILE 68 CO 0.23 0.00 0.62 -2.65 0.24 0.00 0.00 174.94 173.38 1jg4 n PRO 69 N -0.49 -1.08 -2.27 0.37 -0.02 -1.26 -3.75 135.00 126.49 1jg4 n PRO 69 Ca 0.01 -0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.01 1jg4 n PRO 69 Cb 0.65 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1jg4 n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jg4 n ALA 70 N -4.24 -0.58 -1.06 3.55 0.00 -1.26 -2.94 120.51 113.98 1jg4 n ALA 70 Ca 0.06 0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 1jg4 n ALA 70 Cb 0.55 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 1jg4 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg4 n GLY 71 N -0.90 0.49 0.70 0.00 0.00 -1.25 -5.02 105.19 99.21 1jg4 n GLY 71 Ca -0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1jg4 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jg4 n GLN 72 N -1.94 1.01 -3.79 1.61 1.13 -1.15 -4.99 117.38 109.26 1jg4 n GLN 72 Ca -0.02 -0.57 -0.10 0.00 -1.94 0.00 0.00 57.00 54.37 1jg4 n GLN 72 Cb 0.19 -0.02 -0.06 0.00 0.11 0.00 0.00 30.24 30.46 1jg4 n GLN 72 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jg4 s THR 73 N 0.19 0.09 -0.15 5.09 -4.23 -1.26 -2.15 115.64 113.22 1jg4 s THR 73 Ca 0.10 -0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 1jg4 s THR 73 Cb -0.01 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 1jg4 s THR 73 CO 0.06 -0.40 0.22 0.54 -0.54 0.00 0.00 174.62 174.51 1jg4 s VAL 74 N -3.86 5.36 0.85 2.29 0.11 0.78 -4.83 120.40 121.09 1jg4 s VAL 74 Ca 0.07 0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 59.40 1jg4 s VAL 74 Cb 0.03 -3.54 0.11 0.00 -1.53 0.00 0.00 36.38 31.45 1jg4 s VAL 74 CO -0.08 0.48 1.16 -0.44 -3.33 0.00 0.00 175.10 172.88 1jg4 s SER 75 N -0.06 3.42 0.41 3.54 0.01 -1.26 -1.56 113.70 118.19 1jg4 s SER 75 Ca 0.14 2.20 -0.25 0.00 1.31 0.00 0.00 55.95 59.35 1jg4 s SER 75 Cb -0.13 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.45 1jg4 s SER 75 CO 0.03 -2.77 1.25 0.00 0.41 0.00 0.00 173.24 172.16 1jg4 s ALA 76 N -2.50 3.19 0.27 1.44 0.00 -1.26 -4.68 121.76 118.23 1jg4 s ALA 76 Ca 0.68 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1jg4 s ALA 76 Cb -0.24 -3.45 0.63 0.00 0.00 0.00 0.00 23.12 20.06 1jg4 s ALA 76 CO 0.54 -0.73 1.69 -1.35 0.00 0.00 0.00 175.76 175.91 1jg4 h PRO 77 N 2.59 0.33 -0.22 0.00 0.11 -1.85 -1.03 132.00 131.94 1jg4 h PRO 77 Ca -0.49 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1jg4 h PRO 77 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1jg4 h PRO 77 CO 0.62 0.22 -0.13 1.12 -0.21 0.00 0.00 178.00 179.62 1jg4 h HIS 78 N 0.34 0.38 -0.35 0.65 2.07 -1.92 -1.16 115.15 115.16 1jg4 h HIS 78 Ca 0.51 -0.05 -0.14 0.00 -2.85 0.00 0.00 60.37 57.84 1jg4 h HIS 78 Cb 0.93 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.80 1jg4 h HIS 78 CO -0.20 0.48 -0.31 1.98 -3.07 0.00 0.00 177.93 176.81 1jg4 h MET 79 N 0.34 0.83 -0.57 5.12 -1.53 -1.57 0.31 114.93 117.85 1jg4 h MET 79 Ca 0.07 -0.42 -0.05 0.00 -3.44 0.00 0.00 59.70 55.85 1jg4 h MET 79 Cb 0.43 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.47 1jg4 h MET 79 CO 0.03 1.06 0.17 0.28 0.14 0.00 0.00 176.91 178.59 1jg4 h VAL 80 N 0.61 1.24 -0.27 -5.77 2.07 -1.16 -1.85 116.25 111.12 1jg4 h VAL 80 Ca 0.06 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1jg4 h VAL 80 Cb 0.89 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1jg4 h VAL 80 CO 0.08 0.31 0.12 0.00 0.02 0.00 0.00 177.57 178.10 1jg4 h ALA 81 N 1.04 0.36 -0.55 1.67 0.00 -1.05 -1.19 119.26 119.54 1jg4 h ALA 81 Ca 0.18 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1jg4 h ALA 81 Cb 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1jg4 h ALA 81 CO -0.00 -0.06 0.28 0.82 0.00 0.00 0.00 179.25 180.29 1jg4 h ILE 82 N 0.30 0.96 -0.36 0.00 2.04 -0.77 0.03 117.51 119.71 1jg4 h ILE 82 Ca 0.09 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1jg4 h ILE 82 Cb 0.16 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1jg4 h ILE 82 CO -0.01 0.10 -0.23 0.24 0.00 0.00 0.00 178.15 178.25 1jg4 h MET 83 N 0.55 0.71 -0.41 2.37 2.86 -1.15 -1.68 114.93 118.17 1jg4 h MET 83 Ca 0.24 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1jg4 h MET 83 Cb 0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1jg4 h MET 83 CO -0.16 0.88 -0.27 -0.07 1.06 0.00 0.00 176.91 178.35 1jg4 h LEU 84 N 0.62 0.89 -0.69 1.22 3.38 -0.73 -1.51 115.31 118.49 1jg4 h LEU 84 Ca 0.09 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1jg4 h LEU 84 Cb 0.72 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1jg4 h LEU 84 CO 0.06 1.10 0.05 -0.33 0.09 0.00 0.00 178.44 179.41 1jg4 h GLU 85 N 0.74 1.06 -0.59 1.13 4.39 -0.78 -2.28 114.58 118.25 1jg4 h GLU 85 Ca 0.09 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 1jg4 h GLU 85 Cb 0.81 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1jg4 h GLU 85 CO 0.07 1.00 0.16 0.82 -1.16 0.00 0.00 179.01 179.91 1jg4 h ILE 86 N 0.98 1.23 0.00 3.13 2.04 -1.16 -2.60 117.51 121.13 1jg4 h ILE 86 Ca 0.19 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1jg4 h ILE 86 Cb 0.49 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1jg4 h ILE 86 CO 0.02 0.31 -0.09 0.00 0.00 0.00 0.00 178.15 178.39 1jg4 h ALA 87 N 1.31 1.55 -6.50 1.87 0.00 -0.70 -3.47 119.26 113.32 1jg4 h ALA 87 Ca 0.19 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.52 1jg4 h ALA 87 Cb 0.28 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jg4 h ALA 87 CO -0.01 0.11 -0.94 -1.71 0.00 0.00 0.00 179.25 176.70 1jg4 n ASN 88 N -4.00 -3.36 -4.77 0.00 5.15 -0.98 -4.87 115.26 102.43 1jg4 n ASN 88 Ca -0.02 -1.09 -0.39 0.00 -0.60 0.00 0.00 54.58 52.47 1jg4 n ASN 88 Cb 0.18 -2.82 -0.02 0.00 -0.53 0.00 0.00 39.78 36.59 1jg4 n ASN 88 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jg4 s LEU 89 N -6.88 4.32 0.10 1.20 1.43 -1.26 -5.06 118.68 112.53 1jg4 s LEU 89 Ca 0.33 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.90 1jg4 s LEU 89 Cb -0.14 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 1jg4 s LEU 89 CO 0.90 -0.55 -0.11 -0.54 0.23 0.00 0.00 176.35 176.28 1jg4 s LYS 90 N -2.01 0.86 0.37 1.70 -0.14 -1.26 -4.94 119.74 114.32 1jg4 s LYS 90 Ca 0.53 -1.13 -0.27 0.00 -1.36 0.00 0.00 55.97 53.74 1jg4 s LYS 90 Cb -0.33 -0.61 -0.11 0.00 -1.68 0.00 0.00 37.83 35.09 1jg4 s LYS 90 CO 0.43 0.11 1.20 -2.30 -0.76 0.00 0.00 175.35 174.03 1jg4 n PRO 91 N 0.66 1.84 0.00 -1.68 -0.02 -1.25 -2.40 135.00 132.15 1jg4 n PRO 91 Ca -0.17 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1jg4 n PRO 91 Cb 0.57 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1jg4 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jg4 n GLY 92 N 0.91 2.47 3.74 -1.23 0.00 0.75 -5.01 105.19 106.82 1jg4 n GLY 92 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1jg4 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jg4 s MET 93 N -0.38 2.70 -0.39 1.61 -1.94 -1.01 -4.98 119.30 114.90 1jg4 s MET 93 Ca 0.00 1.81 -0.11 0.00 -1.71 0.00 0.00 55.69 55.68 1jg4 s MET 93 Cb 0.00 -1.90 0.04 0.00 2.01 0.00 0.00 34.83 34.98 1jg4 s MET 93 CO 0.00 -1.42 0.23 1.21 -0.01 0.00 0.00 175.02 175.03 1jg4 s ASN 94 N -1.75 5.76 -0.05 3.03 2.47 -1.26 -4.87 114.94 118.27 1jg4 s ASN 94 Ca 0.77 -1.10 0.03 0.00 0.42 0.00 0.00 52.86 52.98 1jg4 s ASN 94 Cb -0.30 -2.03 -0.03 0.00 -1.45 0.00 0.00 41.25 37.44 1jg4 s ASN 94 CO 0.37 -0.43 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.58 1jg4 s ILE 95 N 1.54 3.28 -0.13 -5.21 -1.09 -1.26 -0.63 121.20 117.70 1jg4 s ILE 95 Ca 0.02 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1jg4 s ILE 95 Cb -0.20 -2.31 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 1jg4 s ILE 95 CO 0.06 0.59 -0.21 -0.22 -1.23 0.00 0.00 174.94 173.93 1jg4 s LEU 96 N -0.77 2.19 -0.13 2.97 2.96 -0.90 -2.07 118.68 122.94 1jg4 s LEU 96 Ca 0.12 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1jg4 s LEU 96 Cb -0.11 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1jg4 s LEU 96 CO 0.01 0.10 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.42 1jg4 s GLU 97 N 0.71 3.39 -0.30 1.98 2.12 0.43 -1.00 118.70 126.04 1jg4 s GLU 97 Ca -0.09 -0.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.70 1jg4 s GLU 97 Cb -0.16 -2.87 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1jg4 s GLU 97 CO 0.01 0.43 0.08 0.08 -0.54 0.00 0.00 175.26 175.32 1jg4 s VAL 98 N -0.14 3.91 0.00 3.70 1.01 0.33 -1.27 120.40 127.94 1jg4 s VAL 98 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1jg4 s VAL 98 Cb -0.13 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1jg4 s VAL 98 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1jg4 n GLY 99 N 4.85 0.76 0.18 4.51 0.00 0.83 -0.90 105.19 115.42 1jg4 n GLY 99 Ca -0.14 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 1jg4 n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jg4 h THR 100 N 0.00 0.91 0.00 2.61 2.02 -1.68 -3.44 112.91 113.32 1jg4 h THR 100 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1jg4 h THR 100 Cb 0.00 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1jg4 h THR 100 CO 0.00 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.57 1jg4 n GLY 101 N -1.24 2.75 0.08 2.16 0.00 -1.26 -1.24 105.19 106.44 1jg4 n GLY 101 Ca 0.03 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1jg4 n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jg4 h SER 102 N 0.00 0.00 0.00 1.61 4.64 -1.88 -3.36 113.55 114.56 1jg4 h SER 102 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1jg4 h SER 102 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jg4 h SER 102 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1jg4 n GLY 103 N 1.31 0.99 0.21 -0.77 0.00 -0.38 -4.38 105.19 102.17 1jg4 n GLY 103 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1jg4 n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1jg4 h TRP 104 N 0.00 -0.43 -0.69 1.61 7.01 -1.93 -1.43 115.95 120.08 1jg4 h TRP 104 Ca 0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1jg4 h TRP 104 Cb 0.00 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 1jg4 h TRP 104 CO 0.00 -0.26 0.44 -0.97 -2.79 0.00 0.00 178.44 174.86 1jg4 h ASN 105 N -0.40 0.72 -0.74 2.65 -1.24 -1.93 -1.62 115.58 113.02 1jg4 h ASN 105 Ca -0.02 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.96 1jg4 h ASN 105 Cb 0.35 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.20 1jg4 h ASN 105 CO 0.00 0.50 0.36 0.00 -1.29 0.00 0.00 177.43 177.00 1jg4 h ALA 106 N 1.29 1.20 -0.51 1.57 0.00 -1.84 -0.20 119.26 120.78 1jg4 h ALA 106 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jg4 h ALA 106 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1jg4 h ALA 106 CO -0.10 0.60 0.24 0.00 0.00 0.00 0.00 179.25 179.99 1jg4 h ALA 107 N 1.31 0.66 -0.31 0.00 0.00 -0.68 -0.69 119.26 119.55 1jg4 h ALA 107 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jg4 h ALA 107 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jg4 h ALA 107 CO -0.03 0.23 0.18 -0.07 0.00 0.00 0.00 179.25 179.56 1jg4 h LEU 108 N 0.68 0.38 -0.48 0.00 3.38 -0.69 -1.97 115.31 116.61 1jg4 h LEU 108 Ca 0.17 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1jg4 h LEU 108 Cb 0.13 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1jg4 h LEU 108 CO -0.02 0.34 0.23 0.40 0.09 0.00 0.00 178.44 179.48 1jg4 h ILE 109 N 0.39 0.94 -0.50 1.22 2.04 -0.80 -2.38 117.51 118.42 1jg4 h ILE 109 Ca 0.11 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1jg4 h ILE 109 Cb 0.04 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1jg4 h ILE 109 CO -0.02 0.08 0.26 0.77 0.00 0.00 0.00 178.15 179.24 1jg4 h SER 110 N 0.45 0.61 0.20 1.72 4.64 -0.79 -0.97 113.55 119.41 1jg4 h SER 110 Ca 0.21 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1jg4 h SER 110 Cb 0.14 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1jg4 h SER 110 CO -0.16 0.51 -0.25 -0.08 -0.87 0.00 0.00 176.83 175.98 1jg4 h GLU 111 N 0.69 0.09 0.14 4.77 4.57 -0.84 -1.33 114.58 122.68 1jg4 h GLU 111 Ca 0.18 -0.03 -0.28 0.00 -1.18 0.00 0.00 59.36 58.05 1jg4 h GLU 111 Cb 0.04 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1jg4 h GLU 111 CO -0.03 0.34 -1.40 0.82 -1.18 0.00 0.00 179.01 177.56 1jg4 h ILE 112 N 0.09 1.09 0.00 2.32 2.04 -1.12 -3.37 117.51 118.56 1jg4 h ILE 112 Ca 0.01 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.42 1jg4 h ILE 112 Cb 0.49 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1jg4 h ILE 112 CO 0.03 0.74 -0.17 1.33 0.00 0.00 0.00 178.15 180.09 1jg4 n VAL 113 N -3.87 0.41 -2.76 1.67 0.24 -0.46 -3.79 118.33 109.77 1jg4 n VAL 113 Ca -0.23 -0.22 -0.18 0.00 -2.04 0.00 0.00 64.34 61.67 1jg4 n VAL 113 Cb 0.94 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1jg4 n VAL 113 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jg4 n LYS 114 N -2.06 -2.91 -3.16 7.34 4.76 -0.51 -0.18 118.16 121.44 1jg4 n LYS 114 Ca 0.05 0.69 -0.08 0.00 -2.87 0.00 0.00 58.31 56.09 1jg4 n LYS 114 Cb 0.41 -5.37 0.00 0.00 -1.84 0.00 0.00 35.03 28.23 1jg4 n LYS 114 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1jg4 n THR 115 N -3.81 0.00 -1.72 -0.18 5.66 -1.26 -4.76 114.28 108.20 1jg4 n THR 115 Ca -0.12 -0.98 -0.43 0.00 -3.05 0.00 0.00 64.05 59.47 1jg4 n THR 115 Cb 0.61 0.76 -0.02 0.00 -1.55 0.00 0.00 70.33 70.13 1jg4 n THR 115 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jg4 n ASP 116 N -1.55 3.70 -4.23 1.09 8.00 -1.26 -4.82 116.55 117.48 1jg4 n ASP 116 Ca -0.03 1.12 -0.30 0.00 0.71 0.00 0.00 54.79 56.28 1jg4 n ASP 116 Cb 0.43 -1.55 -0.16 0.00 -0.02 0.00 0.00 41.12 39.82 1jg4 n ASP 116 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jg4 s VAL 117 N 0.39 1.87 -0.15 2.53 1.01 0.50 -4.53 120.40 122.02 1jg4 s VAL 117 Ca 0.69 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1jg4 s VAL 117 Cb -0.53 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1jg4 s VAL 117 CO 0.43 0.52 -0.05 -0.31 0.00 0.00 0.00 175.10 175.70 1jg4 s TYR 118 N -0.12 3.00 -0.02 5.22 2.02 -0.88 -0.33 117.35 126.24 1jg4 s TYR 118 Ca -0.03 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1jg4 s TYR 118 Cb -0.13 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1jg4 s TYR 118 CO 0.03 -0.04 -0.04 -0.08 -1.57 0.00 0.00 175.55 173.84 1jg4 s THR 119 N 0.33 0.40 -0.04 -0.71 -1.32 -0.42 -0.43 115.64 113.45 1jg4 s THR 119 Ca -0.05 -0.16 0.04 0.00 -1.21 0.00 0.00 61.69 60.32 1jg4 s THR 119 Cb -0.14 -0.38 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1jg4 s THR 119 CO 0.03 0.14 -0.16 -0.51 -2.21 0.00 0.00 174.62 171.92 1jg4 s ILE 120 N 0.25 2.92 -0.01 5.08 2.07 -0.39 -0.63 121.20 130.48 1jg4 s ILE 120 Ca -0.03 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 58.41 1jg4 s ILE 120 Cb -0.06 -2.14 0.01 0.00 0.13 0.00 0.00 42.46 40.40 1jg4 s ILE 120 CO -0.00 0.57 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.88 1jg4 s GLU 121 N -0.78 0.27 0.24 3.50 2.56 -0.32 -0.12 118.70 124.05 1jg4 s GLU 121 Ca 0.12 -0.04 0.23 0.00 0.00 0.00 0.00 54.97 55.28 1jg4 s GLU 121 Cb -0.11 -0.34 0.15 0.00 2.00 0.00 0.00 34.13 35.84 1jg4 s GLU 121 CO 0.01 -0.01 1.23 0.07 -0.56 0.00 0.00 175.26 175.99 1jg4 h ARG 122 N 6.55 0.00 -4.97 4.30 0.11 -1.83 -1.07 114.38 117.46 1jg4 h ARG 122 Ca -0.33 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.09 1jg4 h ARG 122 Cb 1.17 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.08 1jg4 h ARG 122 CO 0.49 0.00 -0.28 0.42 0.10 0.00 0.00 179.97 180.71 1jg4 s ILE 123 N -3.29 5.16 0.29 0.08 1.01 -1.26 -4.73 121.20 118.47 1jg4 s ILE 123 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.79 1jg4 s ILE 123 Cb 0.09 -3.82 0.28 0.00 0.01 0.00 0.00 42.46 39.02 1jg4 s ILE 123 CO 0.75 -0.08 1.75 -0.65 0.00 0.00 0.00 174.94 176.71 1jg4 h PRO 124 N 8.45 0.61 -0.90 2.79 0.11 -2.00 -0.56 132.00 140.51 1jg4 h PRO 124 Ca -0.30 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.80 1jg4 h PRO 124 Cb 1.14 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1jg4 h PRO 124 CO 0.69 0.41 0.59 1.49 -0.21 0.00 0.00 178.00 180.97 1jg4 h GLU 125 N 0.63 1.12 0.00 1.05 4.81 -1.99 -1.86 114.58 118.34 1jg4 h GLU 125 Ca 0.54 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.54 1jg4 h GLU 125 Cb 0.88 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1jg4 h GLU 125 CO -0.41 0.74 -0.78 -0.07 -0.73 0.00 0.00 179.01 177.76 1jg4 h LEU 126 N 1.16 0.00 -0.66 1.64 3.38 -1.48 -1.14 115.31 118.21 1jg4 h LEU 126 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1jg4 h LEU 126 Cb -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1jg4 h LEU 126 CO -0.09 0.78 0.34 0.58 0.09 0.00 0.00 178.44 180.14 1jg4 h VAL 127 N 0.00 1.21 -0.29 1.22 2.07 -0.62 0.21 116.25 120.06 1jg4 h VAL 127 Ca -0.01 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 1jg4 h VAL 127 Cb 1.52 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1jg4 h VAL 127 CO 0.10 0.24 -0.15 -0.33 0.02 0.00 0.00 177.57 177.45 1jg4 h GLU 128 N 0.90 0.62 -0.21 1.57 4.39 -1.27 -1.52 114.58 119.06 1jg4 h GLU 128 Ca 0.23 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1jg4 h GLU 128 Cb 0.07 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1jg4 h GLU 128 CO -0.03 0.86 0.02 0.35 -1.16 0.00 0.00 179.01 179.04 1jg4 h PHE 129 N 0.37 0.03 -0.35 4.33 3.57 -0.83 -1.10 116.94 122.96 1jg4 h PHE 129 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1jg4 h PHE 129 Cb 0.67 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1jg4 h PHE 129 CO 0.06 -0.01 0.11 0.00 -2.23 0.00 0.00 178.31 176.25 1jg4 h ALA 130 N 1.17 0.46 -0.83 2.41 0.00 -0.56 -1.88 119.26 120.03 1jg4 h ALA 130 Ca 0.10 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jg4 h ALA 130 Cb 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1jg4 h ALA 130 CO -0.15 0.10 0.53 0.87 0.00 0.00 0.00 179.25 180.60 1jg4 h LYS 131 N 0.42 0.99 -0.40 0.00 1.57 -1.02 -0.48 116.57 117.65 1jg4 h LYS 131 Ca 0.11 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1jg4 h LYS 131 Cb 0.25 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1jg4 h LYS 131 CO -0.00 0.66 0.12 0.00 -0.57 0.00 0.00 179.45 179.66 1jg4 h ARG 132 N 1.02 0.62 -0.67 3.15 2.47 -1.01 -0.82 114.38 119.14 1jg4 h ARG 132 Ca 0.33 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 1jg4 h ARG 132 Cb 0.03 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 1jg4 h ARG 132 CO -0.12 0.62 0.37 -0.91 0.56 0.00 0.00 179.97 180.49 1jg4 h ASN 133 N 0.50 0.84 -0.31 7.04 2.35 -0.85 -0.32 115.58 124.83 1jg4 h ASN 133 Ca 0.13 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1jg4 h ASN 133 Cb 0.26 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1jg4 h ASN 133 CO -0.00 0.70 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.37 1jg4 h LEU 134 N 0.92 0.57 -0.33 1.61 3.38 -0.97 -1.77 115.31 118.72 1jg4 h LEU 134 Ca 0.24 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1jg4 h LEU 134 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1jg4 h LEU 134 CO -0.04 0.78 0.15 -0.08 0.09 0.00 0.00 178.44 179.34 1jg4 h GLU 135 N 0.36 0.49 -0.68 1.13 4.81 -1.00 0.61 114.58 120.30 1jg4 h GLU 135 Ca 0.08 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1jg4 h GLU 135 Cb 0.51 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1jg4 h GLU 135 CO 0.02 0.46 0.45 -0.09 -0.73 0.00 0.00 179.01 179.12 1jg4 h ARG 136 N 0.40 0.76 -0.01 1.92 2.43 -0.99 -0.78 114.38 118.11 1jg4 h ARG 136 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1jg4 h ARG 136 Cb 0.14 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1jg4 h ARG 136 CO -0.01 0.50 -0.05 0.00 -1.51 0.00 0.00 179.97 178.90 1jg4 n ALA 137 N -2.45 2.69 -0.98 2.80 0.00 -0.67 -4.92 120.51 116.97 1jg4 n ALA 137 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1jg4 n ALA 137 Cb 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1jg4 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg4 n GLY 138 N 1.16 0.43 3.70 0.00 0.00 -0.30 -5.02 105.19 105.16 1jg4 n GLY 138 Ca 0.19 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1jg4 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jg4 s VAL 139 N -2.00 4.90 -0.03 1.61 1.01 0.12 -4.92 120.40 121.09 1jg4 s VAL 139 Ca 0.00 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1jg4 s VAL 139 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1jg4 s VAL 139 CO 0.00 0.11 0.03 0.29 0.00 0.00 0.00 175.10 175.53 1jg4 n LYS 140 N 4.47 2.61 0.00 2.72 4.76 -1.26 -4.36 118.16 127.09 1jg4 n LYS 140 Ca 0.04 -0.01 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 1jg4 n LYS 140 Cb 0.50 -1.09 0.55 0.00 -1.84 0.00 0.00 35.03 33.15 1jg4 n LYS 140 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jg4 n ASN 141 N -2.01 0.00 -4.68 4.39 5.03 -1.26 -4.72 115.26 112.00 1jg4 n ASN 141 Ca -0.05 0.13 -0.38 0.00 0.87 0.00 0.00 54.58 55.16 1jg4 n ASN 141 Cb 0.49 -0.36 -0.07 0.00 -1.02 0.00 0.00 39.78 38.83 1jg4 n ASN 141 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jg4 s VAL 142 N -2.71 5.17 -0.29 2.41 1.01 -1.26 -0.37 120.40 124.35 1jg4 s VAL 142 Ca 0.18 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 1jg4 s VAL 142 Cb 0.15 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1jg4 s VAL 142 CO 0.37 0.25 -0.03 -1.00 0.00 0.00 0.00 175.10 174.69 1jg4 s HIS 143 N 1.21 3.27 -0.14 5.22 3.76 0.55 -4.95 115.29 124.21 1jg4 s HIS 143 Ca 0.23 -2.00 -0.20 0.00 -0.15 0.00 0.00 55.06 52.94 1jg4 s HIS 143 Cb -0.15 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1jg4 s HIS 143 CO 0.09 -0.83 0.56 0.08 -0.85 0.00 0.00 174.74 173.79 1jg4 s VAL 144 N 1.21 5.11 -0.05 -0.90 1.01 -1.26 -1.30 120.40 124.22 1jg4 s VAL 144 Ca -0.06 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.07 1jg4 s VAL 144 Cb -0.20 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1jg4 s VAL 144 CO -0.02 0.24 -0.25 -0.63 0.00 0.00 0.00 175.10 174.44 1jg4 s ILE 145 N 1.14 2.00 -0.18 2.22 1.01 0.20 -4.98 121.20 122.61 1jg4 s ILE 145 Ca 0.28 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 1jg4 s ILE 145 Cb -0.16 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1jg4 s ILE 145 CO 0.11 0.56 0.74 -0.22 0.00 0.00 0.00 174.94 176.14 1jg4 s LEU 146 N -0.27 4.16 0.00 2.97 2.96 -1.26 -1.17 118.68 126.07 1jg4 s LEU 146 Ca 0.00 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 1jg4 s LEU 146 Cb -0.12 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.48 1jg4 s LEU 146 CO 0.02 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 1jg4 n GLY 147 N 3.60 -1.71 3.37 7.98 0.00 -0.41 -4.92 105.19 113.10 1jg4 n GLY 147 Ca 0.02 -1.10 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 1jg4 n GLY 147 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg4 s ASP 148 N -1.87 6.35 0.00 1.61 2.15 -1.26 -3.00 116.67 120.64 1jg4 s ASP 148 Ca 0.00 -1.78 0.09 0.00 0.43 0.00 0.00 52.55 51.29 1jg4 s ASP 148 Cb 0.00 -2.29 0.39 0.00 -0.30 0.00 0.00 42.92 40.72 1jg4 s ASP 148 CO 0.00 -0.99 1.27 0.61 -0.17 0.00 0.00 175.17 175.89 1jg4 n GLY 149 N 5.07 -0.78 0.10 2.66 0.00 -1.26 -1.88 105.19 109.10 1jg4 n GLY 149 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1jg4 n GLY 149 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jg4 n SER 150 N -1.47 0.51 -1.05 1.61 3.41 -1.26 -0.50 113.62 114.87 1jg4 n SER 150 Ca 0.02 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1jg4 n SER 150 Cb 0.10 -0.73 0.22 0.00 -0.26 0.00 0.00 64.21 63.54 1jg4 n SER 150 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jg4 n LYS 151 N -2.06 2.38 0.00 4.33 5.02 -0.79 -4.55 118.16 122.49 1jg4 n LYS 151 Ca 0.03 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 1jg4 n LYS 151 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1jg4 n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jg4 n GLY 152 N 1.44 0.98 2.75 0.72 0.00 0.35 -4.57 105.19 106.86 1jg4 n GLY 152 Ca 0.18 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1jg4 n GLY 152 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jg4 s PHE 153 N 0.00 -0.85 0.30 1.61 5.36 -1.26 -4.59 117.98 118.55 1jg4 s PHE 153 Ca 0.00 -0.86 0.06 0.00 -0.96 0.00 0.00 56.93 55.16 1jg4 s PHE 153 Cb 0.00 -0.06 0.78 0.00 -0.34 0.00 0.00 43.02 43.40 1jg4 s PHE 153 CO 0.00 -1.12 1.71 -1.35 -1.46 0.00 0.00 175.22 173.00 1jg4 h PRO 154 N 5.76 0.47 -1.14 10.12 0.11 -1.97 -2.96 132.00 142.40 1jg4 h PRO 154 Ca 0.10 -0.03 0.32 0.00 0.11 0.00 0.00 66.00 66.51 1jg4 h PRO 154 Cb 1.07 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.97 1jg4 h PRO 154 CO 0.13 0.31 0.74 -1.35 -0.21 0.00 0.00 178.00 177.62 1jg4 h PRO 155 N 0.49 0.26 -0.19 1.05 0.11 -1.99 -1.73 132.00 129.98 1jg4 h PRO 155 Ca 0.59 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1jg4 h PRO 155 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1jg4 h PRO 155 CO -0.50 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 179.09 1jg4 n LYS 156 N -4.60 2.88 -1.76 1.05 4.76 -1.12 -5.02 118.16 114.34 1jg4 n LYS 156 Ca 0.29 -1.88 -0.32 0.00 -2.87 0.00 0.00 58.31 53.54 1jg4 n LYS 156 Cb 1.08 -1.19 0.03 0.00 -1.84 0.00 0.00 35.03 33.11 1jg4 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jg4 s ALA 157 N -1.14 2.73 0.56 7.82 0.00 -0.65 -4.61 121.76 126.47 1jg4 s ALA 157 Ca 0.15 0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 1jg4 s ALA 157 Cb 0.09 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1jg4 s ALA 157 CO 0.09 -1.04 0.92 -1.25 0.00 0.00 0.00 175.76 174.48 1jg4 s PRO 158 N -4.71 3.51 0.10 0.00 0.04 -1.26 -5.04 135.00 127.63 1jg4 s PRO 158 Ca 0.60 0.45 0.07 0.00 0.04 0.00 0.00 61.00 62.16 1jg4 s PRO 158 Cb -0.14 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1jg4 s PRO 158 CO 0.48 -0.43 -0.09 0.71 0.04 0.00 0.00 177.00 177.71 1jg4 s TYR 159 N -2.98 2.77 0.11 0.56 1.51 0.70 -4.76 117.35 115.26 1jg4 s TYR 159 Ca 0.52 -0.14 -0.11 0.00 -1.01 0.00 0.00 57.07 56.33 1jg4 s TYR 159 Cb -0.11 -1.45 -0.13 0.00 -0.11 0.00 0.00 41.96 40.16 1jg4 s TYR 159 CO 0.49 0.43 1.31 -0.44 -1.11 0.00 0.00 175.55 176.24 1jg4 h ASP 160 N 3.61 0.89 -3.93 2.29 5.19 -1.20 0.33 116.42 123.60 1jg4 h ASP 160 Ca -0.49 -0.59 -0.17 0.00 -0.62 0.00 0.00 57.03 55.16 1jg4 h ASP 160 Cb 1.17 -0.26 -0.25 0.00 0.18 0.00 0.00 39.33 40.16 1jg4 h ASP 160 CO 0.53 1.39 -0.48 -0.69 -3.12 0.00 0.00 179.24 176.87 1jg4 s VAL 161 N -3.70 0.01 -0.15 -1.35 1.01 -1.24 -1.58 120.40 113.39 1jg4 s VAL 161 Ca -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1jg4 s VAL 161 Cb 0.09 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.19 1jg4 s VAL 161 CO 0.90 -0.04 -0.17 -0.63 0.00 0.00 0.00 175.10 175.16 1jg4 s ILE 162 N -0.06 1.75 -0.28 2.22 1.01 -0.50 -2.11 121.20 123.23 1jg4 s ILE 162 Ca -0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1jg4 s ILE 162 Cb -0.02 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1jg4 s ILE 162 CO 0.00 0.49 0.02 -0.63 0.00 0.00 0.00 174.94 174.82 1jg4 s ILE 163 N 1.31 3.44 -0.22 2.92 1.01 -0.17 -0.89 121.20 128.60 1jg4 s ILE 163 Ca 0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1jg4 s ILE 163 Cb -0.13 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1jg4 s ILE 163 CO -0.10 0.08 0.10 -0.69 0.00 0.00 0.00 174.94 174.34 1jg4 s VAL 164 N 1.40 4.87 -0.30 2.92 1.01 0.16 -0.51 120.40 129.94 1jg4 s VAL 164 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1jg4 s VAL 164 Cb -0.17 -3.24 0.56 0.00 0.00 0.00 0.00 36.38 33.52 1jg4 s VAL 164 CO -0.00 0.39 1.57 0.35 0.00 0.00 0.00 175.10 177.40 1jg4 n THR 165 N 4.14 2.66 -3.89 3.92 -2.24 -0.08 -4.35 114.28 114.45 1jg4 n THR 165 Ca -0.16 -2.37 -0.11 0.00 -2.27 0.00 0.00 64.05 59.14 1jg4 n THR 165 Cb 0.52 -0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 68.29 1jg4 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jg4 s ALA 166 N -3.17 -0.14 0.13 6.98 0.00 -1.26 -4.60 121.76 119.70 1jg4 s ALA 166 Ca 0.47 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1jg4 s ALA 166 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 1jg4 s ALA 166 CO 0.04 -0.11 1.03 0.20 0.00 0.00 0.00 175.76 176.92 1jg4 s GLY 167 N -0.69 2.90 0.17 0.00 0.00 1.00 -4.37 107.32 106.33 1jg4 s GLY 167 Ca -0.08 0.68 0.08 0.00 0.00 0.00 0.00 44.72 45.41 1jg4 s GLY 167 CO 0.00 1.58 -0.06 0.00 0.00 0.00 0.00 173.10 174.62 1jg4 s ALA 168 N 0.00 3.04 -0.10 3.20 0.00 -0.11 0.32 121.76 128.13 1jg4 s ALA 168 Ca 0.49 -1.40 0.28 0.00 0.00 0.00 0.00 51.96 51.33 1jg4 s ALA 168 Cb -0.26 -0.86 0.91 0.00 0.00 0.00 0.00 23.12 22.91 1jg4 s ALA 168 CO 0.32 0.50 1.82 -1.00 0.00 0.00 0.00 175.76 177.39 1jg4 h PRO 169 N 2.94 0.00 -2.66 0.00 0.13 -1.87 -0.79 132.00 129.75 1jg4 h PRO 169 Ca -0.47 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1jg4 h PRO 169 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1jg4 h PRO 169 CO 0.55 0.04 0.40 -1.59 -0.23 0.00 0.00 178.00 177.17 1jg4 s LYS 170 N -3.48 1.56 -0.18 0.86 -2.85 -1.26 -4.48 119.74 109.91 1jg4 s LYS 170 Ca 0.03 -0.92 -0.29 0.00 -1.00 0.00 0.00 55.97 53.79 1jg4 s LYS 170 Cb 0.08 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.33 1jg4 s LYS 170 CO 0.61 -0.72 1.25 0.42 0.10 0.00 0.00 175.35 177.00 1jg4 s ILE 171 N -3.07 4.30 0.01 3.79 1.01 -1.26 -4.97 121.20 121.01 1jg4 s ILE 171 Ca 0.14 1.56 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 1jg4 s ILE 171 Cb -0.03 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1jg4 s ILE 171 CO 0.06 -0.17 1.70 -2.84 0.00 0.00 0.00 174.94 173.68 1jg4 s PRO 172 N 3.55 4.18 0.29 2.79 0.02 -1.26 -4.91 135.00 139.66 1jg4 s PRO 172 Ca 0.54 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1jg4 s PRO 172 Cb -0.21 -3.84 0.51 0.00 0.02 0.00 0.00 34.50 30.98 1jg4 s PRO 172 CO 0.15 -0.81 1.89 1.49 -0.33 0.00 0.00 177.00 179.39 1jg4 h GLU 173 N 9.16 1.03 -0.47 5.54 4.57 -1.91 -2.08 114.58 130.41 1jg4 h GLU 173 Ca -0.42 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1jg4 h GLU 173 Cb 1.20 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 1jg4 h GLU 173 CO 0.94 0.68 0.31 -1.35 -1.18 0.00 0.00 179.01 178.42 1jg4 h PRO 174 N 1.06 0.53 -0.22 0.92 0.11 -1.91 -0.91 132.00 131.58 1jg4 h PRO 174 Ca 0.42 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.36 1jg4 h PRO 174 Cb 0.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1jg4 h PRO 174 CO -0.17 0.35 -0.41 -0.07 -0.21 0.00 0.00 178.00 177.49 1jg4 h LEU 175 N 0.54 0.56 -0.33 2.35 3.38 -1.62 -1.66 115.31 118.53 1jg4 h LEU 175 Ca 0.19 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1jg4 h LEU 175 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jg4 h LEU 175 CO -0.05 0.91 -0.30 0.40 0.09 0.00 0.00 178.44 179.49 1jg4 h ILE 176 N 0.43 1.29 -0.16 1.22 1.08 -1.24 -3.04 117.51 117.08 1jg4 h ILE 176 Ca 0.04 -1.46 -0.03 0.00 -0.39 0.00 0.00 64.86 63.01 1jg4 h ILE 176 Cb 0.91 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.12 1jg4 h ILE 176 CO 0.08 0.48 -0.04 -0.33 -0.69 0.00 0.00 178.15 177.65 1jg4 h GLU 177 N 0.57 0.24 -0.11 2.37 5.08 -1.02 -2.48 114.58 119.24 1jg4 h GLU 177 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jg4 h GLU 177 Cb 0.88 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1jg4 h GLU 177 CO 0.08 0.30 0.00 1.04 -1.00 0.00 0.00 179.01 179.43 1jg4 n GLN 178 N -4.36 1.42 -3.15 2.33 6.02 -0.64 -4.87 117.38 114.14 1jg4 n GLN 178 Ca -0.01 -0.64 -0.37 0.00 -0.01 0.00 0.00 57.00 55.98 1jg4 n GLN 178 Cb 0.20 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 1jg4 n GLN 178 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jg4 s LEU 179 N -1.51 4.41 0.73 1.08 1.43 -0.94 -0.22 118.68 123.66 1jg4 s LEU 179 Ca 0.29 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 1jg4 s LEU 179 Cb 0.15 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 43.01 1jg4 s LEU 179 CO 0.23 0.11 1.07 -0.54 0.23 0.00 0.00 176.35 177.45 1jg4 s LYS 180 N -1.71 2.64 0.15 1.70 1.02 0.10 -4.72 119.74 118.92 1jg4 s LYS 180 Ca 0.39 1.05 -0.31 0.00 0.02 0.00 0.00 55.97 57.11 1jg4 s LYS 180 Cb -0.18 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 1jg4 s LYS 180 CO 0.21 -1.33 1.55 0.42 -0.92 0.00 0.00 175.35 175.28 1jg4 s ILE 181 N -2.98 2.74 0.00 2.17 1.01 -1.26 -0.40 121.20 122.48 1jg4 s ILE 181 Ca 0.59 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1jg4 s ILE 181 Cb -0.15 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1jg4 s ILE 181 CO 0.55 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1jg4 n GLY 182 N 3.74 1.06 3.90 6.18 0.00 0.22 -5.03 105.19 115.26 1jg4 n GLY 182 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1jg4 n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg4 s GLY 183 N -1.72 1.65 0.02 -0.02 0.00 0.47 -4.78 107.32 102.94 1jg4 s GLY 183 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1jg4 s GLY 183 CO 0.00 -0.24 -0.04 -1.59 0.00 0.00 0.00 173.10 171.24 1jg4 s LYS 184 N -5.66 0.33 -0.15 2.90 -2.85 -0.62 -1.63 119.74 112.07 1jg4 s LYS 184 Ca 0.66 -0.60 -0.00 0.00 -1.00 0.00 0.00 55.97 55.03 1jg4 s LYS 184 Cb -0.09 0.03 -0.01 0.00 -2.06 0.00 0.00 37.83 35.71 1jg4 s LYS 184 CO 0.51 -0.03 -0.13 -1.17 0.10 0.00 0.00 175.35 174.62 1jg4 s LEU 185 N -1.38 2.63 -0.21 2.77 2.96 0.10 -1.40 118.68 124.15 1jg4 s LEU 185 Ca -0.14 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1jg4 s LEU 185 Cb -0.09 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1jg4 s LEU 185 CO -0.01 0.12 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.46 1jg4 s ILE 186 N 0.61 3.32 -0.17 6.68 1.01 -0.07 0.13 121.20 132.71 1jg4 s ILE 186 Ca -0.08 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 1jg4 s ILE 186 Cb -0.16 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.88 1jg4 s ILE 186 CO 0.03 0.44 0.62 -0.51 0.00 0.00 0.00 174.94 175.52 1jg4 s ILE 187 N 1.35 0.00 -0.02 2.92 2.07 -0.39 -0.67 121.20 126.46 1jg4 s ILE 187 Ca 0.04 -0.04 -0.23 0.00 -1.41 0.00 0.00 60.65 59.01 1jg4 s ILE 187 Cb -0.14 -0.89 -0.05 0.00 0.13 0.00 0.00 42.46 41.51 1jg4 s ILE 187 CO -0.03 -0.02 0.69 -2.84 -1.91 0.00 0.00 174.94 170.83 1jg4 s PRO 188 N -0.24 4.43 -0.06 3.50 0.02 -1.26 -0.46 135.00 140.92 1jg4 s PRO 188 Ca -0.04 0.89 0.02 0.00 0.02 0.00 0.00 61.00 61.89 1jg4 s PRO 188 Cb -0.03 -3.40 0.02 0.00 0.02 0.00 0.00 34.50 31.10 1jg4 s PRO 188 CO 0.04 0.19 -0.10 0.08 -0.33 0.00 0.00 177.00 176.88 1jg4 s VAL 189 N 0.34 0.95 -0.27 3.83 1.01 -0.02 -0.93 120.40 125.32 1jg4 s VAL 189 Ca 0.36 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1jg4 s VAL 189 Cb -0.19 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1jg4 s VAL 189 CO 0.19 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1jg4 n GLY 190 N 3.91 -0.60 3.85 4.51 0.00 -0.30 -0.58 105.19 115.98 1jg4 n GLY 190 Ca -0.23 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1jg4 n GLY 190 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jg4 s SER 191 N -4.00 3.94 0.12 1.61 0.01 -0.88 -4.12 113.70 110.38 1jg4 s SER 191 Ca 0.00 0.83 -0.26 0.00 1.31 0.00 0.00 55.95 57.83 1jg4 s SER 191 Cb 0.00 -1.34 -0.07 0.00 0.21 0.00 0.00 66.02 64.82 1jg4 s SER 191 CO 0.00 -2.27 1.45 0.22 0.41 0.00 0.00 173.24 173.05 1jg4 h TYR 192 N -1.31 -1.52 0.00 2.43 3.20 -1.93 -3.32 116.97 114.52 1jg4 h TYR 192 Ca -0.48 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1jg4 h TYR 192 Cb 1.33 0.75 0.00 0.00 1.54 0.00 0.00 36.73 40.35 1jg4 h TYR 192 CO 0.19 -0.34 -0.24 1.58 -1.64 0.00 0.00 178.16 177.71 1jg4 n HIS 193 N -4.88 0.00 -3.89 -3.82 -0.00 -1.26 -3.51 115.22 97.86 1jg4 n HIS 193 Ca 0.00 -0.19 -0.08 0.00 0.46 0.00 0.00 57.72 57.92 1jg4 n HIS 193 Cb 0.24 -0.05 -0.03 0.00 -0.12 0.00 0.00 29.99 30.03 1jg4 n HIS 193 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1jg4 s LEU 194 N -0.50 -0.09 -1.21 0.27 2.96 -1.25 -4.61 118.68 114.25 1jg4 s LEU 194 Ca 0.05 -0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 53.10 1jg4 s LEU 194 Cb 0.04 2.49 -0.01 0.00 0.50 0.00 0.00 46.19 49.21 1jg4 s LEU 194 CO 0.00 -1.32 0.72 0.79 -1.32 0.00 0.00 176.35 175.22 1jg4 n TRP 195 N -0.45 -1.91 -4.27 5.38 8.01 -1.26 -2.76 117.44 120.19 1jg4 n TRP 195 Ca -0.04 0.60 -0.29 0.00 -1.31 0.00 0.00 57.50 56.46 1jg4 n TRP 195 Cb 0.60 -3.71 -0.10 0.00 -2.01 0.00 0.00 31.31 26.08 1jg4 n TRP 195 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1jg4 s GLN 196 N -5.96 1.96 -0.10 -0.99 -0.21 -0.97 -2.06 119.66 111.33 1jg4 s GLN 196 Ca 0.31 -1.15 0.01 0.00 0.02 0.00 0.00 55.36 54.55 1jg4 s GLN 196 Cb -0.10 -2.19 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 1jg4 s GLN 196 CO 0.85 0.48 -0.13 -2.00 -2.12 0.00 0.00 175.29 172.36 1jg4 s GLU 197 N -2.33 3.07 -0.35 2.91 2.56 0.26 -0.34 118.70 124.48 1jg4 s GLU 197 Ca 0.21 -0.69 -0.28 0.00 0.00 0.00 0.00 54.97 54.21 1jg4 s GLU 197 Cb -0.10 -2.54 0.02 0.00 2.00 0.00 0.00 34.13 33.50 1jg4 s GLU 197 CO 0.13 0.36 1.04 -1.17 -0.56 0.00 0.00 175.26 175.06 1jg4 s LEU 198 N -0.04 3.92 -0.01 2.70 2.96 0.10 -0.84 118.68 127.46 1jg4 s LEU 198 Ca -0.03 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1jg4 s LEU 198 Cb -0.14 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1jg4 s LEU 198 CO 0.04 -0.91 0.07 -0.76 -1.32 0.00 0.00 176.35 173.47 1jg4 s LEU 199 N 3.67 3.85 -0.25 -0.68 1.43 0.39 -0.03 118.68 127.06 1jg4 s LEU 199 Ca 0.43 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1jg4 s LEU 199 Cb -0.12 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1jg4 s LEU 199 CO 0.18 0.29 -0.07 -0.70 0.23 0.00 0.00 176.35 176.28 1jg4 s GLU 200 N -1.63 2.69 -0.26 1.70 2.12 -0.40 -1.26 118.70 121.66 1jg4 s GLU 200 Ca 0.22 -1.07 -0.03 0.00 0.36 0.00 0.00 54.97 54.45 1jg4 s GLU 200 Cb -0.12 -2.98 0.02 0.00 0.26 0.00 0.00 34.13 31.32 1jg4 s GLU 200 CO 0.12 -0.45 -0.03 0.08 -0.54 0.00 0.00 175.26 174.45 1jg4 s VAL 201 N 1.28 3.13 -0.16 3.70 1.01 0.12 -0.97 120.40 128.51 1jg4 s VAL 201 Ca -0.02 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1jg4 s VAL 201 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1jg4 s VAL 201 CO -0.05 0.15 0.03 -0.13 0.00 0.00 0.00 175.10 175.11 1jg4 s ARG 202 N 1.36 3.79 -0.48 2.72 0.52 0.13 0.03 118.95 127.01 1jg4 s ARG 202 Ca 0.00 -0.39 -0.18 0.00 -0.52 0.00 0.00 55.73 54.64 1jg4 s ARG 202 Cb -0.17 -3.10 0.05 0.00 0.52 0.00 0.00 34.95 32.26 1jg4 s ARG 202 CO -0.03 0.33 0.55 0.21 0.02 0.00 0.00 175.30 176.38 1jg4 s LYS 203 N 0.19 3.09 0.37 3.54 2.20 -0.64 -0.45 119.74 128.05 1jg4 s LYS 203 Ca 0.03 -0.95 0.06 0.00 -0.36 0.00 0.00 55.97 54.75 1jg4 s LYS 203 Cb -0.13 -4.08 -0.07 0.00 -1.51 0.00 0.00 37.83 32.04 1jg4 s LYS 203 CO 0.01 -1.12 0.02 0.95 -0.36 0.00 0.00 175.35 174.86 1jg4 s THR 204 N 2.36 1.70 0.25 3.43 -4.23 -0.74 0.70 115.64 119.09 1jg4 s THR 204 Ca 0.13 -2.01 0.27 0.00 -1.18 0.00 0.00 61.69 58.90 1jg4 s THR 204 Cb -0.20 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.02 1jg4 s THR 204 CO 0.11 -0.01 1.95 0.11 -0.54 0.00 0.00 174.62 176.24 1jg4 h LYS 205 N 1.91 0.00 -0.29 3.99 6.56 -1.98 -0.99 116.57 125.77 1jg4 h LYS 205 Ca -0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 1jg4 h LYS 205 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1jg4 h LYS 205 CO 0.76 0.15 0.00 -0.25 -2.06 0.00 0.00 179.45 178.06 1jg4 n ASP 206 N -3.43 1.47 0.00 0.86 8.00 -1.26 -5.01 116.55 117.18 1jg4 n ASP 206 Ca -0.01 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1jg4 n ASP 206 Cb 0.34 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1jg4 n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jg4 n GLY 207 N 0.88 -2.49 3.66 0.44 0.00 -0.38 -4.95 105.19 102.37 1jg4 n GLY 207 Ca 0.09 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1jg4 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jg4 s ILE 208 N -0.95 4.78 -0.13 -0.61 -1.09 -1.26 -1.80 121.20 120.14 1jg4 s ILE 208 Ca 0.00 1.84 -0.03 0.00 -2.23 0.00 0.00 60.65 60.22 1jg4 s ILE 208 Cb 0.00 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 1jg4 s ILE 208 CO 0.00 -0.07 -0.02 -0.54 -1.23 0.00 0.00 174.94 173.08 1jg4 s LYS 209 N 2.62 3.46 -0.04 2.79 -0.14 0.40 -4.94 119.74 123.89 1jg4 s LYS 209 Ca 0.42 -0.48 0.05 0.00 -1.36 0.00 0.00 55.97 54.60 1jg4 s LYS 209 Cb -0.16 -2.88 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 1jg4 s LYS 209 CO 0.10 0.39 -0.21 0.42 -0.76 0.00 0.00 175.35 175.29 1jg4 s ILE 210 N -0.02 1.67 -0.09 2.17 1.01 -1.26 0.19 121.20 124.87 1jg4 s ILE 210 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1jg4 s ILE 210 Cb -0.13 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.94 1jg4 s ILE 210 CO 0.02 0.47 -0.15 -0.75 0.00 0.00 0.00 174.94 174.54 1jg4 s LYS 211 N -0.18 2.11 0.02 2.79 2.20 -0.14 -4.98 119.74 121.55 1jg4 s LYS 211 Ca -0.00 -0.53 -0.23 0.00 -0.36 0.00 0.00 55.97 54.84 1jg4 s LYS 211 Cb -0.11 -1.77 -0.05 0.00 -1.51 0.00 0.00 37.83 34.39 1jg4 s LYS 211 CO 0.02 -0.02 0.70 -0.80 -0.36 0.00 0.00 175.35 174.88 1jg4 s ASN 212 N 0.86 7.10 -0.04 1.43 0.02 -1.26 -1.28 114.94 121.77 1jg4 s ASN 212 Ca -0.10 1.32 0.09 0.00 -1.02 0.00 0.00 52.86 53.15 1jg4 s ASN 212 Cb -0.15 -2.43 0.25 0.00 0.02 0.00 0.00 41.25 38.94 1jg4 s ASN 212 CO 0.01 0.03 1.19 1.41 0.02 0.00 0.00 177.10 179.76 1jg4 n HIS 213 N 2.89 0.35 0.00 2.20 8.25 0.96 -4.99 115.22 124.87 1jg4 n HIS 213 Ca -0.04 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 1jg4 n HIS 213 Cb 0.51 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1jg4 n HIS 213 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jg4 n GLY 214 N -0.15 2.15 3.76 -1.41 0.00 -1.26 -4.79 105.19 103.50 1jg4 n GLY 214 Ca 0.10 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 1jg4 n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg4 s GLY 215 N 0.00 3.02 0.27 -0.02 0.00 -1.26 -0.73 107.32 108.60 1jg4 s GLY 215 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 44.72 45.48 1jg4 s GLY 215 CO 0.00 1.37 0.35 -1.34 0.00 0.00 0.00 173.10 173.49 1jg4 s VAL 216 N -1.26 0.00 -0.42 1.40 -7.23 0.54 -4.89 120.40 108.54 1jg4 s VAL 216 Ca 0.46 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 1jg4 s VAL 216 Cb -0.29 -2.45 0.26 0.00 0.56 0.00 0.00 36.38 34.46 1jg4 s VAL 216 CO 0.37 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 175.83 1jg4 n ALA 217 N -0.43 1.08 -1.85 1.32 0.00 -1.26 -2.29 120.51 117.07 1jg4 n ALA 217 Ca 0.01 -2.70 -0.30 0.00 0.00 0.00 0.00 53.44 50.45 1jg4 n ALA 217 Cb 0.63 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.13 1jg4 n ALA 217 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1jg4 s PHE 218 N -0.62 3.33 0.78 0.00 0.40 -1.26 -4.84 117.98 115.77 1jg4 s PHE 218 Ca 0.34 1.10 -0.13 0.00 -0.60 0.00 0.00 56.93 57.64 1jg4 s PHE 218 Cb 0.21 -3.02 0.07 0.00 0.51 0.00 0.00 43.02 40.78 1jg4 s PHE 218 CO -0.15 -1.15 1.16 0.14 0.70 0.00 0.00 175.22 175.92 1jg4 s VAL 219 N -3.31 2.53 0.42 -0.44 -7.23 -1.26 -4.36 120.40 106.74 1jg4 s VAL 219 Ca 0.58 0.22 -0.24 0.00 -1.81 0.00 0.00 61.98 60.73 1jg4 s VAL 219 Cb -0.11 -2.61 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1jg4 s VAL 219 CO 0.52 -0.18 1.12 -2.16 -0.31 0.00 0.00 175.10 174.09 1jg4 s PRO 220 N -4.31 4.01 -0.55 4.82 0.04 -1.23 -0.00 135.00 137.77 1jg4 s PRO 220 Ca 0.69 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 63.17 1jg4 s PRO 220 Cb -0.24 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 31.80 1jg4 s PRO 220 CO 0.50 -0.32 0.98 -1.17 0.04 0.00 0.00 177.00 177.03 1jg4 s LEU 221 N -2.71 4.01 -0.29 -3.56 2.96 0.15 -4.62 118.68 114.61 1jg4 s LEU 221 Ca 0.59 -0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 54.08 1jg4 s LEU 221 Cb -0.27 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.51 1jg4 s LEU 221 CO 0.33 -1.26 0.31 -0.63 -1.32 0.00 0.00 176.35 173.77 1jg4 s ILE 222 N 4.09 5.22 -1.94 6.68 1.01 -1.26 0.23 121.20 135.23 1jg4 s ILE 222 Ca 0.32 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1jg4 s ILE 222 Cb -0.12 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1jg4 s ILE 222 CO 0.20 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1jg4 n GLY 223 N 4.88 -1.72 0.34 6.18 0.00 -0.56 -4.83 105.19 109.48 1jg4 n GLY 223 Ca -0.11 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 44.92 1jg4 n GLY 223 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jg4 h GLU 224 N 0.00 0.69 -0.37 1.61 4.81 -1.94 -0.61 114.58 118.77 1jg4 h GLU 224 Ca 0.00 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 1jg4 h GLU 224 Cb 0.00 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.13 1jg4 h GLU 224 CO 0.00 0.45 -0.01 0.66 -0.73 0.00 0.00 179.01 179.39 1jg4 n TYR 225 N -4.81 1.18 0.00 0.92 4.02 -1.26 -4.95 117.16 112.26 1jg4 n TYR 225 Ca 0.21 -1.44 0.00 0.00 -0.01 0.00 0.00 57.90 56.66 1jg4 n TYR 225 Cb 0.52 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1jg4 n TYR 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jg4 n GLY 226 N -0.98 4.72 3.92 2.72 0.00 -0.23 -4.56 105.19 110.78 1jg4 n GLY 226 Ca 0.32 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1jg4 n GLY 226 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jg4 s TRP 227 N 3.37 3.49 -2.47 1.61 0.52 0.14 -4.67 118.94 120.93 1jg4 s TRP 227 Ca 0.00 0.54 0.28 0.00 0.02 0.00 0.00 56.10 56.95 1jg4 s TRP 227 Cb 0.00 -2.04 1.10 0.00 -1.15 0.00 0.00 33.47 31.38 1jg4 s TRP 227 CO 0.00 0.12 1.77 1.63 0.02 0.00 0.00 176.95 180.50