#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjm n GLU 2 N 0.00 0.00 -2.17 0.00 -0.58 -1.26 -5.10 120.64 111.53 1mjm n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1mjm n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1mjm n GLU 2 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1mjm s TRP 3 N -2.00 2.75 0.27 -0.32 -0.00 -1.26 -4.90 118.94 113.48 1mjm s TRP 3 Ca 0.00 0.72 -0.01 0.00 -0.00 0.00 0.00 56.10 56.81 1mjm s TRP 3 Cb 0.00 -3.72 0.48 0.00 -0.00 0.00 0.00 33.47 30.23 1mjm s TRP 3 CO 0.00 -2.72 1.84 0.66 -0.00 0.00 0.00 176.95 176.73 1mjm h SER 4 N 7.98 0.91 0.00 5.86 4.64 -1.97 -3.46 113.55 127.52 1mjm h SER 4 Ca -0.38 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1mjm h SER 4 Cb 1.18 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1mjm h SER 4 CO 0.91 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 178.00 1mjm n GLY 5 N -1.35 0.78 3.55 -0.77 0.00 -1.26 -4.79 105.19 101.35 1mjm n GLY 5 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1mjm n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjm s GLU 6 N -0.45 3.70 0.23 1.61 2.02 -1.26 -4.76 118.70 119.79 1mjm s GLU 6 Ca 0.00 -1.43 -0.31 0.00 0.02 0.00 0.00 54.97 53.25 1mjm s GLU 6 Cb 0.00 -5.36 -0.11 0.00 0.10 0.00 0.00 34.13 28.76 1mjm s GLU 6 CO 0.00 -2.18 1.59 -0.47 0.02 0.00 0.00 175.26 174.22 1mjm s TYR 7 N 4.52 2.92 -0.08 1.61 5.04 -1.26 -5.02 117.35 125.08 1mjm s TYR 7 Ca 0.47 0.68 0.04 0.00 -2.44 0.00 0.00 57.07 55.82 1mjm s TYR 7 Cb 0.01 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1mjm s TYR 7 CO -0.05 -3.54 -0.21 0.42 -1.34 0.00 0.00 175.55 170.83 1mjm s ILE 8 N 0.58 1.80 -0.10 3.14 1.01 -1.26 -4.82 121.20 121.54 1mjm s ILE 8 Ca 0.67 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1mjm s ILE 8 Cb -0.46 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1mjm s ILE 8 CO 0.39 0.50 1.22 -0.55 0.00 0.00 0.00 174.94 176.50 1mjm s SER 9 N 0.33 7.01 0.00 3.58 0.15 -1.26 -4.89 113.70 118.62 1mjm s SER 9 Ca -0.15 1.75 0.10 0.00 0.70 0.00 0.00 55.95 58.36 1mjm s SER 9 Cb -0.17 -2.55 0.36 0.00 -1.71 0.00 0.00 66.02 61.95 1mjm s SER 9 CO 0.07 -0.65 1.27 -0.81 1.20 0.00 0.00 173.24 174.32 1mjm n PRO 10 N 5.77 1.55 -4.56 5.44 -0.04 -1.26 -4.87 135.00 137.03 1mjm n PRO 10 Ca 0.12 -0.85 -0.26 0.00 -0.04 0.00 0.00 63.50 62.46 1mjm n PRO 10 Cb 0.46 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.58 1mjm n PRO 10 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1mjm s TYR 11 N -1.71 2.42 -1.29 0.54 2.02 -1.26 -4.66 117.35 113.41 1mjm s TYR 11 Ca 0.20 -0.53 0.28 0.00 -0.37 0.00 0.00 57.07 56.64 1mjm s TYR 11 Cb 0.10 -1.45 1.01 0.00 -0.40 0.00 0.00 41.96 41.22 1mjm s TYR 11 CO 0.14 0.56 1.74 0.00 -1.57 0.00 0.00 175.55 176.42 1mjm n ALA 12 N -0.82 2.88 -0.69 3.71 0.00 -1.26 -4.90 120.51 119.42 1mjm n ALA 12 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1mjm n ALA 12 Cb 0.64 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1mjm n ALA 12 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mjm n GLU 13 N -1.25 0.00 0.00 0.00 -0.58 -1.26 -3.54 120.64 114.01 1mjm n GLU 13 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1mjm n GLU 13 Cb 0.31 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 1mjm n GLU 13 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1mjm n HIS 14 N 2.92 -0.39 -0.38 -0.32 -0.00 -1.26 -5.10 115.22 110.69 1mjm n HIS 14 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1mjm n HIS 14 Cb 0.30 0.08 -0.06 0.00 -0.00 0.00 0.00 29.99 30.32 1mjm n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mjm n GLY 15 N -1.34 -0.13 0.00 1.57 0.00 -1.23 -4.61 105.19 99.45 1mjm n GLY 15 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mjm n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjm n LYS 16 N 1.41 0.45 0.00 1.61 5.02 -1.26 -4.96 118.16 120.44 1mjm n LYS 16 Ca 0.17 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1mjm n LYS 16 Cb 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 1mjm n LYS 16 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1mjm n LYS 17 N -0.07 0.00 -2.09 1.97 3.00 -1.26 -5.18 118.16 114.53 1mjm n LYS 17 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1mjm n LYS 17 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.04 1mjm n LYS 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1mjm n SER 18 N -0.01 -0.17 -4.63 3.14 7.64 -1.26 -5.17 113.62 113.15 1mjm n SER 18 Ca 0.00 -1.31 -0.35 0.00 1.01 0.00 0.00 58.87 58.22 1mjm n SER 18 Cb 0.00 0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 1mjm n SER 18 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1mjm s GLU 19 N -2.16 3.15 0.00 1.43 8.01 -1.26 -4.50 118.70 123.38 1mjm s GLU 19 Ca 0.05 -0.44 0.00 0.00 0.01 0.00 0.00 54.97 54.59 1mjm s GLU 19 Cb 0.00 -2.82 0.00 0.00 -4.31 0.00 0.00 34.13 27.00 1mjm s GLU 19 CO 0.04 0.58 0.00 0.94 0.01 0.00 0.00 175.26 176.83 1mjm n GLN 20 N 2.50 3.91 -4.15 1.61 7.27 -1.26 -5.07 117.38 122.19 1mjm n GLN 20 Ca -0.18 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.60 1mjm n GLN 20 Cb 0.53 -0.59 -0.08 0.00 2.41 0.00 0.00 30.24 32.51 1mjm n GLN 20 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1mjm s VAL 21 N -1.11 3.94 0.05 1.69 1.01 -1.26 -5.07 120.40 119.65 1mjm s VAL 21 Ca 0.00 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.90 1mjm s VAL 21 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1mjm s VAL 21 CO 0.00 0.02 -0.21 -0.54 0.00 0.00 0.00 175.10 174.36 1mjm s LYS 22 N -2.61 1.40 -0.22 2.72 -0.14 -1.26 -5.13 119.74 114.51 1mjm s LYS 22 Ca 0.27 -0.99 -0.07 0.00 -1.36 0.00 0.00 55.97 53.82 1mjm s LYS 22 Cb -0.11 -1.54 -0.03 0.00 -1.68 0.00 0.00 37.83 34.46 1mjm s LYS 22 CO 0.19 0.39 0.06 0.15 -0.76 0.00 0.00 175.35 175.38 1mjm s LYS 23 N -1.27 3.78 0.09 1.68 1.02 -1.26 -5.10 119.74 118.69 1mjm s LYS 23 Ca 0.08 -0.43 0.10 0.00 0.02 0.00 0.00 55.97 55.74 1mjm s LYS 23 Cb -0.09 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1mjm s LYS 23 CO 0.02 0.02 -0.26 0.96 -0.92 0.00 0.00 175.35 175.17 1mjm s ILE 24 N 1.05 2.12 -0.24 2.17 -4.36 -1.26 -5.10 121.20 115.57 1mjm s ILE 24 Ca 0.04 -1.57 -0.25 0.00 -0.26 0.00 0.00 60.65 58.61 1mjm s ILE 24 Cb -0.14 -1.85 -0.00 0.00 1.25 0.00 0.00 42.46 41.71 1mjm s ILE 24 CO 0.03 0.18 0.85 -0.89 0.24 0.00 0.00 174.94 175.35 1mjm s THR 25 N -0.96 4.81 -0.19 8.37 2.01 -1.26 -5.03 115.64 123.39 1mjm s THR 25 Ca 0.12 1.61 -0.01 0.00 0.31 0.00 0.00 61.69 63.72 1mjm s THR 25 Cb -0.10 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1mjm s THR 25 CO 0.04 -0.09 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.05 1mjm s VAL 26 N 2.90 2.68 -0.18 3.82 1.01 -1.26 -5.09 120.40 124.27 1mjm s VAL 26 Ca 0.36 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1mjm s VAL 26 Cb -0.15 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1mjm s VAL 26 CO 0.07 0.49 0.95 -0.44 0.00 0.00 0.00 175.10 176.18 1mjm s SER 27 N 1.25 7.07 -0.06 3.32 0.01 -1.26 -5.03 113.70 119.00 1mjm s SER 27 Ca 0.03 1.33 0.01 0.00 1.31 0.00 0.00 55.95 58.63 1mjm s SER 27 Cb -0.14 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1mjm s SER 27 CO -0.07 -0.52 -0.06 -0.51 0.41 0.00 0.00 173.24 172.49 1mjm s ILE 28 N 2.54 0.75 0.48 1.44 2.07 -1.26 -5.13 121.20 122.09 1mjm s ILE 28 Ca 0.43 -0.21 -0.24 0.00 -1.41 0.00 0.00 60.65 59.21 1mjm s ILE 28 Cb -0.16 -0.76 -0.07 0.00 0.13 0.00 0.00 42.46 41.60 1mjm s ILE 28 CO 0.11 0.29 1.33 -2.84 -1.91 0.00 0.00 174.94 171.92 1mjm s PRO 29 N 1.10 3.57 0.36 3.50 0.02 -1.26 -4.78 135.00 137.51 1mjm s PRO 29 Ca -0.08 2.18 0.09 0.00 0.02 0.00 0.00 61.00 63.22 1mjm s PRO 29 Cb -0.14 -2.50 0.83 0.00 0.02 0.00 0.00 34.50 32.72 1mjm s PRO 29 CO -0.01 -0.83 1.88 -0.07 -0.33 0.00 0.00 177.00 177.64 1mjm h LEU 30 N 2.05 0.63 -1.44 -5.54 3.38 -2.00 0.43 115.31 112.82 1mjm h LEU 30 Ca -0.50 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1mjm h LEU 30 Cb 1.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1mjm h LEU 30 CO 0.60 0.33 -0.27 0.11 0.09 0.00 0.00 178.44 179.30 1mjm h LYS 31 N 0.67 0.00 0.02 1.13 1.57 -2.00 -1.58 116.57 116.38 1mjm h LYS 31 Ca 0.43 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.17 1mjm h LYS 31 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1mjm h LYS 31 CO -0.19 0.27 -0.16 0.28 -0.57 0.00 0.00 179.45 179.08 1mjm h VAL 32 N 0.00 1.74 -0.51 0.50 2.07 -1.34 -3.29 116.25 115.42 1mjm h VAL 32 Ca -0.00 -2.38 0.15 0.00 0.82 0.00 0.00 66.70 65.28 1mjm h VAL 32 Cb 0.57 3.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1mjm h VAL 32 CO 0.03 0.63 0.39 0.25 0.02 0.00 0.00 177.57 178.89 1mjm h LEU 33 N -0.89 0.00 -0.21 2.57 5.85 -1.04 -0.98 115.31 120.61 1mjm h LEU 33 Ca -0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1mjm h LEU 33 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1mjm h LEU 33 CO 0.02 0.00 -0.04 0.50 -0.34 0.00 0.00 178.44 178.58 1mjm h LYS 34 N 0.00 0.39 -0.21 1.25 1.63 -1.37 -0.61 116.57 117.65 1mjm h LYS 34 Ca 0.24 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.78 1mjm h LYS 34 Cb 1.01 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.61 1mjm h LYS 34 CO -0.00 0.63 -0.35 0.82 -3.45 0.00 0.00 179.45 177.09 1mjm h ILE 35 N 0.12 1.29 -0.04 2.00 2.04 -1.28 -1.54 117.51 120.11 1mjm h ILE 35 Ca 0.05 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 1mjm h ILE 35 Cb 0.48 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1mjm h ILE 35 CO 0.02 0.45 -0.00 0.25 0.00 0.00 0.00 178.15 178.87 1mjm h LEU 36 N 0.38 0.07 -0.92 1.44 5.85 -1.29 -2.73 115.31 118.11 1mjm h LEU 36 Ca 0.04 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1mjm h LEU 36 Cb 0.80 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1mjm h LEU 36 CO 0.06 0.38 0.60 0.74 -0.34 0.00 0.00 178.44 179.89 1mjm h THR 37 N -0.24 1.19 -0.74 1.05 2.02 -1.00 -1.03 112.91 114.15 1mjm h THR 37 Ca 0.01 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1mjm h THR 37 Cb 0.35 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1mjm h THR 37 CO 0.00 0.22 0.27 0.44 0.37 0.00 0.00 175.52 176.82 1mjm h ASP 38 N 1.19 1.04 0.35 4.18 3.32 -1.23 -0.04 116.42 125.23 1mjm h ASP 38 Ca 0.35 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1mjm h ASP 38 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1mjm h ASP 38 CO -0.10 0.93 -0.55 -0.08 -1.72 0.00 0.00 179.24 177.73 1mjm h GLU 39 N 1.09 0.22 -0.39 3.56 4.57 -1.11 0.69 114.58 123.20 1mjm h GLU 39 Ca 0.25 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 1mjm h GLU 39 Cb 0.24 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1mjm h GLU 39 CO -0.02 0.71 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.32 1mjm h ARG 40 N 0.17 0.77 -0.49 1.92 2.43 -0.66 -2.24 114.38 116.27 1mjm h ARG 40 Ca 0.00 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.81 1mjm h ARG 40 Cb 1.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1mjm h ARG 40 CO 0.08 0.91 0.09 1.15 -1.51 0.00 0.00 179.97 180.70 1mjm h THR 41 N 0.57 1.25 -0.97 0.20 2.02 -0.80 -1.87 112.91 113.31 1mjm h THR 41 Ca 0.10 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.43 1mjm h THR 41 Cb 0.64 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 1mjm h THR 41 CO 0.04 0.32 0.63 -0.09 0.37 0.00 0.00 175.52 176.79 1mjm h ARG 42 N 0.69 1.14 -0.51 6.66 2.43 -0.72 0.91 114.38 124.97 1mjm h ARG 42 Ca 0.15 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1mjm h ARG 42 Cb 0.37 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1mjm h ARG 42 CO 0.01 0.76 -0.15 0.00 -1.51 0.00 0.00 179.97 179.07 1mjm h ARG 43 N 1.18 1.00 -0.26 0.20 3.08 -1.11 -2.27 114.38 116.19 1mjm h ARG 43 Ca 0.40 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1mjm h ARG 43 Cb 0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1mjm h ARG 43 CO -0.15 1.07 0.09 0.87 -1.07 0.00 0.00 179.97 180.78 1mjm h LYS 44 N 0.88 0.41 0.00 0.04 1.57 -0.36 0.86 116.57 119.98 1mjm h LYS 44 Ca 0.13 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1mjm h LYS 44 Cb 0.72 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1mjm h LYS 44 CO 0.06 0.47 -0.22 -0.39 -0.57 0.00 0.00 179.45 178.79 1mjm h VAL 45 N 0.27 0.80 -0.52 0.50 -1.51 -0.85 -1.60 116.25 113.33 1mjm h VAL 45 Ca 0.09 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1mjm h VAL 45 Cb 0.23 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1mjm h VAL 45 CO -0.00 0.22 0.00 0.59 -1.23 0.00 0.00 177.57 177.15 1mjm n ASN 46 N -3.75 2.92 -3.81 4.19 3.02 -0.86 -4.95 115.26 112.02 1mjm n ASN 46 Ca -0.01 -1.98 -0.24 0.00 -0.03 0.00 0.00 54.58 52.31 1mjm n ASN 46 Cb 0.33 -0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1mjm n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1mjm n ASN 47 N 1.10 -1.88 -4.82 6.41 5.15 -0.60 -4.99 115.26 115.63 1mjm n ASN 47 Ca 0.18 -0.85 -0.30 0.00 -0.60 0.00 0.00 54.58 53.01 1mjm n ASN 47 Cb 0.47 -3.80 -0.06 0.00 -0.53 0.00 0.00 39.78 35.86 1mjm n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1mjm s LEU 48 N -6.88 3.96 1.04 1.20 1.43 0.20 -4.22 118.68 115.41 1mjm s LEU 48 Ca 0.17 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 1mjm s LEU 48 Cb -0.09 -2.61 0.21 0.00 0.03 0.00 0.00 46.19 43.73 1mjm s LEU 48 CO 0.83 0.16 1.15 -0.13 0.23 0.00 0.00 176.35 178.60 1mjm s ARG 49 N -2.49 0.09 -1.46 1.70 0.52 -0.55 -4.20 118.95 112.56 1mjm s ARG 49 Ca 0.31 0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.47 1mjm s ARG 49 Cb -0.12 -1.74 0.05 0.00 0.52 0.00 0.00 34.95 33.66 1mjm s ARG 49 CO 0.24 -2.86 1.05 0.72 0.02 0.00 0.00 175.30 174.46 1mjm n HIS 50 N -4.19 -2.50 -2.52 -0.53 8.25 -1.26 -4.91 115.22 107.57 1mjm n HIS 50 Ca 0.10 0.95 -0.41 0.00 -0.26 0.00 0.00 57.72 58.10 1mjm n HIS 50 Cb 0.59 -4.40 0.01 0.00 1.12 0.00 0.00 29.99 27.32 1mjm n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mjm n ALA 51 N -4.78 6.15 -2.22 -1.41 0.00 -1.26 -4.60 120.51 112.40 1mjm n ALA 51 Ca 0.01 -4.50 -0.13 0.00 0.00 0.00 0.00 53.44 48.82 1mjm n ALA 51 Cb 0.55 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 1mjm n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mjm s THR 52 N -3.36 0.84 0.15 0.00 -4.23 -1.26 -4.90 115.64 102.87 1mjm s THR 52 Ca 0.42 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.85 1mjm s THR 52 Cb 0.17 -1.88 -0.07 0.00 1.34 0.00 0.00 72.50 72.06 1mjm s THR 52 CO -0.10 -0.70 1.44 0.78 -0.54 0.00 0.00 174.62 175.50 1mjm h ASN 53 N 2.82 0.89 0.08 3.99 4.21 -1.93 -2.97 115.58 122.66 1mjm h ASN 53 Ca -0.36 -0.47 0.02 0.00 1.21 0.00 0.00 56.30 56.70 1mjm h ASN 53 Cb 1.19 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.10 1mjm h ASN 53 CO 0.64 1.24 -0.18 0.28 -1.29 0.00 0.00 177.43 178.12 1mjm h SER 54 N 0.62 -0.52 -0.80 5.81 0.02 -1.97 -1.56 113.55 115.15 1mjm h SER 54 Ca 0.02 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1mjm h SER 54 Cb 1.12 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 1mjm h SER 54 CO 0.11 -0.26 0.34 -0.33 -1.14 0.00 0.00 176.83 175.56 1mjm h GLU 55 N -0.34 1.19 -0.42 3.45 5.08 -1.83 -1.15 114.58 120.55 1mjm h GLU 55 Ca 0.03 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1mjm h GLU 55 Cb 0.37 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1mjm h GLU 55 CO -0.12 0.94 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.72 1mjm h LEU 56 N 1.16 0.69 -0.30 1.33 3.38 -1.37 -0.11 115.31 120.09 1mjm h LEU 56 Ca 0.27 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1mjm h LEU 56 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1mjm h LEU 56 CO -0.03 0.79 -0.15 -0.07 0.09 0.00 0.00 178.44 179.07 1mjm h LEU 57 N 0.66 0.65 -0.47 1.67 3.38 -0.85 -2.36 115.31 117.99 1mjm h LEU 57 Ca 0.13 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1mjm h LEU 57 Cb 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1mjm h LEU 57 CO 0.02 0.92 0.09 0.00 0.09 0.00 0.00 178.44 179.56 1mjm h GLU 59 N 0.64 0.35 -0.83 0.00 5.08 -1.05 -1.90 114.58 116.87 1mjm h GLU 59 Ca 0.14 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1mjm h GLU 59 Cb 0.37 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1mjm h GLU 59 CO 0.01 0.23 0.44 0.00 -1.00 0.00 0.00 179.01 178.69 1mjm h ALA 60 N 1.13 1.07 -0.12 3.43 0.00 -1.21 -0.27 119.26 123.29 1mjm h ALA 60 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mjm h ALA 60 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1mjm h ALA 60 CO -0.05 0.59 -0.00 0.35 0.00 0.00 0.00 179.25 180.14 1mjm h PHE 61 N 1.17 0.24 -0.51 0.00 3.57 -0.89 -0.89 116.94 119.62 1mjm h PHE 61 Ca 0.29 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1mjm h PHE 61 Cb 0.05 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1mjm h PHE 61 CO 0.01 0.47 0.25 -0.07 -2.23 0.00 0.00 178.31 176.74 1mjm h LEU 62 N -0.05 0.64 -0.13 0.59 3.38 -1.23 -0.26 115.31 118.24 1mjm h LEU 62 Ca 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1mjm h LEU 62 Cb 0.37 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1mjm h LEU 62 CO 0.01 0.54 0.00 -0.74 0.09 0.00 0.00 178.44 178.34 1mjm h HIS 63 N 0.72 0.25 -0.07 1.13 2.76 -0.77 0.18 115.15 119.35 1mjm h HIS 63 Ca 0.18 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.16 1mjm h HIS 63 Cb 0.07 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1mjm h HIS 63 CO 0.01 0.46 -0.60 0.00 -1.30 0.00 0.00 177.93 176.50 1mjm h ALA 64 N 0.76 0.84 0.00 5.26 0.00 -0.98 -1.54 119.26 123.60 1mjm h ALA 64 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1mjm h ALA 64 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1mjm h ALA 64 CO 0.01 0.73 -0.93 1.19 0.00 0.00 0.00 179.25 180.25 1mjm n PHE 65 N -3.88 0.00 0.00 0.00 3.01 -0.13 -4.59 117.46 111.88 1mjm n PHE 65 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1mjm n PHE 65 Cb 0.62 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1mjm n PHE 65 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1mjm n THR 66 N -1.49 0.00 -0.79 4.37 -2.24 0.59 -5.01 114.28 109.70 1mjm n THR 66 Ca 0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1mjm n THR 66 Cb 0.28 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1mjm n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mjm n GLY 67 N 1.47 0.84 3.64 3.38 0.00 -0.58 -4.28 105.19 109.67 1mjm n GLY 67 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1mjm n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mjm n GLN 68 N -2.14 2.51 -1.52 1.61 7.27 -1.21 -4.76 117.38 119.14 1mjm n GLN 68 Ca 0.00 0.87 -0.42 0.00 0.07 0.00 0.00 57.00 57.53 1mjm n GLN 68 Cb 0.00 -2.99 0.01 0.00 2.41 0.00 0.00 30.24 29.67 1mjm n GLN 68 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1mjm n PRO 69 N 7.71 0.85 -2.82 3.69 -0.02 -1.26 -3.97 135.00 139.19 1mjm n PRO 69 Ca 0.23 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1mjm n PRO 69 Cb 0.39 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1mjm n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mjm s LEU 70 N 0.80 3.86 0.50 2.45 1.43 -1.26 -4.88 118.68 121.58 1mjm s LEU 70 Ca 0.64 1.36 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 1mjm s LEU 70 Cb -0.59 -4.22 -0.07 0.00 0.03 0.00 0.00 46.19 41.34 1mjm s LEU 70 CO 0.57 -0.38 1.13 -2.16 0.23 0.00 0.00 176.35 175.74 1mjm s PRO 71 N -3.56 3.59 0.49 1.29 0.04 -1.26 -4.94 135.00 130.64 1mjm s PRO 71 Ca 0.55 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 63.19 1mjm s PRO 71 Cb -0.10 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1mjm s PRO 71 CO 0.25 -0.66 0.78 0.34 0.04 0.00 0.00 177.00 177.75 1mjm s ASP 72 N -1.64 6.10 0.32 6.66 2.15 -1.26 -4.96 116.67 124.05 1mjm s ASP 72 Ca 0.68 0.81 0.01 0.00 0.43 0.00 0.00 52.55 54.48 1mjm s ASP 72 Cb -0.25 -2.08 0.55 0.00 -0.30 0.00 0.00 42.92 40.85 1mjm s ASP 72 CO 0.29 -0.66 1.94 0.44 -0.17 0.00 0.00 175.17 177.01 1mjm h ASP 73 N 0.20 0.74 -0.23 -0.34 3.32 -1.99 -0.78 116.42 117.34 1mjm h ASP 73 Ca -0.47 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1mjm h ASP 73 Cb 1.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1mjm h ASP 73 CO 0.61 0.61 0.15 0.00 -1.72 0.00 0.00 179.24 178.89 1mjm h ALA 74 N 1.51 1.83 0.00 3.45 0.00 -1.98 -0.35 119.26 123.72 1mjm h ALA 74 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1mjm h ALA 74 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1mjm h ALA 74 CO -0.03 0.16 -0.28 -0.44 0.00 0.00 0.00 179.25 178.66 1mjm h ASP 75 N 0.31 0.00 0.30 0.00 3.32 -1.52 -3.23 116.42 115.61 1mjm h ASP 75 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1mjm h ASP 75 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1mjm h ASP 75 CO -0.02 0.28 -0.96 0.18 -1.72 0.00 0.00 179.24 177.00 1mjm n LEU 76 N -3.31 0.67 -4.69 1.55 4.77 -0.22 -4.70 117.00 111.07 1mjm n LEU 76 Ca 0.01 -0.15 -0.44 0.00 -0.03 0.00 0.00 56.01 55.40 1mjm n LEU 76 Cb 0.53 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1mjm n LEU 76 CO 0.35 0.12 1.39 0.54 -1.33 0.00 0.00 177.39 178.46 1mjm n ARG 77 N -1.76 2.50 0.28 3.23 3.00 -0.72 -1.49 116.66 121.72 1mjm n ARG 77 Ca 0.03 0.91 0.13 0.00 -0.01 0.00 0.00 57.85 58.91 1mjm n ARG 77 Cb 0.39 -2.75 0.83 0.00 0.00 0.00 0.00 32.46 30.93 1mjm n ARG 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1mjm h LYS 78 N 7.72 0.00 0.00 5.56 1.57 -1.93 -2.21 116.57 127.28 1mjm h LYS 78 Ca -0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1mjm h LYS 78 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1mjm h LYS 78 CO 0.93 0.02 -0.21 0.93 -0.57 0.00 0.00 179.45 180.55 1mjm h GLU 79 N 0.00 0.00 -6.22 3.15 3.07 -1.93 -3.43 114.58 109.22 1mjm h GLU 79 Ca -0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 1mjm h GLU 79 Cb 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1mjm h GLU 79 CO 0.00 0.21 -0.31 1.03 -1.40 0.00 0.00 179.01 178.54 1mjm s ARG 80 N -4.54 3.56 0.72 2.33 1.81 -0.83 -5.09 118.95 116.92 1mjm s ARG 80 Ca -0.04 -0.23 -0.15 0.00 -1.72 0.00 0.00 55.73 53.60 1mjm s ARG 80 Cb 0.15 -2.83 0.04 0.00 -0.45 0.00 0.00 34.95 31.86 1mjm s ARG 80 CO 0.70 0.41 1.18 0.45 -0.68 0.00 0.00 175.30 177.35 1mjm s SER 81 N -2.91 4.34 -0.70 0.23 0.15 -1.26 -4.86 113.70 108.69 1mjm s SER 81 Ca 0.40 2.26 -0.26 0.00 0.70 0.00 0.00 55.95 59.04 1mjm s SER 81 Cb -0.11 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1mjm s SER 81 CO 0.28 -2.16 1.18 -0.62 1.20 0.00 0.00 173.24 173.12 1mjm s ASP 82 N -2.21 6.20 0.35 5.45 2.15 -1.26 -4.98 116.67 122.36 1mjm s ASP 82 Ca 0.72 -0.51 0.06 0.00 0.43 0.00 0.00 52.55 53.24 1mjm s ASP 82 Cb -0.27 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 39.81 1mjm s ASP 82 CO 0.45 -1.69 0.21 -0.62 -0.17 0.00 0.00 175.17 173.35 1mjm n GLU 83 N 8.82 0.48 -1.83 4.34 1.02 -1.26 -5.13 120.64 127.09 1mjm n GLU 83 Ca 0.02 -3.21 -0.41 0.00 -0.02 0.00 0.00 57.16 53.54 1mjm n GLU 83 Cb 0.48 2.20 -0.00 0.00 -0.02 0.00 0.00 31.44 34.09 1mjm n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mjm s ILE 84 N -3.15 2.11 0.58 -3.67 1.01 -1.26 -4.93 121.20 111.89 1mjm s ILE 84 Ca 0.29 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 1mjm s ILE 84 Cb 0.01 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1mjm s ILE 84 CO 0.21 0.02 1.03 -2.65 0.00 0.00 0.00 174.94 173.55 1mjm n PRO 85 N 0.67 1.04 -0.35 2.79 -0.02 -1.26 -4.76 135.00 133.11 1mjm n PRO 85 Ca 0.02 0.40 -0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1mjm n PRO 85 Cb 0.39 -2.22 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1mjm n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mjm h GLU 86 N 0.70 1.28 -0.62 -0.52 4.39 -1.94 -0.04 114.58 117.83 1mjm h GLU 86 Ca -0.48 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.03 1mjm h GLU 86 Cb 1.35 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1mjm h GLU 86 CO 0.52 0.90 0.13 0.00 -1.16 0.00 0.00 179.01 179.40 1mjm h ALA 87 N 1.32 1.05 -0.48 3.43 0.00 -1.92 -1.57 119.26 121.09 1mjm h ALA 87 Ca 0.34 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1mjm h ALA 87 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1mjm h ALA 87 CO -0.06 0.62 -0.20 0.00 0.00 0.00 0.00 179.25 179.60 1mjm h ALA 88 N 1.19 0.74 -0.35 0.00 0.00 -1.74 -2.97 119.26 116.13 1mjm h ALA 88 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1mjm h ALA 88 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1mjm h ALA 88 CO 0.01 0.67 0.23 0.87 0.00 0.00 0.00 179.25 181.02 1mjm h LYS 89 N 0.84 0.46 -0.43 0.00 1.57 -0.53 -1.62 116.57 116.85 1mjm h LYS 89 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1mjm h LYS 89 Cb 0.77 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1mjm h LYS 89 CO 0.06 0.31 0.27 1.49 -0.57 0.00 0.00 179.45 181.02 1mjm h GLU 90 N 0.46 0.58 -0.39 3.15 4.81 -1.25 -1.65 114.58 120.29 1mjm h GLU 90 Ca 0.13 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1mjm h GLU 90 Cb -0.04 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1mjm h GLU 90 CO -0.03 0.41 0.09 0.82 -0.73 0.00 0.00 179.01 179.57 1mjm h ILE 91 N 0.58 1.18 -0.81 2.32 2.04 -1.38 -0.37 117.51 121.07 1mjm h ILE 91 Ca 0.16 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1mjm h ILE 91 Cb -0.03 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1mjm h ILE 91 CO -0.03 0.23 0.46 0.24 0.00 0.00 0.00 178.15 179.06 1mjm h MET 92 N 0.57 1.12 -0.31 2.37 2.86 -0.59 0.11 114.93 121.05 1mjm h MET 92 Ca 0.13 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1mjm h MET 92 Cb 0.23 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1mjm h MET 92 CO -0.00 0.80 -0.24 0.00 1.06 0.00 0.00 176.91 178.52 1mjm h ARG 93 N 1.13 0.72 0.00 1.72 3.08 -0.33 0.50 114.38 121.20 1mjm h ARG 93 Ca 0.29 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1mjm h ARG 93 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1mjm h ARG 93 CO -0.05 0.97 0.00 0.93 -1.07 0.00 0.00 179.97 180.75 1mjm h GLU 94 N 0.48 0.00 -0.61 0.04 5.08 -0.61 -1.94 114.58 117.01 1mjm h GLU 94 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1mjm h GLU 94 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1mjm h GLU 94 CO 0.06 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.74 1mjm n MET 95 N -2.34 3.76 -1.68 2.33 2.81 -0.02 -4.92 117.12 117.06 1mjm n MET 95 Ca 0.01 -2.88 -0.14 0.00 -1.81 0.00 0.00 57.70 52.88 1mjm n MET 95 Cb 0.20 -1.90 -0.04 0.00 -0.71 0.00 0.00 33.22 30.77 1mjm n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mjm n GLY 96 N 0.98 0.94 3.39 3.03 0.00 -0.73 -5.00 105.19 107.81 1mjm n GLY 96 Ca 0.25 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1mjm n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjm s ILE 97 N -2.58 3.06 -0.40 -0.61 1.01 0.17 -5.01 121.20 116.85 1mjm s ILE 97 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 1mjm s ILE 97 Cb 0.00 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1mjm s ILE 97 CO 0.00 0.54 0.62 0.21 0.00 0.00 0.00 174.94 176.31 1mjm s ASN 98 N 0.13 6.35 0.24 3.58 3.04 -1.26 -2.66 114.94 124.36 1mjm s ASN 98 Ca -0.06 -0.14 -0.05 0.00 0.04 0.00 0.00 52.86 52.64 1mjm s ASN 98 Cb -0.15 -2.31 0.35 0.00 -1.54 0.00 0.00 41.25 37.59 1mjm s ASN 98 CO 0.05 -0.68 1.83 -0.65 -3.04 0.00 0.00 177.10 174.61 1mjm h PRO 99 N 8.68 0.85 0.00 0.43 0.11 -1.89 -1.00 132.00 139.18 1mjm h PRO 99 Ca -0.26 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1mjm h PRO 99 Cb 1.10 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1mjm h PRO 99 CO 0.86 0.56 -0.09 0.93 -0.21 0.00 0.00 178.00 180.05 1mjm h GLU 100 N 0.88 0.00 -0.00 1.05 3.07 -1.98 -3.20 114.58 114.39 1mjm h GLU 100 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1mjm h GLU 100 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1mjm h GLU 100 CO -0.20 0.09 -0.06 0.25 -1.40 0.00 0.00 179.01 177.69 1mjm n THR 101 N -3.77 0.00 -1.86 1.13 -2.24 -0.95 -5.03 114.28 101.55 1mjm n THR 101 Ca -0.02 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 1mjm n THR 101 Cb 0.19 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 1mjm n THR 101 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mjm s TRP 102 N -0.70 2.94 -0.25 4.78 -0.11 -0.42 -4.97 118.94 120.22 1mjm s TRP 102 Ca 0.03 0.67 -0.15 0.00 1.22 0.00 0.00 56.10 57.87 1mjm s TRP 102 Cb 0.02 -3.99 -0.04 0.00 -1.50 0.00 0.00 33.47 27.96 1mjm s TRP 102 CO 0.07 -3.53 0.36 -1.21 -4.62 0.00 0.00 176.95 168.01 1mjm s GLU 103 N 0.45 4.07 0.00 5.86 2.02 -1.26 -5.03 118.70 124.82 1mjm s GLU 103 Ca 0.67 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1mjm s GLU 103 Cb -0.46 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1mjm s GLU 103 CO 0.38 -0.17 0.00 2.48 0.02 0.00 0.00 175.26 177.97