#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j3r n LYS 21 N 0.00 1.72 -4.42 -0.52 5.02 -1.26 -4.96 118.16 113.74 2j3r n LYS 21 Ca 0.00 0.63 -0.26 0.00 -2.02 0.00 0.00 58.31 56.66 2j3r n LYS 21 Cb 0.00 -2.37 -0.11 0.00 -0.02 0.00 0.00 35.03 32.53 2j3r n LYS 21 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2j3r s THR 22 N 2.37 2.56 -0.19 -0.18 2.01 -1.26 -5.12 115.64 115.83 2j3r s THR 22 Ca 0.89 -2.13 -0.00 0.00 0.31 0.00 0.00 61.69 60.76 2j3r s THR 22 Cb -0.83 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 69.41 2j3r s THR 22 CO 0.50 -0.24 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.43 2j3r s GLU 23 N -3.07 3.06 0.13 4.92 2.02 -1.26 -5.12 118.70 119.38 2j3r s GLU 23 Ca 0.25 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.49 2j3r s GLU 23 Cb -0.07 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2j3r s GLU 23 CO 0.13 -0.22 0.08 0.08 0.02 0.00 0.00 175.26 175.34 2j3r s VAL 24 N 1.33 4.31 0.38 2.63 1.01 -1.26 -5.09 120.40 123.72 2j3r s VAL 24 Ca 0.05 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 2j3r s VAL 24 Cb -0.14 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 2j3r s VAL 24 CO -0.10 0.01 1.39 -0.55 0.00 0.00 0.00 175.10 175.85 2j3r s SER 25 N -2.71 6.39 0.66 3.32 0.15 -1.26 -4.84 113.70 115.41 2j3r s SER 25 Ca 0.29 2.86 0.33 0.00 0.70 0.00 0.00 55.95 60.13 2j3r s SER 25 Cb -0.11 -2.66 1.79 0.00 -1.71 0.00 0.00 66.02 63.34 2j3r s SER 25 CO 0.21 -0.82 2.03 1.62 1.20 0.00 0.00 173.24 177.49 2j3r h VAL 26 N 2.81 0.07 -0.04 4.45 3.04 -1.95 -0.62 116.25 124.00 2j3r h VAL 26 Ca -0.50 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.02 2j3r h VAL 26 Cb 1.24 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 2j3r h VAL 26 CO 0.64 0.00 -0.73 0.28 -1.01 0.00 0.00 177.57 176.75 2j3r h SER 27 N 0.00 0.28 -0.23 3.17 0.02 -1.88 -3.00 113.55 111.90 2j3r h SER 27 Ca 0.02 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2j3r h SER 27 Cb 0.54 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 2j3r h SER 27 CO -0.00 0.92 -0.24 0.00 -1.14 0.00 0.00 176.83 176.37 2j3r h ALA 28 N 1.08 -0.13 0.85 3.77 0.00 -1.46 -0.51 119.26 122.85 2j3r h ALA 28 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2j3r h ALA 28 Cb 1.30 0.50 0.01 0.00 0.00 0.00 0.00 17.79 19.59 2j3r h ALA 28 CO 0.11 -0.67 -0.41 0.35 0.00 0.00 0.00 179.25 178.64 2j3r h PHE 29 N -0.25 -1.05 -0.70 0.00 3.57 -1.70 -2.30 116.94 114.50 2j3r h PHE 29 Ca 0.13 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.72 2j3r h PHE 29 Cb 0.45 0.35 -0.12 0.00 2.79 0.00 0.00 35.95 39.42 2j3r h PHE 29 CO -0.39 -0.65 -0.39 0.00 -2.23 0.00 0.00 178.31 174.66 2j3r h ALA 30 N -1.13 -0.09 -0.81 2.41 0.00 -1.37 0.40 119.26 118.67 2j3r h ALA 30 Ca -0.12 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2j3r h ALA 30 Cb 0.88 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 2j3r h ALA 30 CO 0.19 -0.72 0.52 -0.07 0.00 0.00 0.00 179.25 179.18 2j3r h LEU 31 N -0.14 0.89 -0.01 0.00 3.38 -1.14 -0.16 115.31 118.14 2j3r h LEU 31 Ca 0.24 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2j3r h LEU 31 Cb 0.56 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2j3r h LEU 31 CO -0.77 0.63 0.00 0.25 0.09 0.00 0.00 178.44 178.64 2j3r h LEU 32 N 1.05 0.01 -0.67 1.67 6.46 -0.56 -2.73 115.31 120.54 2j3r h LEU 32 Ca 0.31 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2j3r h LEU 32 Cb -0.05 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2j3r h LEU 32 CO -0.09 0.31 0.42 0.15 -0.62 0.00 0.00 178.44 178.61 2j3r h PHE 33 N -0.29 0.86 -0.99 1.25 3.57 -0.14 -1.68 116.94 119.53 2j3r h PHE 33 Ca 0.00 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.61 2j3r h PHE 33 Cb 0.31 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 2j3r h PHE 33 CO 0.03 0.57 0.63 1.03 -2.23 0.00 0.00 178.31 178.34 2j3r h SER 34 N 0.90 0.95 -0.38 0.41 0.87 -1.00 0.10 113.55 115.41 2j3r h SER 34 Ca 0.24 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 2j3r h SER 34 Cb -0.06 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2j3r h SER 34 CO -0.05 0.55 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.30 2j3r h GLU 35 N 1.04 0.79 -0.95 2.24 4.39 -1.11 -2.17 114.58 118.82 2j3r h GLU 35 Ca 0.46 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.85 2j3r h GLU 35 Cb 0.36 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 2j3r h GLU 35 CO -0.22 0.96 0.62 0.52 -1.16 0.00 0.00 179.01 179.74 2j3r h MET 36 N 0.59 1.19 -0.26 2.33 2.86 -0.38 0.43 114.93 121.69 2j3r h MET 36 Ca 0.09 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2j3r h MET 36 Cb 0.72 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2j3r h MET 36 CO 0.05 0.79 0.17 0.28 1.06 0.00 0.00 176.91 179.26 2j3r h VAL 37 N 1.23 1.08 -0.58 -2.22 2.07 -0.69 -0.75 116.25 116.38 2j3r h VAL 37 Ca 0.37 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 2j3r h VAL 37 Cb -0.05 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2j3r h VAL 37 CO -0.11 0.07 0.20 1.56 0.02 0.00 0.00 177.57 179.31 2j3r h GLN 38 N 0.34 0.85 0.51 1.57 4.20 -0.68 0.00 115.11 121.90 2j3r h GLN 38 Ca 0.09 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2j3r h GLN 38 Cb -0.02 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 2j3r h GLN 38 CO -0.02 0.72 -0.29 -0.92 -0.67 0.00 0.00 178.83 177.66 2j3r h TYR 39 N 0.83 -0.76 -0.97 2.96 3.20 0.30 -1.44 116.97 121.10 2j3r h TYR 39 Ca 0.19 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 2j3r h TYR 39 Cb 0.22 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 2j3r h TYR 39 CO 0.01 -0.45 0.62 0.00 -1.64 0.00 0.00 178.16 176.70 2j3r h GLN 41 N 1.14 0.00 0.00 0.00 -0.00 -0.77 -2.60 115.11 112.88 2j3r h GLN 41 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.06 2j3r h GLN 41 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.62 2j3r h GLN 41 CO -0.16 0.11 0.00 0.66 0.00 0.00 0.00 178.83 179.44 2j3r h SER 42 N 0.00 0.00 -0.10 -0.69 4.64 -0.23 -3.25 113.55 113.92 2j3r h SER 42 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2j3r h SER 42 Cb 0.34 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.29 2j3r h SER 42 CO 0.01 0.00 -0.67 -2.11 -0.87 0.00 0.00 176.83 173.19 2j3r n ARG 43 N -2.63 1.50 -4.19 4.77 1.85 -0.99 -5.05 116.66 111.91 2j3r n ARG 43 Ca 0.04 -3.14 -0.12 0.00 -1.00 0.00 0.00 57.85 53.62 2j3r n ARG 43 Cb 0.40 -1.36 -0.10 0.00 -1.05 0.00 0.00 32.46 30.35 2j3r n ARG 43 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2j3r s VAL 44 N -2.74 0.85 -0.19 8.89 0.11 -1.15 -5.07 120.40 121.09 2j3r s VAL 44 Ca 0.38 -1.92 0.14 0.00 -2.93 0.00 0.00 61.98 57.65 2j3r s VAL 44 Cb 0.38 -1.67 -0.24 0.00 -1.53 0.00 0.00 36.38 33.32 2j3r s VAL 44 CO -0.08 -0.79 0.11 -1.22 -3.33 0.00 0.00 175.10 169.79 2j3r n TYR 45 N 0.01 0.17 -4.15 1.54 4.02 -1.26 -4.97 117.16 112.52 2j3r n TYR 45 Ca -0.12 0.05 -0.10 0.00 -0.01 0.00 0.00 57.90 57.72 2j3r n TYR 45 Cb 0.60 -1.03 -0.10 0.00 -0.02 0.00 0.00 39.34 38.79 2j3r n TYR 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2j3r s SER 46 N -5.77 0.83 0.30 7.72 0.15 -1.26 -5.04 113.70 110.62 2j3r s SER 46 Ca -0.13 -1.06 -0.00 0.00 0.70 0.00 0.00 55.95 55.46 2j3r s SER 46 Cb 0.07 0.16 0.45 0.00 -1.71 0.00 0.00 66.02 64.99 2j3r s SER 46 CO 0.79 -0.56 1.87 0.58 1.20 0.00 0.00 173.24 177.12 2j3r h VAL 47 N 2.97 1.21 -0.87 4.45 2.07 -1.99 -1.32 116.25 122.77 2j3r h VAL 47 Ca -0.35 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 66.55 2j3r h VAL 47 Cb 1.17 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 2j3r h VAL 47 CO 0.64 0.27 0.53 -1.28 0.02 0.00 0.00 177.57 177.75 2j3r h SER 48 N 0.81 0.80 0.32 0.57 0.87 -2.00 -0.88 113.55 114.04 2j3r h SER 48 Ca 0.19 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.64 2j3r h SER 48 Cb 0.21 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2j3r h SER 48 CO -0.01 0.48 -0.58 -0.33 -0.53 0.00 0.00 176.83 175.85 2j3r h GLU 49 N 0.91 0.27 -0.01 2.24 5.08 -1.79 -2.69 114.58 118.59 2j3r h GLU 49 Ca 0.40 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2j3r h GLU 49 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2j3r h GLU 49 CO -0.22 0.77 -0.02 1.25 -1.00 0.00 0.00 179.01 179.80 2j3r h LEU 50 N 0.20 -0.06 -1.34 1.33 5.85 -0.20 -1.51 115.31 119.58 2j3r h LEU 50 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2j3r h LEU 50 Cb 1.08 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2j3r h LEU 50 CO 0.09 -0.03 0.24 1.56 -0.34 0.00 0.00 178.44 179.96 2j3r h GLN 51 N -0.03 0.69 -0.66 1.25 4.20 -1.19 -1.07 115.11 118.30 2j3r h GLN 51 Ca 0.01 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 2j3r h GLN 51 Cb 0.05 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2j3r h GLN 51 CO -0.03 0.53 0.09 0.00 -0.67 0.00 0.00 178.83 178.76 2j3r h ALA 52 N 1.57 0.88 -0.44 3.87 0.00 -1.12 0.14 119.26 124.17 2j3r h ALA 52 Ca 0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2j3r h ALA 52 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2j3r h ALA 52 CO -0.02 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2j3r h ARG 53 N 1.03 0.78 -0.53 0.00 3.08 -0.73 -0.94 114.38 117.07 2j3r h ARG 53 Ca 0.20 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2j3r h ARG 53 Cb 0.46 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2j3r h ARG 53 CO 0.02 0.86 0.30 -0.07 -1.07 0.00 0.00 179.97 180.01 2j3r h LEU 54 N 0.62 0.65 -1.69 3.04 3.38 -0.95 -1.08 115.31 119.28 2j3r h LEU 54 Ca 0.12 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2j3r h LEU 54 Cb 0.51 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2j3r h LEU 54 CO 0.03 0.54 0.22 0.00 0.09 0.00 0.00 178.44 179.32 2j3r h ALA 55 N 1.14 1.80 -0.02 1.53 0.00 -0.58 -1.29 119.26 121.85 2j3r h ALA 55 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2j3r h ALA 55 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2j3r h ALA 55 CO -0.03 0.17 0.01 -0.44 0.00 0.00 0.00 179.25 178.95 2j3r h ASP 56 N 0.42 0.03 -0.87 0.00 3.32 0.01 -0.93 116.42 118.40 2j3r h ASP 56 Ca 0.13 -0.21 0.09 0.00 0.02 0.00 0.00 57.03 57.06 2j3r h ASP 56 Cb 0.01 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2j3r h ASP 56 CO -0.03 0.23 0.57 0.24 -1.72 0.00 0.00 179.24 178.52 2j3r h MET 57 N -0.17 0.86 -0.12 3.56 2.86 -0.59 -1.93 114.93 119.40 2j3r h MET 57 Ca 0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2j3r h MET 57 Cb 0.21 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2j3r h MET 57 CO -0.00 0.57 0.03 0.78 1.06 0.00 0.00 176.91 179.35 2j3r h GLY 58 N 0.88 0.21 2.00 8.32 0.00 -0.96 -2.88 103.07 110.64 2j3r h GLY 58 Ca 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2j3r h GLY 58 CO -0.16 0.12 -0.02 1.46 0.00 0.00 0.00 176.54 177.94 2j3r h GLN 59 N -0.01 0.00 -0.19 4.80 4.20 -0.66 -2.15 115.11 121.10 2j3r h GLN 59 Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2j3r h GLN 59 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2j3r h GLN 59 CO 0.00 0.02 0.10 0.78 -0.67 0.00 0.00 178.83 179.05 2j3r h GLY 60 N 0.06 0.27 -0.66 3.46 0.00 -1.13 -3.12 103.07 101.95 2j3r h GLY 60 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2j3r h GLY 60 CO 0.00 0.11 -0.04 3.33 0.00 0.00 0.00 176.54 179.94 2j3r n VAL 61 N -4.48 0.00 -0.17 4.60 0.24 -0.96 -4.67 118.33 112.89 2j3r n VAL 61 Ca -0.00 -0.48 -0.02 0.00 -2.04 0.00 0.00 64.34 61.80 2j3r n VAL 61 Cb 0.10 1.17 0.08 0.00 -1.47 0.00 0.00 33.84 33.72 2j3r n VAL 61 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2j3r h GLY 62 N 1.81 0.71 0.68 7.63 0.00 -1.33 -2.33 103.07 110.23 2j3r h GLY 62 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.30 2j3r h GLY 62 CO 0.00 -0.02 0.43 0.00 0.00 0.00 0.00 176.54 176.96 2j3r h ALA 63 N 1.37 1.01 -0.87 3.60 0.00 -1.81 -1.03 119.26 121.54 2j3r h ALA 63 Ca 0.26 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2j3r h ALA 63 Cb 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2j3r h ALA 63 CO -0.28 0.13 0.55 0.77 0.00 0.00 0.00 179.25 180.42 2j3r h SER 64 N 0.79 0.88 0.39 0.00 0.02 -1.74 -1.14 113.55 112.75 2j3r h SER 64 Ca 0.33 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2j3r h SER 64 Cb 0.19 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2j3r h SER 64 CO -0.18 0.58 -0.44 0.25 -1.14 0.00 0.00 176.83 175.90 2j3r h LEU 65 N 1.02 0.07 -0.25 5.07 5.85 -1.16 -2.09 115.31 123.82 2j3r h LEU 65 Ca 0.37 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2j3r h LEU 65 Cb 0.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2j3r h LEU 65 CO -0.15 0.50 -0.01 0.25 -0.34 0.00 0.00 178.44 178.68 2j3r h LEU 66 N 0.05 0.44 -0.48 2.25 6.46 -0.07 -2.24 115.31 121.73 2j3r h LEU 66 Ca 0.00 -0.32 -0.12 0.00 -0.12 0.00 0.00 57.88 57.32 2j3r h LEU 66 Cb 0.80 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2j3r h LEU 66 CO 0.06 0.66 -0.16 0.44 -0.62 0.00 0.00 178.44 178.81 2j3r h ASP 67 N 0.22 0.97 -0.31 1.25 3.32 -1.16 -2.06 116.42 118.66 2j3r h ASP 67 Ca 0.07 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 2j3r h ASP 67 Cb 0.44 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2j3r h ASP 67 CO 0.02 1.13 -0.09 0.58 -1.72 0.00 0.00 179.24 179.15 2j3r h VAL 68 N 0.80 1.25 -0.05 -1.35 2.07 -1.38 -2.15 116.25 115.44 2j3r h VAL 68 Ca 0.11 -1.11 -0.22 0.00 0.82 0.00 0.00 66.70 66.30 2j3r h VAL 68 Cb 0.73 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2j3r h VAL 68 CO 0.06 0.38 -0.88 -0.07 0.02 0.00 0.00 177.57 177.08 2j3r h LEU 69 N 0.66 0.68 0.21 2.57 3.38 -1.36 -2.43 115.31 119.02 2j3r h LEU 69 Ca 0.12 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2j3r h LEU 69 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2j3r h LEU 69 CO 0.03 1.28 -0.10 0.58 0.09 0.00 0.00 178.44 180.32 2j3r h VAL 70 N 0.34 0.86 0.00 1.22 2.07 -1.31 0.51 116.25 119.95 2j3r h VAL 70 Ca -0.07 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 2j3r h VAL 70 Cb 1.50 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2j3r h VAL 70 CO 0.16 0.10 -0.22 0.24 0.02 0.00 0.00 177.57 177.87 2j3r h MET 71 N -0.51 0.00 0.02 1.57 2.86 -1.50 0.64 114.93 118.01 2j3r h MET 71 Ca -0.03 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.27 2j3r h MET 71 Cb 0.38 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 2j3r h MET 71 CO 0.05 0.22 -2.04 -2.13 1.06 0.00 0.00 176.91 174.07 2j3r n ARG 72 N -3.85 0.67 0.00 1.72 0.63 -0.92 -4.42 116.66 110.50 2j3r n ARG 72 Ca -0.02 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2j3r n ARG 72 Cb 0.31 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.56 2j3r n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2j3r n GLU 73 N -3.03 1.94 -0.84 -0.14 1.02 0.18 -4.77 120.64 115.00 2j3r n GLU 73 Ca -0.27 -0.25 0.05 0.00 -0.02 0.00 0.00 57.16 56.67 2j3r n GLU 73 Cb 1.08 -0.72 0.12 0.00 -0.02 0.00 0.00 31.44 31.90 2j3r n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2j3r n LYS 74 N -0.35 0.89 -1.14 3.49 4.76 0.13 -4.98 118.16 120.96 2j3r n LYS 74 Ca 0.00 -2.60 -0.08 0.00 -2.87 0.00 0.00 58.31 52.75 2j3r n LYS 74 Cb 0.02 -0.97 -0.04 0.00 -1.84 0.00 0.00 35.03 32.20 2j3r n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2j3r n ASN 75 N -0.52 -2.86 0.00 4.39 4.13 -1.14 -0.85 115.26 118.41 2j3r n ASN 75 Ca 0.13 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.59 2j3r n ASN 75 Cb 0.84 -2.57 0.00 0.00 -1.54 0.00 0.00 39.78 36.51 2j3r n ASN 75 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2j3r n GLY 76 N -0.04 0.61 3.33 7.41 0.00 -0.65 -4.96 105.19 110.89 2j3r n GLY 76 Ca -0.08 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 2j3r n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j3r s LYS 77 N -0.93 3.00 0.86 1.61 0.00 -0.03 -4.90 119.74 119.35 2j3r s LYS 77 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 55.97 54.93 2j3r s LYS 77 Cb 0.00 -3.39 0.11 0.00 0.00 0.00 0.00 37.83 34.55 2j3r s LYS 77 CO 0.00 -0.49 1.10 1.03 0.00 0.00 0.00 175.35 176.99 2j3r s ARG 78 N 1.48 1.55 0.11 1.78 0.52 -1.26 -4.93 118.95 118.21 2j3r s ARG 78 Ca 0.02 0.65 -0.07 0.00 -0.52 0.00 0.00 55.73 55.81 2j3r s ARG 78 Cb -0.18 -1.86 -0.06 0.00 0.52 0.00 0.00 34.95 33.38 2j3r s ARG 78 CO 0.03 -1.99 0.38 -1.21 0.02 0.00 0.00 175.30 172.53 2j3r s GLU 79 N -5.08 3.68 -0.00 3.54 0.41 -1.26 -4.99 118.70 115.00 2j3r s GLU 79 Ca 0.62 0.04 0.01 0.00 -0.41 0.00 0.00 54.97 55.23 2j3r s GLU 79 Cb -0.16 -2.92 -0.01 0.00 -1.78 0.00 0.00 34.13 29.26 2j3r s GLU 79 CO 0.55 0.52 0.02 0.25 -0.49 0.00 0.00 175.26 176.11 2j3r n THR 80 N 0.52 0.00 -4.09 3.63 -2.24 -1.26 -4.87 114.28 105.97 2j3r n THR 80 Ca -0.05 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 2j3r n THR 80 Cb 0.52 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 69.44 2j3r n THR 80 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2j3r s LYS 81 N -1.54 2.99 0.09 -0.78 -0.14 -1.26 -5.05 119.74 114.06 2j3r s LYS 81 Ca 0.00 -0.57 -0.25 0.00 -1.36 0.00 0.00 55.97 53.80 2j3r s LYS 81 Cb 0.01 -2.80 -0.13 0.00 -1.68 0.00 0.00 37.83 33.22 2j3r s LYS 81 CO 0.03 0.61 1.71 0.28 -0.76 0.00 0.00 175.35 177.22 2j3r h VAL 82 N 2.96 0.82 -0.90 3.17 2.07 -2.00 -2.54 116.25 119.83 2j3r h VAL 82 Ca -0.48 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.11 2j3r h VAL 82 Cb 1.17 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 2j3r h VAL 82 CO 0.64 0.00 0.56 0.25 0.02 0.00 0.00 177.57 179.04 2j3r h LEU 83 N -0.19 0.86 -0.65 2.57 6.46 -1.99 -1.57 115.31 120.80 2j3r h LEU 83 Ca -0.00 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.69 2j3r h LEU 83 Cb 0.17 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 2j3r h LEU 83 CO -0.01 0.53 0.00 0.78 -0.62 0.00 0.00 178.44 179.12 2j3r h ASN 84 N 0.99 1.03 -0.09 1.25 -0.26 -1.96 -1.83 115.58 114.71 2j3r h ASN 84 Ca 0.40 -0.29 -0.19 0.00 -0.56 0.00 0.00 56.30 55.66 2j3r h ASN 84 Cb 0.24 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2j3r h ASN 84 CO -0.20 1.08 -0.64 -0.29 -1.06 0.00 0.00 177.43 176.32 2j3r h ILE 85 N 0.96 1.30 -0.68 2.81 6.09 -1.18 -2.10 117.51 124.71 2j3r h ILE 85 Ca 0.17 -1.88 -0.01 0.00 -1.37 0.00 0.00 64.86 61.78 2j3r h ILE 85 Cb 0.55 1.83 -0.03 0.00 0.47 0.00 0.00 36.82 39.64 2j3r h ILE 85 CO 0.03 0.59 0.40 -0.07 -3.07 0.00 0.00 178.15 176.03 2j3r h LEU 86 N 0.52 0.83 -1.30 2.19 3.38 -1.20 -1.93 115.31 117.80 2j3r h LEU 86 Ca -0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2j3r h LEU 86 Cb 1.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2j3r h LEU 86 CO 0.13 0.67 0.04 -0.07 0.09 0.00 0.00 178.44 179.29 2j3r h LEU 87 N 0.93 0.47 -1.27 1.67 3.38 -1.27 -0.85 115.31 118.37 2j3r h LEU 87 Ca 0.24 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2j3r h LEU 87 Cb -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2j3r h LEU 87 CO -0.04 0.51 0.50 0.15 0.09 0.00 0.00 178.44 179.65 2j3r h PHE 88 N 0.49 0.93 0.37 1.13 3.57 -0.66 0.64 116.94 123.42 2j3r h PHE 88 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2j3r h PHE 88 Cb 0.27 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2j3r h PHE 88 CO 0.01 0.56 -0.18 0.82 -2.23 0.00 0.00 178.31 177.29 2j3r h ILE 89 N 0.98 0.45 -0.72 1.41 1.08 -0.60 0.24 117.51 120.35 2j3r h ILE 89 Ca 0.29 -0.65 0.07 0.00 -0.39 0.00 0.00 64.86 64.18 2j3r h ILE 89 Cb -0.04 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 34.34 2j3r h ILE 89 CO -0.07 0.09 0.40 0.50 -0.69 0.00 0.00 178.15 178.38 2j3r h LYS 90 N -0.95 0.69 0.00 2.37 3.64 -0.94 -0.81 116.57 120.58 2j3r h LYS 90 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2j3r h LYS 90 Cb 0.53 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2j3r h LYS 90 CO 0.08 0.46 0.00 0.28 -2.27 0.00 0.00 179.45 178.00 2j3r n VAL 91 N -4.78 0.00 0.11 2.00 0.31 0.19 -1.10 118.33 115.07 2j3r n VAL 91 Ca 0.10 0.10 -0.16 0.00 -0.01 0.00 0.00 64.34 64.37 2j3r n VAL 91 Cb 0.21 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 2j3r n VAL 91 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2j3r h ASN 92 N 0.00 -1.55 -0.25 4.52 2.35 -1.56 -1.24 115.58 117.86 2j3r h ASN 92 Ca 0.00 0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2j3r h ASN 92 Cb 0.00 0.57 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2j3r h ASN 92 CO 0.00 -0.55 0.02 0.58 -1.65 0.00 0.00 177.43 175.83 2j3r h VAL 93 N -0.74 1.24 -0.68 2.81 2.07 -0.56 -2.34 116.25 118.05 2j3r h VAL 93 Ca 0.00 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 2j3r h VAL 93 Cb 0.75 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2j3r h VAL 93 CO -0.29 0.27 0.20 -0.25 0.02 0.00 0.00 177.57 177.52 2j3r h TRP 94 N 0.22 1.09 -0.02 1.57 2.91 -1.14 -2.05 115.95 118.53 2j3r h TRP 94 Ca 0.07 -0.11 -0.00 0.00 1.13 0.00 0.00 58.89 59.98 2j3r h TRP 94 Cb 0.37 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2j3r h TRP 94 CO 0.03 0.87 0.00 0.87 -1.03 0.00 0.00 178.44 179.19 2j3r h LYS 95 N 1.02 0.03 -0.91 2.65 1.57 -0.47 0.04 116.57 120.50 2j3r h LYS 95 Ca 0.22 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.10 2j3r h LYS 95 Cb 0.30 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 2j3r h LYS 95 CO -0.01 0.25 0.59 0.00 -0.57 0.00 0.00 179.45 179.71 2j3r h ALA 96 N 0.77 1.66 0.00 3.86 0.00 -1.32 0.61 119.26 124.85 2j3r h ALA 96 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2j3r h ALA 96 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2j3r h ALA 96 CO 0.00 0.14 -0.45 -0.07 0.00 0.00 0.00 179.25 178.87 2j3r h LEU 97 N 0.86 0.00 -2.98 0.00 3.38 -1.32 -3.41 115.31 111.84 2j3r h LEU 97 Ca 0.44 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2j3r h LEU 97 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2j3r h LEU 97 CO -0.20 1.17 0.00 0.49 0.09 0.00 0.00 178.44 179.99 2j3r n PHE 98 N -4.55 0.58 -0.76 1.13 3.01 -0.01 -4.97 117.46 111.89 2j3r n PHE 98 Ca -0.18 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.69 2j3r n PHE 98 Cb 0.55 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2j3r n PHE 98 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2j3r n GLY 99 N 0.23 0.39 3.23 1.37 0.00 0.21 -4.93 105.19 105.70 2j3r n GLY 99 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2j3r n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j3r s LYS 100 N -0.67 1.00 0.42 1.61 -2.85 -1.25 -4.94 119.74 113.07 2j3r s LYS 100 Ca 0.00 -1.27 -0.16 0.00 -1.00 0.00 0.00 55.97 53.55 2j3r s LYS 100 Cb 0.00 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 35.99 2j3r s LYS 100 CO 0.00 -0.32 0.86 -2.00 0.10 0.00 0.00 175.35 173.99 2j3r s GLU 101 N -3.99 3.98 0.40 1.78 2.12 -1.26 -1.86 118.70 119.87 2j3r s GLU 101 Ca 0.18 0.80 -0.27 0.00 0.36 0.00 0.00 54.97 56.04 2j3r s GLU 101 Cb 0.05 -2.28 -0.10 0.00 0.26 0.00 0.00 34.13 32.07 2j3r s GLU 101 CO -0.01 -0.06 1.43 0.00 -0.54 0.00 0.00 175.26 176.08 2j3r s ALA 102 N -2.31 3.43 0.21 6.30 0.00 -0.25 -4.91 121.76 124.23 2j3r s ALA 102 Ca 0.56 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.91 2j3r s ALA 102 Cb -0.10 -3.58 0.21 0.00 0.00 0.00 0.00 23.12 19.66 2j3r s ALA 102 CO 0.24 -1.03 1.85 -0.44 0.00 0.00 0.00 175.76 176.38 2j3r h ASP 103 N 2.81 0.75 -4.55 0.00 3.32 -1.92 -3.45 116.42 113.38 2j3r h ASP 103 Ca -0.50 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.41 2j3r h ASP 103 Cb 1.25 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.42 2j3r h ASP 103 CO 0.63 0.51 -0.35 -0.54 -1.72 0.00 0.00 179.24 177.78 2j3r s LYS 104 N -6.11 0.52 -0.15 3.56 1.02 -0.96 -5.01 119.74 112.60 2j3r s LYS 104 Ca -0.13 0.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.86 2j3r s LYS 104 Cb 0.16 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.73 2j3r s LYS 104 CO 0.77 -0.12 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.82 2j3r s LEU 105 N -0.78 1.58 0.06 3.17 0.20 -1.26 -1.72 118.68 119.94 2j3r s LEU 105 Ca -0.09 -0.51 -0.00 0.00 0.69 0.00 0.00 54.13 54.22 2j3r s LEU 105 Cb -0.04 -1.02 -0.04 0.00 -0.43 0.00 0.00 46.19 44.66 2j3r s LEU 105 CO 0.02 -0.11 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.32 2j3r s GLU 106 N 1.58 0.63 -0.11 1.98 2.02 -0.29 -4.98 118.70 119.53 2j3r s GLU 106 Ca 0.03 -1.16 -0.04 0.00 0.02 0.00 0.00 54.97 53.83 2j3r s GLU 106 Cb -0.14 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 2j3r s GLU 106 CO -0.09 -0.07 0.04 -1.14 0.02 0.00 0.00 175.26 174.02 2j3r s GLN 107 N -3.51 3.28 0.14 1.61 0.74 -1.26 0.44 119.66 121.10 2j3r s GLN 107 Ca 0.05 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 54.80 2j3r s GLN 107 Cb 0.04 -2.95 -0.09 0.00 1.10 0.00 0.00 33.01 31.11 2j3r s GLN 107 CO -0.07 0.62 1.55 0.00 -0.55 0.00 0.00 175.29 176.84 2j3r s ALA 108 N -0.63 3.73 -0.90 1.58 0.00 -0.01 -4.87 121.76 120.65 2j3r s ALA 108 Ca 0.11 1.30 0.21 0.00 0.00 0.00 0.00 51.96 53.57 2j3r s ALA 108 Cb -0.12 -3.62 0.86 0.00 0.00 0.00 0.00 23.12 20.24 2j3r s ALA 108 CO 0.02 -0.81 1.65 0.09 0.00 0.00 0.00 175.76 176.71 2j3r n ASN 109 N 4.27 0.16 0.03 0.00 3.02 -1.26 -3.40 115.26 118.08 2j3r n ASN 109 Ca 0.14 0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 55.12 2j3r n ASN 109 Cb 0.39 -0.57 -0.13 0.00 -0.61 0.00 0.00 39.78 38.86 2j3r n ASN 109 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2j3r h ASP 110 N 0.00 0.08 -3.18 6.41 5.19 -1.96 -3.47 116.42 119.49 2j3r h ASP 110 Ca 0.00 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.16 2j3r h ASP 110 Cb 0.37 -0.03 -0.27 0.00 0.18 0.00 0.00 39.33 39.59 2j3r h ASP 110 CO 0.00 1.10 -0.33 1.51 -3.12 0.00 0.00 179.24 178.40 2j3r s ASP 111 N -6.51 -0.45 0.00 6.45 1.47 -1.22 -5.03 116.67 111.38 2j3r s ASP 111 Ca -0.04 0.85 0.00 0.00 1.18 0.00 0.00 52.55 54.54 2j3r s ASP 111 Cb 0.08 0.77 0.00 0.00 -0.34 0.00 0.00 42.92 43.43 2j3r s ASP 111 CO 0.83 -0.19 0.43 0.47 0.68 0.00 0.00 175.17 177.38 2j3r n ASP 112 N 4.36 0.00 -0.30 2.11 8.00 -1.26 -2.25 116.55 127.21 2j3r n ASP 112 Ca -0.22 0.01 0.03 0.00 0.71 0.00 0.00 54.79 55.31 2j3r n ASP 112 Cb 0.54 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.69 2j3r n ASP 112 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2j3r n LYS 113 N -0.93 1.62 -5.21 -1.24 4.76 -1.26 -5.01 118.16 110.89 2j3r n LYS 113 Ca 0.00 -1.40 -0.32 0.00 -2.87 0.00 0.00 58.31 53.73 2j3r n LYS 113 Cb 0.00 -1.13 -0.16 0.00 -1.84 0.00 0.00 35.03 31.90 2j3r n LYS 113 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2j3r s THR 114 N -0.79 2.17 0.10 -0.18 2.01 -0.96 -1.36 115.64 116.64 2j3r s THR 114 Ca 0.10 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.12 2j3r s THR 114 Cb 0.06 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2j3r s THR 114 CO 0.08 0.57 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.17 2j3r s TYR 115 N -0.05 1.06 0.00 4.92 1.51 0.36 -0.83 117.35 124.32 2j3r s TYR 115 Ca -0.07 -0.71 0.04 0.00 -1.01 0.00 0.00 57.07 55.32 2j3r s TYR 115 Cb -0.15 -0.58 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 2j3r s TYR 115 CO 0.05 -0.01 -0.13 0.71 -1.11 0.00 0.00 175.55 175.05 2j3r s TYR 116 N -2.78 1.17 -0.45 2.71 1.51 0.17 0.04 117.35 119.72 2j3r s TYR 116 Ca 0.08 -0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2j3r s TYR 116 Cb -0.01 -0.74 0.12 0.00 -0.11 0.00 0.00 41.96 41.23 2j3r s TYR 116 CO -0.01 -0.01 0.25 0.42 -1.11 0.00 0.00 175.55 175.09 2j3r s ILE 117 N -0.45 3.36 -0.27 2.71 -1.09 -0.74 -1.14 121.20 123.57 2j3r s ILE 117 Ca 0.04 -2.22 -0.12 0.00 -2.23 0.00 0.00 60.65 56.12 2j3r s ILE 117 Cb -0.06 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 2j3r s ILE 117 CO -0.00 -0.73 0.22 -0.63 -1.23 0.00 0.00 174.94 172.57 2j3r s ILE 118 N 0.92 5.29 -0.17 2.92 1.01 -0.70 -1.49 121.20 128.98 2j3r s ILE 118 Ca 0.10 0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 2j3r s ILE 118 Cb -0.22 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2j3r s ILE 118 CO -0.04 0.24 0.06 -1.61 0.00 0.00 0.00 174.94 173.59 2j3r s GLU 119 N 1.75 3.89 0.33 2.79 0.41 -0.24 -2.28 118.70 125.36 2j3r s GLU 119 Ca 0.08 -0.34 0.04 0.00 -0.41 0.00 0.00 54.97 54.34 2j3r s GLU 119 Cb -0.16 -3.18 0.57 0.00 -1.78 0.00 0.00 34.13 29.58 2j3r s GLU 119 CO 0.10 0.32 1.85 -0.22 -0.49 0.00 0.00 175.26 176.82 2j3r h LYS 120 N 6.52 0.53 -6.06 1.61 3.64 -1.85 -0.78 116.57 120.19 2j3r h LYS 120 Ca -0.38 -0.12 -0.54 0.00 -1.27 0.00 0.00 60.65 58.33 2j3r h LYS 120 Cb 1.17 -0.07 -0.20 0.00 -0.41 0.00 0.00 32.23 32.72 2j3r h LYS 120 CO 0.69 0.58 -0.81 -1.21 -2.27 0.00 0.00 179.45 176.43 2j3r s GLU 121 N -4.91 1.19 0.42 1.90 0.41 -1.26 -4.63 118.70 111.83 2j3r s GLU 121 Ca -0.08 -1.27 -0.26 0.00 -0.41 0.00 0.00 54.97 52.95 2j3r s GLU 121 Cb 0.15 -1.36 -0.09 0.00 -1.78 0.00 0.00 34.13 31.05 2j3r s GLU 121 CO 0.77 0.30 1.46 -1.25 -0.49 0.00 0.00 175.26 176.05 2j3r s PRO 122 N -2.32 3.86 0.34 0.39 0.04 -1.26 -4.69 135.00 131.36 2j3r s PRO 122 Ca 0.11 2.50 0.09 0.00 0.04 0.00 0.00 61.00 63.74 2j3r s PRO 122 Cb -0.08 -2.79 0.82 0.00 0.04 0.00 0.00 34.50 32.49 2j3r s PRO 122 CO 0.05 -0.71 1.83 -0.07 0.04 0.00 0.00 177.00 178.14 2j3r h LEU 123 N 2.61 0.68 -1.43 -3.56 3.38 -1.95 -2.30 115.31 112.73 2j3r h LEU 123 Ca -0.51 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2j3r h LEU 123 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2j3r h LEU 123 CO 0.62 0.29 -0.06 -0.29 0.09 0.00 0.00 178.44 179.10 2j3r h ILE 124 N 0.69 1.16 -0.01 1.22 6.09 -1.95 -3.24 117.51 121.47 2j3r h ILE 124 Ca 0.51 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 2j3r h ILE 124 Cb 0.87 1.08 -0.00 0.00 0.47 0.00 0.00 36.82 39.24 2j3r h ILE 124 CO -0.27 0.22 0.24 0.78 -3.07 0.00 0.00 178.15 176.04 2j3r h ASN 125 N 0.29 0.00 0.62 2.19 2.35 -1.78 -0.93 115.58 118.32 2j3r h ASN 125 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2j3r h ASN 125 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2j3r h ASN 125 CO 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 177.43 175.78 2j3r n ALA 126 N -1.96 2.50 0.17 -0.83 0.00 -1.22 -3.58 120.51 115.58 2j3r n ALA 126 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.31 2j3r n ALA 126 Cb 0.30 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.34 2j3r n ALA 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2j3r n TYR 127 N -1.30 0.14 -4.62 0.00 4.02 -0.35 -4.99 117.16 110.06 2j3r n TYR 127 Ca 0.13 -0.19 -0.23 0.00 -0.01 0.00 0.00 57.90 57.60 2j3r n TYR 127 Cb 0.26 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.41 2j3r n TYR 127 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2j3r s ILE 128 N -0.82 1.10 0.16 -0.72 -4.36 -1.24 -4.42 121.20 110.90 2j3r s ILE 128 Ca 0.13 -0.55 -0.28 0.00 -0.26 0.00 0.00 60.65 59.68 2j3r s ILE 128 Cb 0.08 -0.95 -0.02 0.00 1.25 0.00 0.00 42.46 42.83 2j3r s ILE 128 CO 0.11 0.32 1.56 0.28 0.24 0.00 0.00 174.94 177.45 2j3r h SER 129 N 6.16 -1.67 -3.14 4.36 0.02 -1.94 -3.39 113.55 113.94 2j3r h SER 129 Ca -0.33 0.25 -0.65 0.00 -0.84 0.00 0.00 61.79 60.22 2j3r h SER 129 Cb 1.17 0.73 -0.35 0.00 0.14 0.00 0.00 62.40 64.10 2j3r h SER 129 CO 0.48 -0.35 -0.86 -0.69 -1.14 0.00 0.00 176.83 174.28 2j3r s VAL 130 N -5.75 1.93 0.40 2.27 1.01 -1.26 -5.11 120.40 113.89 2j3r s VAL 130 Ca -0.14 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 2j3r s VAL 130 Cb 0.12 -1.73 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 2j3r s VAL 130 CO 0.64 0.52 0.87 -2.65 0.00 0.00 0.00 175.10 174.49 2j3r n PRO 131 N 4.39 1.09 -2.22 2.72 -0.02 -1.26 -4.90 135.00 134.80 2j3r n PRO 131 Ca -0.20 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.28 2j3r n PRO 131 Cb 0.51 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 2j3r n PRO 131 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2j3r s LYS 132 N -1.83 4.19 0.20 -0.52 0.00 -1.26 -4.92 119.74 115.60 2j3r s LYS 132 Ca 0.63 2.00 -0.15 0.00 0.00 0.00 0.00 55.97 58.44 2j3r s LYS 132 Cb -0.60 -2.86 0.19 0.00 0.00 0.00 0.00 37.83 34.56 2j3r s LYS 132 CO 0.57 -0.25 1.63 0.93 0.00 0.00 0.00 175.35 178.23 2j3r h GLU 133 N 3.00 -0.03 -5.27 1.78 5.08 -2.08 -3.38 114.58 113.67 2j3r h GLU 133 Ca -0.49 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.25 2j3r h GLU 133 Cb 1.23 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 2j3r h GLU 133 CO 0.64 -0.02 -0.59 -0.80 -1.00 0.00 0.00 179.01 177.24 2j3r s ASN 134 N -5.21 5.41 0.47 1.42 0.01 -1.26 -5.10 114.94 110.68 2j3r s ASN 134 Ca -0.14 0.02 -0.08 0.00 -0.71 0.00 0.00 52.86 51.94 2j3r s ASN 134 Cb 0.18 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.87 2j3r s ASN 134 CO 0.72 0.16 0.81 -0.55 -1.51 0.00 0.00 177.10 176.74 2j3r s SER 135 N 0.43 6.37 0.29 -1.22 0.15 -1.26 -5.10 113.70 113.35 2j3r s SER 135 Ca 0.01 1.08 0.04 0.00 0.70 0.00 0.00 55.95 57.79 2j3r s SER 135 Cb -0.13 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 2j3r s SER 135 CO 0.01 -0.55 0.24 0.42 1.20 0.00 0.00 173.24 174.56 2j3r s THR 136 N -2.65 0.00 -0.19 6.45 -4.23 -1.26 -5.07 115.64 108.68 2j3r s THR 136 Ca 0.50 -1.99 0.13 0.00 -1.18 0.00 0.00 61.69 59.16 2j3r s THR 136 Cb -0.10 -2.50 0.39 0.00 1.34 0.00 0.00 72.50 71.63 2j3r s THR 136 CO 0.40 0.00 1.22 0.18 -0.54 0.00 0.00 174.62 175.88 2j3r n LEU 137 N -0.51 2.72 -0.08 4.79 4.77 -1.26 -4.80 117.00 122.64 2j3r n LEU 137 Ca 0.06 -3.65 -0.11 0.00 -0.03 0.00 0.00 56.01 52.27 2j3r n LEU 137 Cb 0.63 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2j3r n LEU 137 CO 0.32 1.19 0.75 0.78 -1.33 0.00 0.00 177.39 179.10 2j3r h ASN 138 N 0.74 0.40 0.13 -1.43 2.35 -1.98 0.10 115.58 115.88 2j3r h ASN 138 Ca 0.01 -0.32 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 2j3r h ASN 138 Cb 1.05 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 2j3r h ASN 138 CO 0.03 0.62 -0.37 0.00 -1.65 0.00 0.00 177.43 176.06 2j3r h ALA 140 N 1.32 0.63 0.16 0.00 0.00 -1.87 -1.32 119.26 118.18 2j3r h ALA 140 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2j3r h ALA 140 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2j3r h ALA 140 CO 0.06 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.89 2j3r h ALA 141 N 0.83 -0.21 -0.25 0.00 0.00 -0.62 0.93 119.26 119.94 2j3r h ALA 141 Ca 0.09 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2j3r h ALA 141 Cb 0.85 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2j3r h ALA 141 CO 0.08 -0.57 -0.24 0.35 0.00 0.00 0.00 179.25 178.86 2j3r h PHE 142 N -0.29 -0.65 -0.90 0.00 3.57 -1.37 -1.20 116.94 116.10 2j3r h PHE 142 Ca -0.02 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2j3r h PHE 142 Cb 0.23 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 2j3r h PHE 142 CO -0.04 -0.32 0.59 1.15 -2.23 0.00 0.00 178.31 177.46 2j3r h THR 143 N -0.25 1.16 -0.26 4.41 2.02 -1.17 -1.85 112.91 116.98 2j3r h THR 143 Ca 0.14 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 2j3r h THR 143 Cb 0.46 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2j3r h THR 143 CO -0.40 0.21 -0.09 1.23 0.37 0.00 0.00 175.52 176.84 2j3r h GLY 144 N 1.14 0.45 1.29 2.16 0.00 0.02 -0.00 103.07 108.12 2j3r h GLY 144 Ca 0.35 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 2j3r h GLY 144 CO -0.10 0.26 -0.31 -1.33 0.00 0.00 0.00 176.54 175.06 2j3r h GLY 145 N 0.84 0.87 0.83 4.60 0.00 -0.44 -0.34 103.07 109.43 2j3r h GLY 145 Ca 0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 2j3r h GLY 145 CO 0.02 0.74 0.02 -2.22 0.00 0.00 0.00 176.54 175.10 2j3r h ILE 146 N 0.67 1.15 -0.30 2.60 2.04 -0.83 -0.97 117.51 121.88 2j3r h ILE 146 Ca 0.07 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2j3r h ILE 146 Cb 0.85 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2j3r h ILE 146 CO 0.07 0.12 0.20 0.58 0.00 0.00 0.00 178.15 179.13 2j3r h VAL 147 N -0.10 1.06 -0.23 1.67 2.07 -0.96 -1.14 116.25 118.62 2j3r h VAL 147 Ca 0.02 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 2j3r h VAL 147 Cb 0.18 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2j3r h VAL 147 CO -0.00 0.07 -0.43 -0.08 0.02 0.00 0.00 177.57 177.15 2j3r h GLU 148 N 0.37 0.70 -0.77 1.57 4.81 -0.65 -1.65 114.58 118.96 2j3r h GLU 148 Ca 0.11 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 2j3r h GLU 148 Cb -0.00 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2j3r h GLU 148 CO -0.02 1.06 0.29 0.00 -0.73 0.00 0.00 179.01 179.60 2j3r h ALA 149 N 0.63 1.00 -0.55 2.92 0.00 -0.79 -1.26 119.26 121.21 2j3r h ALA 149 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2j3r h ALA 149 Cb 1.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2j3r h ALA 149 CO 0.10 0.64 0.36 0.82 0.00 0.00 0.00 179.25 181.17 2j3r h ILE 150 N 1.12 1.13 -0.03 0.00 2.04 -1.13 -0.51 117.51 120.13 2j3r h ILE 150 Ca 0.25 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2j3r h ILE 150 Cb 0.24 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2j3r h ILE 150 CO -0.02 0.13 -0.03 -0.07 0.00 0.00 0.00 178.15 178.16 2j3r h LEU 151 N 0.73 0.08 -0.39 1.44 3.38 -1.08 -2.90 115.31 116.56 2j3r h LEU 151 Ca 0.20 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2j3r h LEU 151 Cb -0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2j3r h LEU 151 CO -0.05 0.55 0.09 0.71 0.09 0.00 0.00 178.44 179.83 2j3r h THR 152 N -0.38 1.23 0.00 0.22 1.35 -1.25 -0.64 112.91 113.44 2j3r h THR 152 Ca 0.01 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2j3r h THR 152 Cb 0.53 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2j3r h THR 152 CO 0.01 0.27 0.00 1.41 -0.25 0.00 0.00 175.52 176.96 2j3r n HIS 153 N -4.56 0.00 0.91 4.73 8.25 -0.20 -1.05 115.22 123.29 2j3r n HIS 153 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 2j3r n HIS 153 Cb 0.21 -0.41 0.08 0.00 1.12 0.00 0.00 29.99 30.99 2j3r n HIS 153 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2j3r n SER 154 N -1.41 2.74 0.00 0.41 7.64 -1.01 -4.96 113.62 117.03 2j3r n SER 154 Ca 0.03 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.05 2j3r n SER 154 Cb 0.10 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2j3r n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j3r n GLY 155 N 1.23 0.85 3.15 0.23 0.00 -0.21 -4.82 105.19 105.62 2j3r n GLY 155 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2j3r n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j3r s PHE 156 N -2.00 3.50 0.04 1.61 0.40 -0.28 -5.00 117.98 116.25 2j3r s PHE 156 Ca 0.00 -2.53 -0.34 0.00 -0.60 0.00 0.00 56.93 53.46 2j3r s PHE 156 Cb 0.00 -3.36 -0.13 0.00 0.51 0.00 0.00 43.02 40.05 2j3r s PHE 156 CO 0.00 -0.88 1.74 -0.35 0.70 0.00 0.00 175.22 176.43 2j3r n PRO 157 N 3.61 2.21 -4.06 0.24 -0.04 -1.26 -3.45 135.00 132.25 2j3r n PRO 157 Ca 0.09 0.80 -0.11 0.00 -0.04 0.00 0.00 63.50 64.24 2j3r n PRO 157 Cb 0.40 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.18 2j3r n PRO 157 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j3r s ALA 158 N 2.59 0.31 -0.11 0.55 0.00 -1.26 -1.66 121.76 122.18 2j3r s ALA 158 Ca 0.86 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2j3r s ALA 158 Cb -0.67 1.15 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2j3r s ALA 158 CO 0.45 -0.79 -0.13 0.15 0.00 0.00 0.00 175.76 175.44 2j3r s LYS 159 N -3.76 2.01 -0.15 0.00 1.02 0.33 -4.94 119.74 114.25 2j3r s LYS 159 Ca 0.28 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 2j3r s LYS 159 Cb 0.01 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 2j3r s LYS 159 CO 0.13 -0.11 -0.11 0.08 -0.92 0.00 0.00 175.35 174.42 2j3r s VAL 160 N 1.13 3.15 0.29 3.17 1.01 -1.26 -1.18 120.40 126.71 2j3r s VAL 160 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2j3r s VAL 160 Cb -0.14 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 2j3r s VAL 160 CO -0.03 0.51 0.02 0.42 0.00 0.00 0.00 175.10 176.02 2j3r s THR 161 N 0.53 1.21 0.03 3.92 -4.23 -0.28 -4.90 115.64 111.93 2j3r s THR 161 Ca -0.07 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.45 2j3r s THR 161 Cb -0.15 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 2j3r s THR 161 CO 0.04 -0.14 -0.15 0.68 -0.54 0.00 0.00 174.62 174.51 2j3r s VAL 162 N -3.29 1.18 0.19 2.29 -7.23 -1.26 0.25 120.40 112.53 2j3r s VAL 162 Ca 0.33 -0.97 -0.23 0.00 -1.81 0.00 0.00 61.98 59.29 2j3r s VAL 162 Cb 0.07 -1.05 0.06 0.00 0.56 0.00 0.00 36.38 36.02 2j3r s VAL 162 CO 0.13 0.07 0.94 -1.38 -0.31 0.00 0.00 175.10 174.54 2j3r s HIS 163 N -0.78 -0.08 -0.21 2.82 -3.43 -0.63 -4.99 115.29 107.99 2j3r s HIS 163 Ca 0.03 -0.28 -0.13 0.00 -0.80 0.00 0.00 55.06 53.88 2j3r s HIS 163 Cb -0.08 0.67 -0.05 0.00 -1.43 0.00 0.00 32.58 31.70 2j3r s HIS 163 CO 0.01 -0.94 0.25 -1.58 -2.00 0.00 0.00 174.74 170.48 2j3r s TRP 164 N -3.11 3.38 -0.30 0.38 0.51 -1.26 -0.14 118.94 118.40 2j3r s TRP 164 Ca 0.14 0.43 -0.15 0.00 -2.12 0.00 0.00 56.10 54.39 2j3r s TRP 164 Cb -0.02 -2.33 0.18 0.00 -0.81 0.00 0.00 33.47 30.48 2j3r s TRP 164 CO 0.04 0.12 1.15 -1.58 -0.51 0.00 0.00 176.95 176.18 2j3r s HIS 165 N 0.87 -0.20 -0.93 -1.98 2.46 -1.26 -4.93 115.29 109.33 2j3r s HIS 165 Ca 0.13 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.81 2j3r s HIS 165 Cb -0.13 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.37 2j3r s HIS 165 CO 0.04 -0.12 0.00 1.63 -2.47 0.00 0.00 174.74 173.82 2j3r n LYS 166 N 5.22 -0.81 0.00 2.88 5.02 -1.26 -4.68 118.16 124.54 2j3r n LYS 166 Ca 0.03 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2j3r n LYS 166 Cb 0.57 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.96 2j3r n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j3r n GLY 167 N -1.14 -0.46 3.70 0.72 0.00 -1.26 -4.65 105.19 102.10 2j3r n GLY 167 Ca -0.12 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 2j3r n GLY 167 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j3r s THR 168 N 0.00 4.99 -0.09 2.61 -4.23 -0.30 -4.46 115.64 114.17 2j3r s THR 168 Ca 0.00 1.50 0.01 0.00 -1.18 0.00 0.00 61.69 62.02 2j3r s THR 168 Cb 0.00 -4.07 -0.02 0.00 1.34 0.00 0.00 72.50 69.75 2j3r s THR 168 CO 0.00 0.18 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.26 2j3r s THR 169 N 1.26 3.35 -0.41 3.99 2.01 0.80 -1.07 115.64 125.55 2j3r s THR 169 Ca 0.38 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 2j3r s THR 169 Cb -0.17 -2.37 0.04 0.00 0.01 0.00 0.00 72.50 70.01 2j3r s THR 169 CO 0.16 0.57 0.29 -0.76 -0.69 0.00 0.00 174.62 174.19 2j3r s LEU 170 N -0.38 5.10 -0.13 4.42 1.43 -0.56 -1.60 118.68 126.96 2j3r s LEU 170 Ca 0.05 -1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 2j3r s LEU 170 Cb -0.12 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 2j3r s LEU 170 CO 0.02 -0.48 0.78 -0.32 0.23 0.00 0.00 176.35 176.58 2j3r s MET 171 N 1.60 4.34 -0.28 1.70 -2.45 0.14 -1.80 119.30 122.55 2j3r s MET 171 Ca 0.03 0.96 -0.02 0.00 -1.25 0.00 0.00 55.69 55.41 2j3r s MET 171 Cb -0.21 -3.53 0.04 0.00 1.25 0.00 0.00 34.83 32.38 2j3r s MET 171 CO 0.07 -0.19 -0.02 0.42 1.05 0.00 0.00 175.02 176.36 2j3r s ILE 172 N 1.67 3.00 -0.27 10.11 1.01 0.11 -1.13 121.20 135.70 2j3r s ILE 172 Ca 0.38 -1.22 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 2j3r s ILE 172 Cb -0.17 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.68 2j3r s ILE 172 CO 0.15 0.01 -0.02 -0.75 0.00 0.00 0.00 174.94 174.32 2j3r s LYS 173 N 1.29 2.83 0.19 2.79 2.20 -0.32 -0.49 119.74 128.22 2j3r s LYS 173 Ca -0.03 -1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 54.30 2j3r s LYS 173 Cb -0.19 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 2j3r s LYS 173 CO -0.02 -0.44 0.89 -0.06 -0.36 0.00 0.00 175.35 175.36 2j3r s PHE 174 N 1.35 3.93 0.24 4.03 0.40 -0.47 -0.52 117.98 126.94 2j3r s PHE 174 Ca -0.00 1.81 -0.30 0.00 -0.60 0.00 0.00 56.93 57.84 2j3r s PHE 174 Cb -0.17 -2.93 -0.09 0.00 0.51 0.00 0.00 43.02 40.34 2j3r s PHE 174 CO -0.03 0.42 1.24 -0.51 0.70 0.00 0.00 175.22 177.05 2j3r s ASP 175 N -0.91 6.99 0.00 1.36 -0.00 -0.66 -4.90 116.67 118.54 2j3r s ASP 175 Ca 0.41 2.40 0.14 0.00 -0.00 0.00 0.00 52.55 55.49 2j3r s ASP 175 Cb -0.25 -2.62 0.81 0.00 -0.00 0.00 0.00 42.92 40.87 2j3r s ASP 175 CO 0.30 -0.41 1.24 -1.84 -0.00 0.00 0.00 175.17 174.45