#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjg s VAL 35 N 0.00 0.10 0.06 2.52 1.01 -0.92 -4.98 120.40 118.19 3mjg s VAL 35 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 3mjg s VAL 35 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3mjg s VAL 35 CO 0.00 -0.45 0.20 0.42 0.00 0.00 0.00 175.10 175.28 3mjg s THR 36 N -3.90 0.12 -0.36 3.92 -4.23 -1.26 -2.67 115.64 107.26 3mjg s THR 36 Ca 0.10 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 3mjg s THR 36 Cb 0.04 -1.07 0.04 0.00 1.34 0.00 0.00 72.50 72.85 3mjg s THR 36 CO -0.06 -0.54 0.16 -2.16 -0.54 0.00 0.00 174.62 171.48 3mjg s PRO 37 N -3.04 2.66 -0.08 3.99 0.04 -1.23 -4.44 135.00 132.90 3mjg s PRO 37 Ca -0.01 -1.21 0.02 0.00 0.04 0.00 0.00 61.00 59.84 3mjg s PRO 37 Cb 0.01 -3.59 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 3mjg s PRO 37 CO -0.06 -0.73 -0.05 -0.35 0.04 0.00 0.00 177.00 175.85 3mjg n PRO 38 N 4.88 0.82 0.00 0.56 -0.05 -1.26 -4.62 135.00 135.32 3mjg n PRO 38 Ca -0.12 0.03 0.00 0.00 -0.05 0.00 0.00 63.50 63.37 3mjg n PRO 38 Cb 0.45 -1.16 0.00 0.00 -0.05 0.00 0.00 33.50 32.74 3mjg n PRO 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3mjg n GLY 39 N 3.01 1.41 0.10 0.55 0.00 -1.26 -5.05 105.19 103.95 3mjg n GLY 39 Ca -0.13 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 3mjg n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mjg n PRO 40 N 1.68 0.79 -4.83 1.61 -0.02 -1.26 -4.96 135.00 128.00 3mjg n PRO 40 Ca 0.00 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 3mjg n PRO 40 Cb 0.00 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.81 3mjg n PRO 40 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mjg s GLU 41 N -2.48 2.71 -0.03 -0.52 2.12 -1.26 -1.88 118.70 117.35 3mjg s GLU 41 Ca -0.10 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.54 3mjg s GLU 41 Cb 0.06 -2.15 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 3mjg s GLU 41 CO 0.81 0.06 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.85 3mjg s LEU 42 N 0.64 2.29 -0.29 2.70 1.43 0.11 -4.96 118.68 120.60 3mjg s LEU 42 Ca -0.13 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3mjg s LEU 42 Cb -0.16 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.71 3mjg s LEU 42 CO 0.03 0.33 -0.04 -0.69 0.23 0.00 0.00 176.35 176.21 3mjg s VAL 43 N -0.63 2.35 0.23 -1.59 1.01 -1.26 0.47 120.40 120.99 3mjg s VAL 43 Ca 0.10 -1.83 0.06 0.00 0.00 0.00 0.00 61.98 60.31 3mjg s VAL 43 Cb -0.10 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3mjg s VAL 43 CO -0.00 -0.23 0.23 -0.76 0.00 0.00 0.00 175.10 174.34 3mjg s LEU 44 N 1.06 3.95 0.43 3.92 1.43 0.46 -4.96 118.68 124.98 3mjg s LEU 44 Ca -0.02 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3mjg s LEU 44 Cb -0.20 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 43.46 3mjg s LEU 44 CO -0.05 -0.03 0.81 0.20 0.23 0.00 0.00 176.35 177.51 3mjg s ASN 45 N -3.75 6.52 0.50 2.29 -0.87 -1.26 -3.81 114.94 114.56 3mjg s ASN 45 Ca 0.33 1.21 -0.23 0.00 -1.57 0.00 0.00 52.86 52.60 3mjg s ASN 45 Cb -0.09 -2.36 -0.06 0.00 -0.02 0.00 0.00 41.25 38.73 3mjg s ASN 45 CO 0.26 -0.45 1.29 -0.69 -2.57 0.00 0.00 177.10 174.94 3mjg s VAL 46 N -2.45 2.47 0.00 1.60 1.01 -1.26 -3.10 120.40 118.67 3mjg s VAL 46 Ca 0.52 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3mjg s VAL 46 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3mjg s VAL 46 CO 0.33 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.89 3mjg n SER 47 N -0.70 -2.15 -4.20 3.32 3.41 0.70 -4.74 113.62 109.24 3mjg n SER 47 Ca 0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.40 3mjg n SER 47 Cb 0.46 -2.08 0.18 0.00 -0.26 0.00 0.00 64.21 62.50 3mjg n SER 47 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mjg s SER 48 N -1.30 3.26 0.25 4.04 1.04 -1.18 -4.00 113.70 115.82 3mjg s SER 48 Ca 0.00 0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.77 3mjg s SER 48 Cb 0.00 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 3mjg s SER 48 CO 0.00 -2.64 0.02 -0.89 0.98 0.00 0.00 173.24 170.71 3mjg s THR 49 N -3.83 3.61 -0.01 2.02 2.01 -1.26 -2.49 115.64 115.69 3mjg s THR 49 Ca 0.73 -1.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 3mjg s THR 49 Cb -0.04 -2.92 0.08 0.00 0.01 0.00 0.00 72.50 69.63 3mjg s THR 49 CO 0.52 -0.35 0.71 0.12 -0.69 0.00 0.00 174.62 174.94 3mjg s PHE 50 N -2.24 -0.58 -0.06 4.92 5.36 -1.11 -5.01 117.98 119.26 3mjg s PHE 50 Ca 0.31 0.83 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 3mjg s PHE 50 Cb -0.07 0.46 0.01 0.00 -0.34 0.00 0.00 43.02 43.08 3mjg s PHE 50 CO 0.20 -0.63 -0.12 0.08 -1.46 0.00 0.00 175.22 173.29 3mjg s VAL 51 N -1.88 1.13 -0.13 3.12 1.01 -1.26 -1.49 120.40 120.90 3mjg s VAL 51 Ca -0.06 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3mjg s VAL 51 Cb -0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 3mjg s VAL 51 CO 0.03 0.35 -0.18 -0.76 0.00 0.00 0.00 175.10 174.53 3mjg s LEU 52 N 0.62 2.36 0.30 3.92 1.43 -1.20 -4.96 118.68 121.15 3mjg s LEU 52 Ca -0.14 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3mjg s LEU 52 Cb -0.15 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3mjg s LEU 52 CO 0.04 0.13 0.10 -0.89 0.23 0.00 0.00 176.35 175.95 3mjg s THR 53 N 0.54 3.44 -0.30 5.49 2.01 -1.26 -2.85 115.64 122.71 3mjg s THR 53 Ca -0.11 -1.72 -0.11 0.00 0.31 0.00 0.00 61.69 60.05 3mjg s THR 53 Cb -0.16 -3.00 0.18 0.00 0.01 0.00 0.00 72.50 69.52 3mjg s THR 53 CO 0.04 -0.29 0.95 0.00 -0.69 0.00 0.00 174.62 174.64 3mjg s SER 55 N 2.81 3.10 0.20 0.00 1.04 -1.09 -1.81 113.70 117.96 3mjg s SER 55 Ca 0.03 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.41 3mjg s SER 55 Cb -0.10 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.85 3mjg s SER 55 CO -0.14 0.06 0.58 -0.83 0.98 0.00 0.00 173.24 173.89 3mjg s GLY 56 N -2.60 -0.24 0.29 7.32 0.00 0.03 -2.17 107.32 109.95 3mjg s GLY 56 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.88 3mjg s GLY 56 CO 0.08 -0.11 1.82 1.48 0.00 0.00 0.00 173.10 176.37 3mjg h SER 57 N 2.11 0.88 -1.30 1.64 4.64 -1.85 -1.25 113.55 118.43 3mjg h SER 57 Ca -0.28 0.06 -0.47 0.00 -0.47 0.00 0.00 61.79 60.63 3mjg h SER 57 Cb 1.27 -0.11 0.04 0.00 -0.31 0.00 0.00 62.40 63.29 3mjg h SER 57 CO 0.35 0.43 -0.09 0.00 -0.87 0.00 0.00 176.83 176.65 3mjg s ALA 58 N -5.92 4.44 0.63 5.18 0.00 -1.26 -4.18 121.76 120.65 3mjg s ALA 58 Ca -0.12 -1.91 -0.18 0.00 0.00 0.00 0.00 51.96 49.76 3mjg s ALA 58 Cb 0.23 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3mjg s ALA 58 CO 0.81 -0.83 1.00 -2.30 0.00 0.00 0.00 175.76 174.44 3mjg n PRO 59 N -2.26 0.83 -4.04 0.00 -0.02 -1.26 -4.29 135.00 123.95 3mjg n PRO 59 Ca 0.13 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.83 3mjg n PRO 59 Cb 0.61 -2.22 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 3mjg n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3mjg s VAL 60 N -1.55 0.36 -0.03 -1.45 0.11 -1.26 -3.96 120.40 112.61 3mjg s VAL 60 Ca 0.77 -1.13 -0.20 0.00 -2.93 0.00 0.00 61.98 58.48 3mjg s VAL 60 Cb -0.40 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3mjg s VAL 60 CO 0.46 -0.51 0.44 0.68 -3.33 0.00 0.00 175.10 172.84 3mjg s VAL 61 N -1.76 0.04 0.27 2.04 -7.23 -1.25 -4.64 120.40 107.86 3mjg s VAL 61 Ca -0.09 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.80 3mjg s VAL 61 Cb -0.08 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 3mjg s VAL 61 CO -0.01 -0.16 0.44 0.26 -0.31 0.00 0.00 175.10 175.32 3mjg s TRP 62 N -1.22 3.48 -0.26 2.82 0.52 -1.26 -0.63 118.94 122.39 3mjg s TRP 62 Ca -0.12 0.21 -0.02 0.00 0.02 0.00 0.00 56.10 56.19 3mjg s TRP 62 Cb -0.03 -1.76 0.14 0.00 -1.15 0.00 0.00 33.47 30.66 3mjg s TRP 62 CO 0.06 0.30 0.39 -1.83 0.02 0.00 0.00 176.95 175.89 3mjg s GLU 63 N -3.97 0.37 -0.38 4.98 -1.05 -1.15 -4.23 118.70 113.27 3mjg s GLU 63 Ca 0.37 0.44 -0.11 0.00 -0.15 0.00 0.00 54.97 55.52 3mjg s GLU 63 Cb -0.10 -0.42 0.03 0.00 -0.44 0.00 0.00 34.13 33.20 3mjg s GLU 63 CO 0.32 -0.74 0.21 0.50 0.95 0.00 0.00 175.26 176.50 3mjg s ARG 64 N 2.55 2.80 -0.10 -4.83 6.06 -1.16 -3.52 118.95 120.75 3mjg s ARG 64 Ca 0.12 -1.10 -0.01 0.00 -2.50 0.00 0.00 55.73 52.24 3mjg s ARG 64 Cb -0.15 -3.74 0.00 0.00 0.06 0.00 0.00 34.95 31.12 3mjg s ARG 64 CO -0.20 -0.72 0.07 -1.33 -2.50 0.00 0.00 175.30 170.63 3mjg n MET 65 N 5.00 -0.48 -0.81 5.12 2.81 -1.26 -3.71 117.12 123.78 3mjg n MET 65 Ca -0.12 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3mjg n MET 65 Cb 0.46 -2.90 0.00 0.00 -0.71 0.00 0.00 33.22 30.07 3mjg n MET 65 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3mjg n SER 66 N 1.28 -0.90 -3.84 7.83 7.64 -1.26 -4.97 113.62 119.40 3mjg n SER 66 Ca -0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 3mjg n SER 66 Cb 0.51 -1.35 -0.17 0.00 -1.01 0.00 0.00 64.21 62.19 3mjg n SER 66 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3mjg s GLN 67 N -0.58 0.81 0.06 1.43 -0.21 -1.24 -5.09 119.66 114.84 3mjg s GLN 67 Ca 0.00 -0.02 -0.31 0.00 0.02 0.00 0.00 55.36 55.05 3mjg s GLN 67 Cb 0.00 -1.00 -0.07 0.00 1.00 0.00 0.00 33.01 32.94 3mjg s GLN 67 CO 0.00 -0.21 1.53 -1.83 -2.12 0.00 0.00 175.29 172.66 3mjg s GLU 68 N 1.53 4.24 0.08 2.91 -1.05 -1.26 -2.99 118.70 122.16 3mjg s GLU 68 Ca -0.01 2.18 -0.01 0.00 -0.15 0.00 0.00 54.97 56.98 3mjg s GLU 68 Cb -0.13 -3.50 0.02 0.00 -0.44 0.00 0.00 34.13 30.07 3mjg s GLU 68 CO -0.03 -0.63 0.11 -0.35 0.95 0.00 0.00 175.26 175.30 3mjg n PRO 69 N 5.15 0.04 -1.70 -4.83 -0.04 -1.26 -4.94 135.00 127.43 3mjg n PRO 69 Ca 0.14 -0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 3mjg n PRO 69 Cb 0.42 -0.10 -0.03 0.00 -0.04 0.00 0.00 33.50 33.74 3mjg n PRO 69 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3mjg s PRO 70 N -3.10 2.31 0.00 0.54 0.02 -1.26 -4.93 135.00 128.58 3mjg s PRO 70 Ca 0.06 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.32 3mjg s PRO 70 Cb -0.00 -4.52 0.00 0.00 0.02 0.00 0.00 34.50 30.00 3mjg s PRO 70 CO 0.04 -3.05 0.00 1.04 -0.33 0.00 0.00 177.00 174.70 3mjg n GLN 71 N 9.03 1.67 -2.76 5.54 6.02 -1.26 -4.32 117.38 131.30 3mjg n GLN 71 Ca 0.32 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.27 3mjg n GLN 71 Cb 0.53 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.81 3mjg n GLN 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3mjg n GLU 72 N -0.59 0.54 -2.21 -1.09 1.02 -0.18 -4.93 120.64 113.21 3mjg n GLU 72 Ca 0.00 -1.97 -0.36 0.00 -0.02 0.00 0.00 57.16 54.81 3mjg n GLU 72 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3mjg n GLU 72 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3mjg s MET 73 N 0.86 3.40 -0.25 3.49 -1.94 -1.26 -3.18 119.30 120.41 3mjg s MET 73 Ca 0.30 1.71 -0.19 0.00 -1.71 0.00 0.00 55.69 55.80 3mjg s MET 73 Cb 0.02 -2.11 0.07 0.00 2.01 0.00 0.00 34.83 34.82 3mjg s MET 73 CO -0.07 -0.83 0.65 0.00 -0.01 0.00 0.00 175.02 174.76 3mjg s ALA 74 N -1.67 -1.67 -0.17 3.03 0.00 -0.88 -4.99 121.76 115.42 3mjg s ALA 74 Ca 0.71 2.05 -0.08 0.00 0.00 0.00 0.00 51.96 54.64 3mjg s ALA 74 Cb -0.27 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3mjg s ALA 74 CO 0.31 -0.33 0.11 -1.59 0.00 0.00 0.00 175.76 174.25 3mjg s LYS 75 N 0.96 3.86 0.24 0.00 0.00 -1.26 -1.16 119.74 122.37 3mjg s LYS 75 Ca -0.05 -0.23 -0.13 0.00 0.00 0.00 0.00 55.97 55.56 3mjg s LYS 75 Cb -0.05 -3.27 -0.08 0.00 0.00 0.00 0.00 37.83 34.43 3mjg s LYS 75 CO -0.09 0.46 0.62 0.00 0.00 0.00 0.00 175.35 176.34 3mjg s ALA 76 N -0.11 3.48 0.40 0.59 0.00 0.29 -4.97 121.76 121.46 3mjg s ALA 76 Ca 0.09 -0.10 0.39 0.00 0.00 0.00 0.00 51.96 52.35 3mjg s ALA 76 Cb -0.12 -2.59 1.98 0.00 0.00 0.00 0.00 23.12 22.40 3mjg s ALA 76 CO 0.00 0.43 2.19 0.37 0.00 0.00 0.00 175.76 178.75 3mjg h GLN 77 N 2.79 0.00 -0.87 0.00 -0.00 -1.99 -2.57 115.11 112.47 3mjg h GLN 77 Ca -0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.08 3mjg h GLN 77 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.60 3mjg h GLN 77 CO 0.67 0.00 0.12 -0.40 0.00 0.00 0.00 178.83 179.22 3mjg n ASP 78 N -3.02 3.39 -2.37 -0.69 5.68 -1.26 -4.87 116.55 113.41 3mjg n ASP 78 Ca -0.02 -2.59 -0.12 0.00 -0.50 0.00 0.00 54.79 51.57 3mjg n ASP 78 Cb 0.15 -0.62 0.05 0.00 -1.14 0.00 0.00 41.12 39.56 3mjg n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mjg n GLY 79 N 0.08 0.02 2.79 6.12 0.00 -0.97 -5.04 105.19 108.19 3mjg n GLY 79 Ca 0.20 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3mjg n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mjg s THR 80 N -3.20 0.51 -0.01 2.61 2.01 -1.21 -4.62 115.64 111.72 3mjg s THR 80 Ca 0.15 -0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 3mjg s THR 80 Cb -0.07 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 3mjg s THR 80 CO 0.43 0.21 0.29 -0.36 -0.69 0.00 0.00 174.62 174.50 3mjg s PHE 81 N 1.91 3.62 0.22 4.92 0.08 -0.47 0.11 117.98 128.36 3mjg s PHE 81 Ca 0.04 0.70 -0.00 0.00 0.12 0.00 0.00 56.93 57.79 3mjg s PHE 81 Cb -0.13 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 3mjg s PHE 81 CO -0.06 0.64 0.12 -1.54 -0.10 0.00 0.00 175.22 174.28 3mjg s SER 82 N -1.41 0.49 -0.21 1.36 1.04 -0.31 -0.79 113.70 113.88 3mjg s SER 82 Ca 0.25 -1.39 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 3mjg s SER 82 Cb -0.14 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.36 3mjg s SER 82 CO 0.13 -0.81 0.52 -0.55 0.98 0.00 0.00 173.24 173.51 3mjg s SER 83 N -3.21 -0.63 0.07 7.02 0.15 -0.75 -2.07 113.70 114.28 3mjg s SER 83 Ca 0.39 1.11 0.06 0.00 0.70 0.00 0.00 55.95 58.20 3mjg s SER 83 Cb 0.07 1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 65.39 3mjg s SER 83 CO 0.13 -0.20 -0.16 0.68 1.20 0.00 0.00 173.24 174.89 3mjg s VAL 84 N 1.00 1.27 -0.08 4.45 -7.23 -1.19 -2.06 120.40 116.56 3mjg s VAL 84 Ca -0.06 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3mjg s VAL 84 Cb -0.06 -1.19 0.04 0.00 0.56 0.00 0.00 36.38 35.74 3mjg s VAL 84 CO -0.09 -0.15 0.15 -1.48 -0.31 0.00 0.00 175.10 173.23 3mjg s LEU 85 N -1.69 0.13 -0.13 1.32 2.34 -1.13 -1.01 118.68 118.51 3mjg s LEU 85 Ca 0.01 0.31 -0.20 0.00 0.06 0.00 0.00 54.13 54.30 3mjg s LEU 85 Cb -0.10 0.27 -0.04 0.00 -0.56 0.00 0.00 46.19 45.77 3mjg s LEU 85 CO 0.03 -0.22 0.59 -0.89 -1.06 0.00 0.00 176.35 174.79 3mjg s THR 86 N 2.02 5.10 -0.53 5.48 2.01 -1.26 -3.28 115.64 125.18 3mjg s THR 86 Ca 0.00 1.16 -0.16 0.00 0.31 0.00 0.00 61.69 63.01 3mjg s THR 86 Cb -0.12 -3.92 0.12 0.00 0.01 0.00 0.00 72.50 68.59 3mjg s THR 86 CO -0.06 0.24 0.48 -0.76 -0.69 0.00 0.00 174.62 173.84 3mjg s LEU 87 N 1.05 6.10 -0.05 4.42 1.43 -0.56 -4.99 118.68 126.08 3mjg s LEU 87 Ca 0.30 -1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 51.61 3mjg s LEU 87 Cb -0.16 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3mjg s LEU 87 CO 0.13 -0.83 0.22 -0.89 0.23 0.00 0.00 176.35 175.21 3mjg s THR 88 N 1.61 5.37 -0.56 5.49 2.01 -1.26 -2.75 115.64 125.55 3mjg s THR 88 Ca 0.03 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 3mjg s THR 88 Cb -0.29 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.72 3mjg s THR 88 CO 0.04 0.49 0.64 -3.20 -0.69 0.00 0.00 174.62 171.89 3mjg n ASN 89 N 1.53 -7.43 -4.71 3.53 2.85 -1.22 -4.86 115.26 104.95 3mjg n ASN 89 Ca -0.15 0.16 -0.42 0.00 -0.11 0.00 0.00 54.58 54.06 3mjg n ASN 89 Cb 0.54 -4.70 -0.03 0.00 1.24 0.00 0.00 39.78 36.83 3mjg n ASN 89 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3mjg s LEU 90 N -3.20 4.37 0.05 1.20 1.43 -1.04 -4.63 118.68 116.86 3mjg s LEU 90 Ca 0.17 2.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.80 3mjg s LEU 90 Cb -0.04 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3mjg s LEU 90 CO 0.78 -0.78 -0.10 0.28 0.23 0.00 0.00 176.35 176.76 3mjg s THR 91 N 1.35 0.78 0.30 5.49 -1.32 -1.26 0.25 115.64 121.23 3mjg s THR 91 Ca 0.69 -1.05 0.01 0.00 -1.21 0.00 0.00 61.69 60.12 3mjg s THR 91 Cb -0.41 -0.78 0.37 0.00 -1.51 0.00 0.00 72.50 70.18 3mjg s THR 91 CO 0.31 -0.23 1.59 1.23 -2.21 0.00 0.00 174.62 175.31 3mjg h GLY 92 N 4.65 1.23 1.03 6.08 0.00 -1.88 0.35 103.07 114.52 3mjg h GLY 92 Ca -0.37 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3mjg h GLY 92 CO 0.42 -0.46 0.31 1.04 0.00 0.00 0.00 176.54 177.85 3mjg n LEU 93 N -5.42 0.16 0.04 3.11 4.77 -1.26 0.02 117.00 118.42 3mjg n LEU 93 Ca 0.22 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.50 3mjg n LEU 93 Cb 0.72 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 3mjg n LEU 93 CO -0.03 -0.46 -0.15 0.44 -1.33 0.00 0.00 177.39 175.87 3mjg h ASP 94 N 0.00 0.08 -1.04 -1.43 3.32 -0.67 -3.47 116.42 113.21 3mjg h ASP 94 Ca 0.00 -0.11 -0.81 0.00 0.02 0.00 0.00 57.03 56.13 3mjg h ASP 94 Cb 0.62 -0.03 0.04 0.00 0.22 0.00 0.00 39.33 40.18 3mjg h ASP 94 CO 0.00 1.09 0.28 0.41 -1.72 0.00 0.00 179.24 179.30 3mjg n THR 95 N -3.28 0.01 -3.74 0.35 -1.04 0.10 -4.82 114.28 101.86 3mjg n THR 95 Ca -0.08 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3mjg n THR 95 Cb 0.99 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 3mjg n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mjg n GLY 96 N 2.32 -1.19 3.73 3.41 0.00 -0.49 -4.98 105.19 108.00 3mjg n GLY 96 Ca 0.23 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 3mjg n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mjg s GLU 97 N -2.00 4.65 -0.12 1.61 2.02 -1.26 -1.92 118.70 121.67 3mjg s GLU 97 Ca 0.00 1.40 -0.00 0.00 0.02 0.00 0.00 54.97 56.38 3mjg s GLU 97 Cb 0.00 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.86 3mjg s GLU 97 CO 0.00 0.17 -0.08 0.71 0.02 0.00 0.00 175.26 176.07 3mjg s TYR 98 N 0.20 1.57 0.49 1.61 1.51 -0.24 -4.50 117.35 117.99 3mjg s TYR 98 Ca 0.47 -0.81 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 3mjg s TYR 98 Cb -0.22 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 3mjg s TYR 98 CO 0.29 -0.54 0.37 -0.06 -1.11 0.00 0.00 175.55 174.50 3mjg s PHE 99 N 1.68 2.05 -0.18 2.71 0.40 -1.23 -0.44 117.98 122.97 3mjg s PHE 99 Ca 0.05 -0.71 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 3mjg s PHE 99 Cb -0.13 -1.99 0.08 0.00 0.51 0.00 0.00 43.02 41.50 3mjg s PHE 99 CO -0.09 -0.29 0.20 0.00 0.70 0.00 0.00 175.22 175.75 3mjg n THR 101 N 5.32 0.00 -2.65 0.00 -2.24 0.20 -3.20 114.28 111.71 3mjg n THR 101 Ca -0.06 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 3mjg n THR 101 Cb 0.50 -0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.66 3mjg n THR 101 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3mjg n HIS 102 N 0.00 1.56 -4.44 4.78 8.25 -1.26 -3.89 115.22 120.22 3mjg n HIS 102 Ca 0.00 -2.54 -0.21 0.00 -0.26 0.00 0.00 57.72 54.71 3mjg n HIS 102 Cb 0.00 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.71 3mjg n HIS 102 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3mjg s ASN 103 N -3.46 2.49 0.00 0.41 0.02 -1.25 -4.84 114.94 108.31 3mjg s ASN 103 Ca 0.31 -1.30 0.00 0.00 -1.02 0.00 0.00 52.86 50.85 3mjg s ASN 103 Cb 0.40 -0.11 0.00 0.00 0.02 0.00 0.00 41.25 41.56 3mjg s ASN 103 CO -0.01 -0.51 0.02 -0.90 0.02 0.00 0.00 177.10 175.72 3mjg n ASP 104 N -0.63 0.00 0.04 -1.22 5.68 -1.26 -4.33 116.55 114.83 3mjg n ASP 104 Ca -0.04 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.39 3mjg n ASP 104 Cb 0.65 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.14 3mjg n ASP 104 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3mjg n ASP 111 N -0.41 0.35 -4.40 -1.12 2.03 -1.26 -5.04 116.55 106.69 3mjg n ASP 111 Ca 0.00 0.46 -0.40 0.00 0.52 0.00 0.00 54.79 55.38 3mjg n ASP 111 Cb 0.02 -0.53 -0.11 0.00 -0.72 0.00 0.00 41.12 39.78 3mjg n ASP 111 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3mjg s GLU 112 N -3.04 3.05 0.16 -0.67 8.01 -1.26 -5.05 118.70 119.90 3mjg s GLU 112 Ca 0.12 -0.92 0.01 0.00 0.01 0.00 0.00 54.97 54.19 3mjg s GLU 112 Cb 0.16 -3.66 -0.00 0.00 -4.31 0.00 0.00 34.13 26.32 3mjg s GLU 112 CO 0.57 -0.58 0.19 2.89 0.01 0.00 0.00 175.26 178.35 3mjg n ARG 113 N 4.99 0.28 -4.02 1.61 1.85 -1.26 -4.87 116.66 115.24 3mjg n ARG 113 Ca -0.13 -1.44 -0.31 0.00 -1.00 0.00 0.00 57.85 54.97 3mjg n ARG 113 Cb 0.47 1.30 -0.16 0.00 -1.05 0.00 0.00 32.46 33.02 3mjg n ARG 113 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3mjg s LYS 114 N -2.49 2.20 -0.14 2.89 -0.14 -1.19 -4.99 119.74 115.88 3mjg s LYS 114 Ca 0.16 -0.84 -0.07 0.00 -1.36 0.00 0.00 55.97 53.86 3mjg s LYS 114 Cb 0.00 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 3mjg s LYS 114 CO 0.11 -0.38 0.11 -0.98 -0.76 0.00 0.00 175.35 173.45 3mjg s ARG 115 N 1.37 3.62 0.11 1.68 1.70 -1.26 -2.62 118.95 123.55 3mjg s ARG 115 Ca -0.00 -0.21 0.10 0.00 -0.47 0.00 0.00 55.73 55.15 3mjg s ARG 115 Cb -0.16 -3.19 -0.04 0.00 -0.57 0.00 0.00 34.95 30.99 3mjg s ARG 115 CO -0.09 0.60 -0.24 -0.51 -1.08 0.00 0.00 175.30 173.98 3mjg s LEU 116 N -0.53 2.40 -0.13 -1.89 1.02 0.41 -4.94 118.68 115.03 3mjg s LEU 116 Ca 0.12 -0.67 0.02 0.00 0.02 0.00 0.00 54.13 53.62 3mjg s LEU 116 Cb -0.12 -1.32 0.00 0.00 0.02 0.00 0.00 46.19 44.78 3mjg s LEU 116 CO 0.02 0.19 -0.20 -0.47 0.02 0.00 0.00 176.35 175.91 3mjg s TYR 117 N -1.04 2.67 -0.13 0.29 5.04 -0.79 -1.08 117.35 122.31 3mjg s TYR 117 Ca 0.15 -1.09 0.01 0.00 -2.44 0.00 0.00 57.07 53.69 3mjg s TYR 117 Cb -0.10 -1.79 -0.01 0.00 0.35 0.00 0.00 41.96 40.41 3mjg s TYR 117 CO 0.06 -0.47 -0.17 0.42 -1.34 0.00 0.00 175.55 174.06 3mjg s ILE 118 N 0.58 2.64 -0.27 3.14 1.01 -0.81 0.08 121.20 127.57 3mjg s ILE 118 Ca -0.12 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3mjg s ILE 118 Cb -0.16 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 3mjg s ILE 118 CO 0.03 0.53 0.07 -0.36 0.00 0.00 0.00 174.94 175.21 3mjg s PHE 119 N 0.53 3.10 -0.87 3.97 0.08 0.18 -1.39 117.98 123.57 3mjg s PHE 119 Ca -0.11 -0.69 -0.00 0.00 0.12 0.00 0.00 56.93 56.25 3mjg s PHE 119 Cb -0.16 -2.24 0.22 0.00 -0.57 0.00 0.00 43.02 40.27 3mjg s PHE 119 CO 0.04 -0.47 0.78 0.28 -0.10 0.00 0.00 175.22 175.75 3mjg n VAL 120 N 4.89 2.91 -1.52 -0.44 0.31 -1.23 -0.40 118.33 122.85 3mjg n VAL 120 Ca -0.16 -5.12 -0.21 0.00 -0.01 0.00 0.00 64.34 58.84 3mjg n VAL 120 Cb 0.50 -2.33 -0.17 0.00 -0.91 0.00 0.00 33.84 30.93 3mjg n VAL 120 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3mjg n PRO 121 N 2.13 0.19 -3.92 5.55 -0.02 -1.16 -3.34 135.00 134.44 3mjg n PRO 121 Ca 0.22 -0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 3mjg n PRO 121 Cb 0.37 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 3mjg n PRO 121 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3mjg s ASP 122 N 4.15 4.89 0.00 2.55 -1.08 -1.26 -4.58 116.67 121.34 3mjg s ASP 122 Ca 1.20 -1.51 0.04 0.00 -0.52 0.00 0.00 52.55 51.76 3mjg s ASP 122 Cb -0.66 -1.70 0.23 0.00 -1.46 0.00 0.00 42.92 39.32 3mjg s ASP 122 CO 0.42 -0.31 0.88 -0.81 0.52 0.00 0.00 175.17 175.86 3mjg n PRO 123 N 4.56 0.09 -0.43 4.34 -0.04 -1.26 -0.36 135.00 141.89 3mjg n PRO 123 Ca -0.10 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 3mjg n PRO 123 Cb 0.43 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.68 3mjg n PRO 123 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3mjg n THR 124 N -1.18 1.39 -3.63 0.52 -2.24 -1.26 -4.84 114.28 103.04 3mjg n THR 124 Ca 0.02 -1.13 -0.21 0.00 -2.27 0.00 0.00 64.05 60.46 3mjg n THR 124 Cb 0.03 0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 68.41 3mjg n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mjg s VAL 125 N -1.42 -0.15 0.00 2.28 1.01 0.51 -5.08 120.40 117.55 3mjg s VAL 125 Ca 0.44 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3mjg s VAL 125 Cb 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.26 3mjg s VAL 125 CO 0.25 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3mjg n GLY 126 N 5.30 1.39 3.72 4.51 0.00 -1.26 -4.70 105.19 114.15 3mjg n GLY 126 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3mjg n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mjg s PHE 127 N 0.21 3.70 -0.32 1.61 0.40 -1.26 -4.27 117.98 118.05 3mjg s PHE 127 Ca 0.00 1.70 -0.34 0.00 -0.60 0.00 0.00 56.93 57.69 3mjg s PHE 127 Cb 0.00 -3.08 -0.10 0.00 0.51 0.00 0.00 43.02 40.35 3mjg s PHE 127 CO 0.00 0.06 2.19 1.28 0.70 0.00 0.00 175.22 179.45 3mjg n LEU 128 N 3.59 2.39 -4.63 -0.37 7.99 -0.40 -4.85 117.00 120.71 3mjg n LEU 128 Ca 0.05 0.37 -0.41 0.00 -0.01 0.00 0.00 56.01 56.01 3mjg n LEU 128 Cb 0.51 -1.33 0.01 0.00 -0.11 0.00 0.00 43.42 42.50 3mjg n LEU 128 CO 0.51 -0.72 0.65 -0.81 -1.51 0.00 0.00 177.39 175.52 3mjg n PRO 129 N 8.30 1.45 -4.10 3.23 -0.04 -1.26 -4.71 135.00 137.88 3mjg n PRO 129 Ca 0.39 0.52 -0.07 0.00 -0.04 0.00 0.00 63.50 64.29 3mjg n PRO 129 Cb 0.28 -2.13 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 3mjg n PRO 129 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mjg s ASN 130 N -0.73 0.55 0.86 3.54 2.20 -1.26 -5.13 114.94 114.96 3mjg s ASN 130 Ca 0.64 -1.00 -0.15 0.00 -0.94 0.00 0.00 52.86 51.41 3mjg s ASN 130 Cb -0.54 0.19 -0.02 0.00 -2.00 0.00 0.00 41.25 38.88 3mjg s ASN 130 CO 0.56 -0.59 0.27 0.47 -2.94 0.00 0.00 177.10 174.87 3mjg n ASP 131 N 0.11 -2.36 0.16 3.54 9.92 -1.26 -4.87 116.55 121.79 3mjg n ASP 131 Ca -0.14 0.42 0.04 0.00 -0.53 0.00 0.00 54.79 54.58 3mjg n ASP 131 Cb 0.61 -1.14 0.19 0.00 -0.64 0.00 0.00 41.12 40.15 3mjg n ASP 131 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mjg h ALA 132 N -0.98 0.83 0.00 2.24 0.00 -2.01 -2.46 119.26 116.88 3mjg h ALA 132 Ca -0.44 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3mjg h ALA 132 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3mjg h ALA 132 CO 0.36 0.55 0.00 1.49 0.00 0.00 0.00 179.25 181.66 3mjg h GLU 133 N 0.00 0.00 0.03 0.00 4.81 -1.91 -2.38 114.58 115.13 3mjg h GLU 133 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 3mjg h GLU 133 Cb 1.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 3mjg h GLU 133 CO 0.06 0.00 -1.52 0.93 -0.73 0.00 0.00 179.01 177.75 3mjg h GLU 134 N 0.00 0.05 0.00 1.92 4.39 -1.79 -3.32 114.58 115.84 3mjg h GLU 134 Ca 0.00 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3mjg h GLU 134 Cb 0.47 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3mjg h GLU 134 CO 0.00 0.76 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.49 3mjg h LEU 135 N 0.01 0.00 -9.02 1.33 4.07 -1.27 -3.40 115.31 107.03 3mjg h LEU 135 Ca -0.22 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.12 3mjg h LEU 135 Cb 1.95 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 43.52 3mjg h LEU 135 CO 0.11 0.06 -0.60 -0.36 -1.08 0.00 0.00 178.44 176.56 3mjg s PHE 136 N -3.90 3.17 -0.40 1.13 0.40 -1.19 -0.95 117.98 116.24 3mjg s PHE 136 Ca -0.01 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 3mjg s PHE 136 Cb 0.11 -2.03 0.11 0.00 0.51 0.00 0.00 43.02 41.72 3mjg s PHE 136 CO 0.53 0.10 0.12 0.42 0.70 0.00 0.00 175.22 177.10 3mjg s ILE 137 N 0.32 2.40 -0.05 0.64 1.01 -0.46 -4.91 121.20 120.15 3mjg s ILE 137 Ca 0.01 -2.66 -0.12 0.00 0.00 0.00 0.00 60.65 57.87 3mjg s ILE 137 Cb -0.13 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 3mjg s ILE 137 CO 0.01 -0.67 0.32 -0.36 0.00 0.00 0.00 174.94 174.24 3mjg s PHE 138 N 0.52 3.67 0.03 3.97 0.40 -1.26 -1.69 117.98 123.62 3mjg s PHE 138 Ca 0.13 0.82 0.04 0.00 -0.60 0.00 0.00 56.93 57.32 3mjg s PHE 138 Cb -0.21 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 3mjg s PHE 138 CO -0.05 0.64 -0.12 -0.51 0.70 0.00 0.00 175.22 175.88 3mjg s LEU 139 N -0.95 2.16 0.12 -0.37 1.43 -0.01 -4.98 118.68 116.08 3mjg s LEU 139 Ca 0.21 -0.42 0.23 0.00 -1.03 0.00 0.00 54.13 53.11 3mjg s LEU 139 Cb -0.15 -0.51 0.07 0.00 0.03 0.00 0.00 46.19 45.63 3mjg s LEU 139 CO 0.10 0.01 1.06 0.41 0.23 0.00 0.00 176.35 178.16 3mjg n THR 140 N 1.98 0.38 -3.82 5.49 -1.04 -1.26 0.79 114.28 116.80 3mjg n THR 140 Ca -0.18 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.05 61.36 3mjg n THR 140 Cb 0.55 -0.10 0.01 0.00 -1.82 0.00 0.00 70.33 68.97 3mjg n THR 140 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3mjg s GLU 141 N -3.28 2.10 -0.18 -2.82 1.03 -1.26 -4.82 118.70 109.46 3mjg s GLU 141 Ca 0.02 -1.31 -0.29 0.00 0.03 0.00 0.00 54.97 53.41 3mjg s GLU 141 Cb 0.12 0.61 -0.01 0.00 -0.80 0.00 0.00 34.13 34.05 3mjg s GLU 141 CO 0.79 -0.98 1.29 0.42 -1.33 0.00 0.00 175.26 175.45 3mjg s ILE 142 N -2.66 4.23 0.26 1.83 -1.09 -1.26 -4.98 121.20 117.52 3mjg s ILE 142 Ca 0.15 1.47 -0.21 0.00 -2.23 0.00 0.00 60.65 59.83 3mjg s ILE 142 Cb -0.05 -3.99 0.02 0.00 -1.58 0.00 0.00 42.46 36.87 3mjg s ILE 142 CO 0.10 -0.17 0.68 0.42 -1.23 0.00 0.00 174.94 174.74 3mjg s THR 143 N 3.64 0.00 0.63 2.92 -4.23 -1.26 -5.14 115.64 112.20 3mjg s THR 143 Ca 0.56 -0.89 -0.18 0.00 -1.18 0.00 0.00 61.69 59.99 3mjg s THR 143 Cb -0.22 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 3mjg s THR 143 CO 0.16 -0.01 1.24 -0.70 -0.54 0.00 0.00 174.62 174.77 3mjg s GLU 144 N -3.90 2.75 0.09 3.99 2.12 -1.26 -4.79 118.70 117.69 3mjg s GLU 144 Ca 0.10 1.90 0.03 0.00 0.36 0.00 0.00 54.97 57.36 3mjg s GLU 144 Cb -0.05 -1.89 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 3mjg s GLU 144 CO 0.04 -1.40 -0.09 0.42 -0.54 0.00 0.00 175.26 173.69 3mjg s ILE 145 N -1.57 0.82 -0.05 -3.70 1.01 0.16 -4.94 121.20 112.93 3mjg s ILE 145 Ca 0.79 -1.66 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3mjg s ILE 145 Cb -0.33 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.78 3mjg s ILE 145 CO 0.37 -0.63 -0.15 -0.89 0.00 0.00 0.00 174.94 173.63 3mjg s THR 146 N -2.66 1.33 -0.69 2.92 2.01 -1.26 -0.42 115.64 116.87 3mjg s THR 146 Ca 0.05 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 3mjg s THR 146 Cb -0.01 -1.16 0.18 0.00 0.01 0.00 0.00 72.50 71.51 3mjg s THR 146 CO -0.01 0.39 0.55 -0.63 -0.69 0.00 0.00 174.62 174.22 3mjg s ILE 147 N 0.28 4.32 0.00 1.82 -1.09 0.15 -4.95 121.20 121.72 3mjg s ILE 147 Ca -0.08 -2.82 0.00 0.00 -2.23 0.00 0.00 60.65 55.52 3mjg s ILE 147 Cb -0.13 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 3mjg s ILE 147 CO 0.03 -0.93 0.32 -0.81 -1.23 0.00 0.00 174.94 172.33 3mjg n PRO 148 N 3.62 0.00 -3.33 2.79 -0.04 -1.25 -2.52 135.00 134.28 3mjg n PRO 148 Ca 0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 3mjg n PRO 148 Cb 0.41 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 3mjg n PRO 148 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mjg s ARG 150 N 2.19 1.66 0.56 0.00 0.52 -1.26 -4.41 118.95 118.21 3mjg s ARG 150 Ca 0.15 -1.44 0.05 0.00 -0.52 0.00 0.00 55.73 53.96 3mjg s ARG 150 Cb -0.16 -1.94 0.05 0.00 0.52 0.00 0.00 34.95 33.42 3mjg s ARG 150 CO 0.13 0.41 0.39 0.14 0.02 0.00 0.00 175.30 176.39 3mjg s VAL 151 N -1.64 1.52 -0.14 3.52 -7.23 -1.26 -1.27 120.40 113.90 3mjg s VAL 151 Ca 0.21 -1.52 0.18 0.00 -1.81 0.00 0.00 61.98 59.04 3mjg s VAL 151 Cb -0.08 -2.04 -0.26 0.00 0.56 0.00 0.00 36.38 34.57 3mjg s VAL 151 CO 0.11 0.00 0.18 0.35 -0.31 0.00 0.00 175.10 175.43 3mjg n THR 152 N -1.78 0.90 -3.77 5.32 -2.24 -1.26 -4.84 114.28 106.61 3mjg n THR 152 Ca -0.03 -0.69 -0.37 0.00 -2.27 0.00 0.00 64.05 60.68 3mjg n THR 152 Cb 0.65 -0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.41 3mjg n THR 152 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mjg s ASP 153 N -5.01 5.14 0.63 3.42 3.68 -1.26 -2.97 116.67 120.29 3mjg s ASP 153 Ca -0.09 -0.91 0.23 0.00 2.13 0.00 0.00 52.55 53.91 3mjg s ASP 153 Cb 0.08 -1.86 1.27 0.00 -1.45 0.00 0.00 42.92 40.96 3mjg s ASP 153 CO 0.79 -0.25 1.70 -0.65 0.13 0.00 0.00 175.17 176.90 3mjg h PRO 154 N 8.21 0.00 -0.27 4.34 0.11 -1.96 0.14 132.00 142.57 3mjg h PRO 154 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3mjg h PRO 154 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mjg h PRO 154 CO 0.60 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.43 3mjg n GLN 155 N -2.73 1.97 -2.73 1.05 1.13 -1.26 -4.93 117.38 109.88 3mjg n GLN 155 Ca -0.02 -1.47 -0.41 0.00 -1.94 0.00 0.00 57.00 53.17 3mjg n GLN 155 Cb 0.47 -1.41 -0.05 0.00 0.11 0.00 0.00 30.24 29.35 3mjg n GLN 155 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3mjg s LEU 156 N -1.45 4.57 -0.53 1.08 1.43 0.48 -5.02 118.68 119.23 3mjg s LEU 156 Ca 0.33 1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 55.09 3mjg s LEU 156 Cb 0.18 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.85 3mjg s LEU 156 CO 0.26 0.04 0.81 -0.69 0.23 0.00 0.00 176.35 177.00 3mjg s VAL 157 N -0.60 4.59 -0.21 -1.59 1.01 -1.26 -5.03 120.40 117.31 3mjg s VAL 157 Ca 0.44 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 3mjg s VAL 157 Cb -0.25 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 3mjg s VAL 157 CO 0.31 -0.99 0.03 -0.69 0.00 0.00 0.00 175.10 173.76 3mjg s VAL 158 N 3.39 4.17 0.20 2.92 1.01 -1.26 -4.25 120.40 126.59 3mjg s VAL 158 Ca 0.24 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3mjg s VAL 158 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3mjg s VAL 158 CO 0.16 0.40 0.02 0.42 0.00 0.00 0.00 175.10 176.10 3mjg s THR 159 N 1.13 3.76 -0.13 3.92 -4.23 -0.22 -4.93 115.64 114.94 3mjg s THR 159 Ca 0.03 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 3mjg s THR 159 Cb -0.14 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 3mjg s THR 159 CO 0.02 -0.18 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.66 3mjg s LEU 160 N -3.17 3.30 0.06 4.79 0.20 -1.26 -1.07 118.68 121.52 3mjg s LEU 160 Ca 0.29 -0.06 -0.00 0.00 0.69 0.00 0.00 54.13 55.05 3mjg s LEU 160 Cb -0.09 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 3mjg s LEU 160 CO 0.20 0.24 -0.04 -1.00 -0.29 0.00 0.00 176.35 175.46 3mjg s HIS 161 N -0.08 0.57 0.37 5.38 3.76 -0.39 -0.71 115.29 124.19 3mjg s HIS 161 Ca 0.02 -1.00 -0.24 0.00 -0.15 0.00 0.00 55.06 53.69 3mjg s HIS 161 Cb -0.13 -0.40 -0.10 0.00 1.11 0.00 0.00 32.58 33.06 3mjg s HIS 161 CO 0.02 -0.32 0.98 -1.21 -0.85 0.00 0.00 174.74 173.36 3mjg s GLU 162 N -3.71 4.36 0.08 1.40 2.02 -1.26 -1.32 118.70 120.27 3mjg s GLU 162 Ca 0.06 1.34 -0.15 0.00 0.02 0.00 0.00 54.97 56.24 3mjg s GLU 162 Cb 0.06 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 3mjg s GLU 162 CO -0.08 0.07 0.90 1.17 0.02 0.00 0.00 175.26 177.34 3mjg n LYS 163 N 0.07 -0.21 -3.46 1.61 4.81 -0.16 -1.78 118.16 119.04 3mjg n LYS 163 Ca 0.04 0.89 -0.42 0.00 -0.87 0.00 0.00 58.31 57.95 3mjg n LYS 163 Cb 0.51 -1.31 -0.03 0.00 0.02 0.00 0.00 35.03 34.22 3mjg n LYS 163 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3mjg s LYS 164 N -4.68 3.78 -0.11 1.64 -0.14 -1.26 -4.91 119.74 114.05 3mjg s LYS 164 Ca -0.06 -3.17 -0.30 0.00 -1.36 0.00 0.00 55.97 51.09 3mjg s LYS 164 Cb 0.05 -4.31 0.08 0.00 -1.68 0.00 0.00 37.83 31.97 3mjg s LYS 164 CO 0.29 -1.25 0.74 0.20 -0.76 0.00 0.00 175.35 174.57 3mjg s GLY 165 N 0.84 -0.52 -0.24 -3.33 0.00 -0.73 -5.08 107.32 98.26 3mjg s GLY 165 Ca 0.28 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.60 3mjg s GLY 165 CO -0.10 1.15 -0.22 1.22 0.00 0.00 0.00 173.10 175.16 3mjg n ASP 166 N 1.28 2.12 -4.77 1.64 9.92 -1.26 -4.60 116.55 120.88 3mjg n ASP 166 Ca -0.17 -0.09 -0.41 0.00 -0.53 0.00 0.00 54.79 53.59 3mjg n ASP 166 Cb 0.57 -0.41 -0.01 0.00 -0.64 0.00 0.00 41.12 40.63 3mjg n ASP 166 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3mjg s VAL 167 N -2.47 2.31 0.34 2.53 1.01 -1.26 -4.98 120.40 117.88 3mjg s VAL 167 Ca -0.32 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 3mjg s VAL 167 Cb 0.09 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 3mjg s VAL 167 CO 0.54 0.07 0.95 0.00 0.00 0.00 0.00 175.10 176.65 3mjg s ALA 168 N -0.91 3.18 0.12 5.51 0.00 -1.26 -4.70 121.76 123.71 3mjg s ALA 168 Ca 0.53 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3mjg s ALA 168 Cb -0.44 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 3mjg s ALA 168 CO 0.57 0.17 0.51 -0.51 0.00 0.00 0.00 175.76 176.49 3mjg s LEU 169 N -2.23 4.36 -1.42 0.00 1.43 0.11 -4.99 118.68 115.94 3mjg s LEU 169 Ca 0.52 1.02 -0.14 0.00 -1.03 0.00 0.00 54.13 54.50 3mjg s LEU 169 Cb -0.17 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3mjg s LEU 169 CO 0.22 0.14 2.27 -0.81 0.23 0.00 0.00 176.35 178.40 3mjg n PRO 170 N 0.92 2.81 -5.11 1.29 -0.04 -1.26 -4.61 135.00 129.01 3mjg n PRO 170 Ca -0.07 -2.49 -0.28 0.00 -0.04 0.00 0.00 63.50 60.62 3mjg n PRO 170 Cb 0.52 -3.21 -0.16 0.00 -0.04 0.00 0.00 33.50 30.61 3mjg n PRO 170 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mjg s VAL 171 N 3.25 1.77 0.20 0.52 1.01 -1.26 -5.09 120.40 120.81 3mjg s VAL 171 Ca 0.50 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3mjg s VAL 171 Cb 0.14 -1.47 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 3mjg s VAL 171 CO -0.07 0.50 1.17 -2.16 0.00 0.00 0.00 175.10 174.54 3mjg s PRO 172 N -0.49 4.52 -0.11 2.72 0.04 -1.26 -4.89 135.00 135.52 3mjg s PRO 172 Ca 0.08 1.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 3mjg s PRO 172 Cb -0.09 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3mjg s PRO 172 CO -0.01 -0.02 -0.03 -0.47 0.04 0.00 0.00 177.00 176.52 3mjg s TYR 173 N -0.30 3.06 -0.31 0.56 5.04 -1.26 -2.29 117.35 121.85 3mjg s TYR 173 Ca 0.51 -0.04 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 3mjg s TYR 173 Cb -0.32 -1.86 0.09 0.00 0.35 0.00 0.00 41.96 40.22 3mjg s TYR 173 CO 0.38 0.22 0.01 0.34 -1.34 0.00 0.00 175.55 175.16 3mjg s ASP 174 N -0.30 4.56 0.37 4.32 -1.08 0.09 -4.98 116.67 119.65 3mjg s ASP 174 Ca 0.05 -1.87 0.10 0.00 -0.52 0.00 0.00 52.55 50.32 3mjg s ASP 174 Cb -0.12 -1.51 0.56 0.00 -1.46 0.00 0.00 42.92 40.39 3mjg s ASP 174 CO 0.02 -0.33 1.18 0.45 0.52 0.00 0.00 175.17 177.01 3mjg h HIS 175 N 7.72 0.00 0.00 -5.34 3.86 -1.95 1.05 115.15 120.49 3mjg h HIS 175 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3mjg h HIS 175 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3mjg h HIS 175 CO 0.49 0.00 -1.38 1.04 0.86 0.00 0.00 177.93 178.94 3mjg n GLN 176 N -2.05 0.61 0.00 2.45 6.02 -1.26 -4.41 117.38 118.74 3mjg n GLN 176 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3mjg n GLN 176 Cb 0.47 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3mjg n GLN 176 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3mjg n ARG 177 N -2.48 2.20 0.00 -1.09 1.74 0.21 -5.05 116.66 112.19 3mjg n ARG 177 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3mjg n ARG 177 Cb 0.55 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 3mjg n ARG 177 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mjg n GLY 178 N 1.63 0.10 3.75 -0.13 0.00 0.30 -3.85 105.19 107.00 3mjg n GLY 178 Ca 0.00 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 3mjg n GLY 178 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mjg s PHE 179 N 0.00 3.62 -0.10 1.61 0.40 -1.05 -0.73 117.98 121.73 3mjg s PHE 179 Ca 0.00 1.08 0.01 0.00 -0.60 0.00 0.00 56.93 57.42 3mjg s PHE 179 Cb 0.00 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 40.98 3mjg s PHE 179 CO 0.00 0.31 -0.13 -1.12 0.70 0.00 0.00 175.22 174.98 3mjg s SER 180 N 0.04 2.27 0.00 1.36 0.01 -0.97 0.29 113.70 116.71 3mjg s SER 180 Ca 0.29 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.17 3mjg s SER 180 Cb -0.17 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.06 3mjg s SER 180 CO 0.14 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3mjg n GLY 181 N 4.30 1.48 3.36 3.44 0.00 0.44 -4.05 105.19 114.16 3mjg n GLY 181 Ca -0.18 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3mjg n GLY 181 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mjg s ILE 182 N -1.49 2.44 0.23 -0.61 -5.25 -1.26 0.38 121.20 115.64 3mjg s ILE 182 Ca 0.00 -0.95 0.00 0.00 -0.99 0.00 0.00 60.65 58.71 3mjg s ILE 182 Cb 0.00 -1.90 -0.05 0.00 2.95 0.00 0.00 42.46 43.46 3mjg s ILE 182 CO 0.00 0.58 0.10 -0.36 -1.79 0.00 0.00 174.94 173.47 3mjg s PHE 183 N -0.55 1.38 0.25 1.37 0.08 -1.26 -5.02 117.98 114.23 3mjg s PHE 183 Ca 0.08 -1.24 0.07 0.00 0.12 0.00 0.00 56.93 55.95 3mjg s PHE 183 Cb -0.11 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 3mjg s PHE 183 CO 0.00 -0.43 0.24 -1.21 -0.10 0.00 0.00 175.22 173.73 3mjg s GLU 184 N -4.07 3.06 -0.96 0.44 2.02 -1.26 -5.00 118.70 112.93 3mjg s GLU 184 Ca 0.37 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 54.14 3mjg s GLU 184 Cb 0.07 -2.65 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 3mjg s GLU 184 CO 0.12 0.40 1.99 -0.51 0.02 0.00 0.00 175.26 177.28 3mjg s ASP 185 N -3.88 4.94 0.06 -0.19 1.01 -1.26 -4.73 116.67 112.61 3mjg s ASP 185 Ca 0.33 -0.85 0.00 0.00 0.71 0.00 0.00 52.55 52.75 3mjg s ASP 185 Cb -0.08 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 3mjg s ASP 185 CO 0.26 -3.00 0.07 0.54 0.21 0.00 0.00 175.17 173.25 3mjg n ARG 186 N 8.70 0.10 -4.66 8.23 1.74 -1.25 -4.91 116.66 124.60 3mjg n ARG 186 Ca 0.42 -0.51 -0.33 0.00 -0.77 0.00 0.00 57.85 56.65 3mjg n ARG 186 Cb 0.46 0.46 -0.12 0.00 -1.02 0.00 0.00 32.46 32.25 3mjg n ARG 186 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mjg s SER 187 N -1.38 4.44 0.20 0.55 1.04 -1.26 -1.65 113.70 115.64 3mjg s SER 187 Ca 0.06 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.43 3mjg s SER 187 Cb 0.00 -1.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.03 3mjg s SER 187 CO 0.04 0.34 -0.08 -0.31 0.98 0.00 0.00 173.24 174.21 3mjg s TYR 188 N -0.84 1.52 0.08 5.02 1.51 0.52 -0.99 117.35 124.17 3mjg s TYR 188 Ca 0.13 -0.75 -0.07 0.00 -1.01 0.00 0.00 57.07 55.37 3mjg s TYR 188 Cb -0.11 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 3mjg s TYR 188 CO 0.03 0.14 0.14 0.96 -1.11 0.00 0.00 175.55 175.70 3mjg s ILE 189 N -3.23 0.16 0.25 2.71 -4.36 -0.44 0.66 121.20 116.94 3mjg s ILE 189 Ca 0.23 -1.29 0.09 0.00 -0.26 0.00 0.00 60.65 59.42 3mjg s ILE 189 Cb 0.03 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 3mjg s ILE 189 CO 0.05 -0.71 -0.00 0.00 0.24 0.00 0.00 174.94 174.52 3mjg s LYS 191 N -3.53 0.51 0.20 0.00 2.20 -0.24 -1.80 119.74 117.08 3mjg s LYS 191 Ca 0.30 -0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 55.44 3mjg s LYS 191 Cb -0.07 -0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 35.81 3mjg s LYS 191 CO 0.20 0.10 0.27 -0.08 -0.36 0.00 0.00 175.35 175.48 3mjg s THR 192 N -0.57 0.03 -0.53 3.43 -1.32 -0.55 -1.06 115.64 115.07 3mjg s THR 192 Ca -0.02 -1.65 0.04 0.00 -1.21 0.00 0.00 61.69 58.86 3mjg s THR 192 Cb -0.05 -2.19 0.13 0.00 -1.51 0.00 0.00 72.50 68.88 3mjg s THR 192 CO 0.00 -0.12 0.27 -0.89 -2.21 0.00 0.00 174.62 171.67 3mjg s THR 193 N -4.06 2.60 -0.25 5.08 2.01 -1.26 -0.22 115.64 119.54 3mjg s THR 193 Ca 0.27 -3.37 -0.18 0.00 0.31 0.00 0.00 61.69 58.72 3mjg s THR 193 Cb 0.04 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3mjg s THR 193 CO 0.07 -0.81 0.52 -0.63 -0.69 0.00 0.00 174.62 173.08 3mjg s ILE 194 N -0.34 5.07 0.00 1.82 1.01 -0.75 -4.66 121.20 123.34 3mjg s ILE 194 Ca 0.17 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3mjg s ILE 194 Cb -0.25 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3mjg s ILE 194 CO -0.01 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3mjg n GLY 195 N 4.32 2.06 0.00 6.18 0.00 -1.26 -1.95 105.19 114.53 3mjg n GLY 195 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3mjg n GLY 195 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mjg n ASP 196 N 5.03 0.00 -4.58 1.61 4.64 -1.26 -5.11 116.55 116.88 3mjg n ASP 196 Ca 0.00 -1.00 -0.34 0.00 -1.38 0.00 0.00 54.79 52.07 3mjg n ASP 196 Cb 0.00 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 39.97 3mjg n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3mjg s ARG 197 N 0.00 3.05 0.16 -0.67 0.52 -0.83 -5.09 118.95 116.10 3mjg s ARG 197 Ca 0.00 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 3mjg s ARG 197 Cb 0.00 -2.72 -0.07 0.00 0.52 0.00 0.00 34.95 32.68 3mjg s ARG 197 CO 0.00 0.55 1.05 -1.21 0.02 0.00 0.00 175.30 175.72 3mjg s GLU 198 N -0.50 4.64 -0.02 3.54 2.02 -1.26 -1.81 118.70 125.32 3mjg s GLU 198 Ca 0.08 1.63 0.08 0.00 0.02 0.00 0.00 54.97 56.78 3mjg s GLU 198 Cb -0.12 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 3mjg s GLU 198 CO 0.02 0.14 -0.25 0.08 0.02 0.00 0.00 175.26 175.27 3mjg s VAL 199 N -0.23 1.98 -0.16 2.63 1.01 0.69 -4.95 120.40 121.37 3mjg s VAL 199 Ca 0.48 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3mjg s VAL 199 Cb -0.27 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.47 3mjg s VAL 199 CO 0.33 0.55 -0.20 -1.81 0.00 0.00 0.00 175.10 173.97 3mjg s ASP 200 N -0.61 3.20 1.13 3.32 1.01 -1.26 -1.49 116.67 121.97 3mjg s ASP 200 Ca 0.10 -0.60 -0.09 0.00 0.71 0.00 0.00 52.55 52.67 3mjg s ASP 200 Cb -0.10 -1.47 0.14 0.00 1.01 0.00 0.00 42.92 42.50 3mjg s ASP 200 CO -0.01 0.05 0.43 -1.54 0.21 0.00 0.00 175.17 174.32 3mjg n SER 201 N 4.25 -1.83 -2.67 0.27 3.41 -0.74 -4.97 113.62 111.35 3mjg n SER 201 Ca -0.20 -0.67 -0.04 0.00 -0.26 0.00 0.00 58.87 57.69 3mjg n SER 201 Cb 0.51 -0.42 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 3mjg n SER 201 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mjg n ASP 202 N -3.88 -1.20 -4.58 4.04 8.00 -1.26 -4.68 116.55 113.00 3mjg n ASP 202 Ca 0.06 -0.58 -0.34 0.00 0.71 0.00 0.00 54.79 54.64 3mjg n ASP 202 Cb 0.25 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.09 3mjg n ASP 202 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mjg s ALA 203 N -2.97 3.03 0.14 2.24 0.00 -1.26 -4.42 121.76 118.52 3mjg s ALA 203 Ca 0.10 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3mjg s ALA 203 Cb -0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3mjg s ALA 203 CO 0.08 0.48 0.07 0.71 0.00 0.00 0.00 175.76 177.10 3mjg s TYR 204 N -0.52 3.07 -0.10 0.00 1.51 0.21 -4.89 117.35 116.63 3mjg s TYR 204 Ca 0.08 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 3mjg s TYR 204 Cb -0.12 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 3mjg s TYR 204 CO 0.02 0.51 -0.09 0.71 -1.11 0.00 0.00 175.55 175.59 3mjg s TYR 205 N -1.60 1.44 0.05 2.71 1.51 -0.12 -0.35 117.35 120.99 3mjg s TYR 205 Ca 0.29 -0.66 -0.15 0.00 -1.01 0.00 0.00 57.07 55.54 3mjg s TYR 205 Cb -0.11 -1.16 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 3mjg s TYR 205 CO 0.21 -0.43 0.47 0.08 -1.11 0.00 0.00 175.55 174.77 3mjg s VAL 206 N 1.37 4.93 -0.19 0.71 1.01 -0.66 -1.35 120.40 126.23 3mjg s VAL 206 Ca -0.01 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 3mjg s VAL 206 Cb -0.14 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.58 3mjg s VAL 206 CO -0.04 0.49 0.35 -0.47 0.00 0.00 0.00 175.10 175.43 3mjg s TYR 207 N -1.18 -0.66 -0.22 5.22 6.04 -0.68 -3.80 117.35 122.07 3mjg s TYR 207 Ca 0.28 1.13 -0.06 0.00 0.04 0.00 0.00 57.07 58.46 3mjg s TYR 207 Cb -0.17 0.10 -0.03 0.00 -1.04 0.00 0.00 41.96 40.82 3mjg s TYR 207 CO 0.16 -0.50 0.04 1.03 -1.54 0.00 0.00 175.55 174.74 3mjg s ARG 208 N 2.52 3.69 0.69 4.97 0.52 -1.26 -0.83 118.95 129.26 3mjg s ARG 208 Ca 0.03 -0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.61 3mjg s ARG 208 Cb -0.13 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.15 3mjg s ARG 208 CO -0.12 -0.03 1.16 -0.51 0.02 0.00 0.00 175.30 175.81 3mjg s LEU 209 N 1.16 3.36 -0.40 2.53 2.01 0.24 -4.91 118.68 122.67 3mjg s LEU 209 Ca 0.04 2.17 -0.17 0.00 0.01 0.00 0.00 54.13 56.18 3mjg s LEU 209 Cb -0.14 -4.57 0.01 0.00 0.01 0.00 0.00 46.19 41.50 3mjg s LEU 209 CO 0.03 -1.93 0.45 -1.58 1.01 0.00 0.00 176.35 174.33 3mjg s GLN 210 N -3.99 3.25 0.10 1.70 2.00 -1.26 -4.80 119.66 116.66 3mjg s GLN 210 Ca 0.70 -0.60 0.05 0.00 -2.00 0.00 0.00 55.36 53.51 3mjg s GLN 210 Cb -0.25 -3.92 -0.04 0.00 0.80 0.00 0.00 33.01 29.61 3mjg s GLN 210 CO 0.43 -0.79 -0.12 0.54 -0.50 0.00 0.00 175.29 174.85 3mjg s VAL 211 N 2.21 1.08 -0.01 1.34 0.11 -1.26 -1.55 120.40 122.32 3mjg s VAL 211 Ca 0.14 -1.61 -0.06 0.00 -2.93 0.00 0.00 61.98 57.51 3mjg s VAL 211 Cb -0.16 -1.36 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 3mjg s VAL 211 CO 0.14 -0.47 0.27 -1.54 -3.33 0.00 0.00 175.10 170.17 3mjg n SER 212 N 0.65 -0.25 -4.77 3.54 3.41 -1.26 -4.86 113.62 110.08 3mjg n SER 212 Ca -0.17 -1.05 -0.35 0.00 -0.26 0.00 0.00 58.87 57.05 3mjg n SER 212 Cb 0.57 0.39 0.02 0.00 -0.26 0.00 0.00 64.21 64.93 3mjg n SER 212 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mjg s SER 213 N -1.61 5.46 -0.20 4.04 1.04 -1.26 -4.81 113.70 116.36 3mjg s SER 213 Ca 0.06 2.22 -0.04 0.00 0.48 0.00 0.00 55.95 58.67 3mjg s SER 213 Cb -0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 3mjg s SER 213 CO -0.00 -1.40 -0.03 -0.63 0.98 0.00 0.00 173.24 172.15 3mjg s ILE 214 N -1.80 3.66 -0.08 -1.02 1.01 -1.26 -4.80 121.20 116.91 3mjg s ILE 214 Ca 0.73 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 3mjg s ILE 214 Cb -0.25 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.60 3mjg s ILE 214 CO 0.31 0.44 -0.03 0.20 0.00 0.00 0.00 174.94 175.86 3mjg s ASN 215 N 1.04 1.76 0.03 3.58 -0.87 -1.26 -4.66 114.94 114.56 3mjg s ASN 215 Ca 0.01 -0.17 -0.18 0.00 -1.57 0.00 0.00 52.86 50.95 3mjg s ASN 215 Cb -0.15 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.25 40.43 3mjg s ASN 215 CO 0.01 -0.15 0.50 -0.69 -2.57 0.00 0.00 177.10 174.20 3mjg s VAL 216 N 1.77 4.89 -0.41 1.60 1.01 -1.26 -4.52 120.40 123.47 3mjg s VAL 216 Ca 0.03 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.10 3mjg s VAL 216 Cb -0.13 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.55 3mjg s VAL 216 CO -0.06 0.54 0.17 -0.55 0.00 0.00 0.00 175.10 175.20 3mjg s SER 217 N -0.90 4.20 0.11 3.32 0.15 -0.72 -4.76 113.70 115.09 3mjg s SER 217 Ca 0.27 -2.44 -0.07 0.00 0.70 0.00 0.00 55.95 54.41 3mjg s SER 217 Cb -0.18 -1.33 -0.06 0.00 -1.71 0.00 0.00 66.02 62.74 3mjg s SER 217 CO 0.16 -0.31 0.38 0.68 1.20 0.00 0.00 173.24 175.35 3mjg s VAL 218 N 0.54 5.14 0.32 4.45 -7.23 -1.26 -2.33 120.40 120.03 3mjg s VAL 218 Ca 0.14 0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.37 3mjg s VAL 218 Cb -0.22 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.12 3mjg s VAL 218 CO -0.06 0.16 0.70 0.21 -0.31 0.00 0.00 175.10 175.80 3mjg s ASN 219 N -2.10 -0.07 0.01 4.85 3.04 -1.14 -5.00 114.94 114.52 3mjg s ASN 219 Ca 0.37 -0.90 -0.09 0.00 0.04 0.00 0.00 52.86 52.28 3mjg s ASN 219 Cb -0.13 0.76 0.00 0.00 -1.54 0.00 0.00 41.25 40.34 3mjg s ASN 219 CO 0.21 -1.45 0.18 0.00 -3.04 0.00 0.00 177.10 173.00 3mjg s ALA 220 N -3.29 -0.39 0.49 1.71 0.00 -1.26 -1.39 121.76 117.63 3mjg s ALA 220 Ca 0.15 -0.13 0.23 0.00 0.00 0.00 0.00 51.96 52.21 3mjg s ALA 220 Cb -0.05 0.16 1.28 0.00 0.00 0.00 0.00 23.12 24.51 3mjg s ALA 220 CO 0.10 -0.26 1.92 0.28 0.00 0.00 0.00 175.76 177.80 3mjg h VAL 221 N 3.95 0.69 -1.07 0.00 2.07 -1.79 -3.41 116.25 116.70 3mjg h VAL 221 Ca -0.31 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 67.32 3mjg h VAL 221 Cb 1.19 0.50 -0.28 0.00 -1.52 0.00 0.00 31.29 31.18 3mjg h VAL 221 CO 0.43 0.03 0.47 0.00 0.02 0.00 0.00 177.57 178.53 3mjg s GLN 222 N -5.18 0.21 0.04 1.57 -2.07 -1.26 -5.04 119.66 107.93 3mjg s GLN 222 Ca -0.06 0.43 0.18 0.00 -1.82 0.00 0.00 55.36 54.08 3mjg s GLN 222 Cb 0.21 0.14 0.75 0.00 -1.09 0.00 0.00 33.01 33.01 3mjg s GLN 222 CO 0.76 -0.05 1.56 0.25 -1.32 0.00 0.00 175.29 176.49 3mjg n THR 223 N 3.95 0.85 -3.91 3.63 -2.24 -1.26 -4.43 114.28 110.87 3mjg n THR 223 Ca -0.14 0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 3mjg n THR 223 Cb 0.56 -0.95 -0.16 0.00 -2.10 0.00 0.00 70.33 67.68 3mjg n THR 223 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mjg s VAL 224 N -3.04 1.42 0.20 2.28 1.01 -1.26 -0.36 120.40 120.65 3mjg s VAL 224 Ca 0.08 -1.24 0.11 0.00 0.00 0.00 0.00 61.98 60.93 3mjg s VAL 224 Cb 0.11 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3mjg s VAL 224 CO 0.32 -0.19 -0.23 -0.69 0.00 0.00 0.00 175.10 174.31 3mjg s VAL 225 N 1.43 2.40 0.36 2.92 1.01 -0.35 -5.00 120.40 123.18 3mjg s VAL 225 Ca -0.03 -2.04 -0.04 0.00 0.00 0.00 0.00 61.98 59.87 3mjg s VAL 225 Cb -0.19 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3mjg s VAL 225 CO -0.08 -0.14 0.62 -0.13 0.00 0.00 0.00 175.10 175.38 3mjg s ARG 226 N -2.74 3.57 0.33 2.72 0.52 -1.26 -0.20 118.95 121.89 3mjg s ARG 226 Ca 0.22 -0.03 -0.28 0.00 -0.52 0.00 0.00 55.73 55.11 3mjg s ARG 226 Cb -0.08 -2.57 -0.13 0.00 0.52 0.00 0.00 34.95 32.70 3mjg s ARG 226 CO 0.10 0.07 1.23 0.00 0.02 0.00 0.00 175.30 176.73 3mjg n GLN 227 N -1.57 1.96 -1.16 3.54 10.64 0.11 -2.20 117.38 128.70 3mjg n GLN 227 Ca -0.02 0.69 -0.05 0.00 -1.83 0.00 0.00 57.00 55.78 3mjg n GLN 227 Cb 0.55 -2.22 -0.02 0.00 -0.86 0.00 0.00 30.24 27.68 3mjg n GLN 227 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3mjg n GLY 228 N 0.89 0.80 3.24 2.61 0.00 0.17 -4.87 105.19 108.02 3mjg n GLY 228 Ca 0.06 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 3mjg n GLY 228 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mjg n GLU 229 N -2.73 0.85 -3.26 1.61 1.02 -0.93 -4.32 120.64 112.87 3mjg n GLU 229 Ca -0.05 -3.08 -0.38 0.00 -0.02 0.00 0.00 57.16 53.62 3mjg n GLU 229 Cb 0.19 0.55 -0.06 0.00 -0.02 0.00 0.00 31.44 32.11 3mjg n GLU 229 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3mjg s ASN 230 N -3.64 6.83 -0.62 1.62 -0.87 -1.26 0.97 114.94 117.97 3mjg s ASN 230 Ca 0.15 0.99 -0.07 0.00 -1.57 0.00 0.00 52.86 52.37 3mjg s ASN 230 Cb -0.01 -2.32 0.16 0.00 -0.02 0.00 0.00 41.25 39.05 3mjg s ASN 230 CO 0.10 0.06 0.48 -0.63 -2.57 0.00 0.00 177.10 174.53 3mjg s ILE 231 N 0.18 4.21 -0.24 0.60 1.01 -0.73 -4.95 121.20 121.29 3mjg s ILE 231 Ca 0.29 -2.53 -0.05 0.00 0.00 0.00 0.00 60.65 58.36 3mjg s ILE 231 Cb -0.17 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3mjg s ILE 231 CO 0.14 -0.88 -0.01 0.28 0.00 0.00 0.00 174.94 174.48 3mjg s THR 232 N 0.39 3.57 0.11 2.92 -1.32 -1.26 -0.62 115.64 119.43 3mjg s THR 232 Ca 0.14 -0.52 0.08 0.00 -1.21 0.00 0.00 61.69 60.18 3mjg s THR 232 Cb -0.20 -2.69 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 3mjg s THR 232 CO -0.04 0.33 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.80 3mjg s LEU 233 N 1.49 2.85 -0.17 9.08 1.02 -0.51 -1.93 118.68 130.51 3mjg s LEU 233 Ca 0.05 -0.49 -0.02 0.00 0.02 0.00 0.00 54.13 53.70 3mjg s LEU 233 Cb -0.15 -1.67 0.05 0.00 0.02 0.00 0.00 46.19 44.43 3mjg s LEU 233 CO -0.01 0.18 -0.01 -0.04 0.02 0.00 0.00 176.35 176.49 3mjg s MET 234 N -2.18 0.98 -0.40 1.70 -1.94 -0.49 -1.05 119.30 115.92 3mjg s MET 234 Ca 0.20 -0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 53.63 3mjg s MET 234 Cb -0.11 -1.91 0.01 0.00 2.01 0.00 0.00 34.83 34.84 3mjg s MET 234 CO 0.12 -0.51 0.29 0.00 -0.01 0.00 0.00 175.02 174.91 3mjg s ILE 236 N 1.69 2.99 -0.01 0.00 1.01 -0.98 -0.53 121.20 125.37 3mjg s ILE 236 Ca 0.05 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3mjg s ILE 236 Cb -0.19 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3mjg s ILE 236 CO 0.10 0.56 -0.03 0.54 0.00 0.00 0.00 174.94 176.11 3mjg s VAL 237 N -0.20 0.29 -0.01 2.92 0.11 -0.79 -1.76 120.40 120.96 3mjg s VAL 237 Ca 0.00 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 58.98 3mjg s VAL 237 Cb -0.13 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3mjg s VAL 237 CO 0.03 0.10 -0.14 -0.51 -3.33 0.00 0.00 175.10 171.26 3mjg s ILE 238 N 0.15 1.08 0.00 7.04 2.07 -1.26 -1.82 121.20 128.47 3mjg s ILE 238 Ca -0.01 -0.58 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 3mjg s ILE 238 Cb -0.04 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.64 3mjg s ILE 238 CO -0.00 0.31 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 3mjg n GLY 239 N 2.81 3.78 3.89 1.50 0.00 -0.35 -4.82 105.19 111.99 3mjg n GLY 239 Ca -0.15 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 3mjg n GLY 239 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mjg s ASN 240 N 0.00 6.54 -0.13 1.61 -0.87 -1.26 -4.15 114.94 116.67 3mjg s ASN 240 Ca 0.00 0.66 -0.09 0.00 -1.57 0.00 0.00 52.86 51.86 3mjg s ASN 240 Cb 0.00 -2.12 -0.07 0.00 -0.02 0.00 0.00 41.25 39.04 3mjg s ASN 240 CO 0.00 0.09 0.07 -0.08 -2.57 0.00 0.00 177.10 174.61 3mjg h GLU 241 N 3.10 0.00 -4.36 -0.60 4.81 -1.65 -3.44 114.58 112.44 3mjg h GLU 241 Ca -0.47 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.03 3mjg h GLU 241 Cb 1.17 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.31 3mjg h GLU 241 CO 0.70 0.25 -0.38 0.54 -0.73 0.00 0.00 179.01 179.39 3mjg s VAL 242 N -1.95 4.82 0.15 0.32 0.11 -1.26 -5.03 120.40 117.55 3mjg s VAL 242 Ca -0.11 -1.21 0.09 0.00 -2.93 0.00 0.00 61.98 57.82 3mjg s VAL 242 Cb 0.01 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 3mjg s VAL 242 CO 0.23 -0.56 -0.20 0.68 -3.33 0.00 0.00 175.10 171.93 3mjg s VAL 243 N 1.55 1.84 -0.01 2.04 -7.23 -1.26 -4.49 120.40 112.84 3mjg s VAL 243 Ca 0.04 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 3mjg s VAL 243 Cb -0.24 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3mjg s VAL 243 CO 0.05 -0.21 0.17 0.21 -0.31 0.00 0.00 175.10 175.00 3mjg s ASN 244 N -2.43 6.29 -0.09 4.85 2.47 0.19 -4.98 114.94 121.24 3mjg s ASN 244 Ca 0.13 0.32 0.03 0.00 0.42 0.00 0.00 52.86 53.76 3mjg s ASN 244 Cb -0.07 -1.96 0.01 0.00 -1.45 0.00 0.00 41.25 37.78 3mjg s ASN 244 CO 0.06 0.26 -0.18 -0.36 -3.72 0.00 0.00 177.10 173.17 3mjg s PHE 245 N -1.31 2.06 -0.13 0.43 0.40 -1.26 -2.42 117.98 115.76 3mjg s PHE 245 Ca 0.27 -0.87 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 3mjg s PHE 245 Cb -0.13 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 42.00 3mjg s PHE 245 CO 0.18 -0.40 -0.03 -2.00 0.70 0.00 0.00 175.22 173.67 3mjg s GLU 246 N 0.64 1.09 -0.23 0.44 2.12 -0.66 -5.01 118.70 117.09 3mjg s GLU 246 Ca -0.14 -0.26 -0.13 0.00 0.36 0.00 0.00 54.97 54.81 3mjg s GLU 246 Cb -0.16 -1.62 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 3mjg s GLU 246 CO 0.04 -0.39 0.27 -1.58 -0.54 0.00 0.00 175.26 173.05 3mjg s TRP 247 N 1.79 3.33 -0.13 5.30 0.52 -1.26 -0.58 118.94 127.91 3mjg s TRP 247 Ca 0.03 0.38 0.01 0.00 0.02 0.00 0.00 56.10 56.54 3mjg s TRP 247 Cb -0.14 -2.39 -0.01 0.00 -1.15 0.00 0.00 33.47 29.78 3mjg s TRP 247 CO -0.07 0.01 -0.15 -0.08 0.02 0.00 0.00 176.95 176.68 3mjg s THR 248 N 1.24 2.80 0.28 2.01 -1.32 0.29 -5.00 115.64 115.94 3mjg s THR 248 Ca 0.12 -0.75 -0.04 0.00 -1.21 0.00 0.00 61.69 59.81 3mjg s THR 248 Cb -0.14 -2.16 0.02 0.00 -1.51 0.00 0.00 72.50 68.70 3mjg s THR 248 CO 0.06 0.53 0.44 0.00 -2.21 0.00 0.00 174.62 173.44 3mjg n TYR 249 N 3.65 -1.46 -0.00 9.09 4.11 -1.26 -0.23 117.16 131.06 3mjg n TYR 249 Ca -0.18 -1.69 -0.13 0.00 -0.00 0.00 0.00 57.90 55.89 3mjg n TYR 249 Cb 0.53 0.51 -0.10 0.00 -0.00 0.00 0.00 39.34 40.27 3mjg n TYR 249 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 3mjg h PRO 250 N 0.00 -0.04 -0.96 -3.48 0.11 -1.85 -3.29 132.00 122.49 3mjg h PRO 250 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3mjg h PRO 250 Cb 0.92 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3mjg h PRO 250 CO 0.30 0.48 0.00 -2.13 -0.21 0.00 0.00 178.00 176.44 3mjg n ARG 251 N -4.85 0.80 0.00 1.05 0.63 -1.26 -4.26 116.66 108.77 3mjg n ARG 251 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 3mjg n ARG 251 Cb 0.27 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 31.90 3mjg n ARG 251 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3mjg n LYS 252 N 0.30 0.00 -1.70 -0.14 4.81 -1.24 -4.41 118.16 115.77 3mjg n LYS 252 Ca 0.00 0.14 -0.43 0.00 -0.87 0.00 0.00 58.31 57.15 3mjg n LYS 252 Cb 0.28 -0.55 -0.03 0.00 0.02 0.00 0.00 35.03 34.76 3mjg n LYS 252 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3mjg n GLU 253 N -1.85 2.44 -3.52 1.64 4.07 -1.26 -3.25 120.64 118.92 3mjg n GLU 253 Ca 0.00 0.87 -0.17 0.00 -0.06 0.00 0.00 57.16 57.81 3mjg n GLU 253 Cb 0.00 -2.64 0.01 0.00 -0.06 0.00 0.00 31.44 28.75 3mjg n GLU 253 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3mjg n SER 254 N 2.87 -5.99 0.00 4.31 2.88 -1.26 -4.98 113.62 111.46 3mjg n SER 254 Ca 0.13 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 3mjg n SER 254 Cb 0.33 -3.23 0.00 0.00 -0.75 0.00 0.00 64.21 60.56 3mjg n SER 254 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mjg n GLY 255 N -1.71 3.29 3.65 0.46 0.00 -1.20 -5.10 105.19 104.59 3mjg n GLY 255 Ca -0.17 -0.24 -0.55 0.00 0.00 0.00 0.00 46.02 45.06 3mjg n GLY 255 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3mjg n ARG 256 N -0.79 1.31 -1.63 1.61 1.85 -1.26 -4.65 116.66 113.10 3mjg n ARG 256 Ca 0.00 0.46 -0.29 0.00 -1.00 0.00 0.00 57.85 57.02 3mjg n ARG 256 Cb 0.00 -2.25 0.14 0.00 -1.05 0.00 0.00 32.46 29.30 3mjg n ARG 256 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 3mjg s LEU 257 N 4.38 2.10 0.07 2.89 0.05 -1.26 -4.82 118.68 122.09 3mjg s LEU 257 Ca 1.00 0.79 0.04 0.00 0.05 0.00 0.00 54.13 56.00 3mjg s LEU 257 Cb -0.97 -3.04 -0.04 0.00 -2.05 0.00 0.00 46.19 40.09 3mjg s LEU 257 CO 0.60 -2.60 0.02 -0.69 -0.55 0.00 0.00 176.35 173.13 3mjg s VAL 258 N -3.41 4.17 -0.35 1.48 1.01 -1.26 -5.10 120.40 116.95 3mjg s VAL 258 Ca 0.66 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 3mjg s VAL 258 Cb -0.12 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3mjg s VAL 258 CO 0.53 0.17 0.34 -1.61 0.00 0.00 0.00 175.10 174.53 3mjg s GLU 259 N -2.17 3.52 0.63 2.72 2.02 -1.26 -5.07 118.70 119.09 3mjg s GLU 259 Ca 0.25 -0.48 -0.14 0.00 0.02 0.00 0.00 54.97 54.62 3mjg s GLU 259 Cb -0.12 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.28 3mjg s GLU 259 CO 0.18 -0.53 1.06 -1.25 0.02 0.00 0.00 175.26 174.73 3mjg s PRO 260 N 1.97 3.17 -0.24 0.39 0.04 -1.26 -4.73 135.00 134.34 3mjg s PRO 260 Ca 0.11 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.26 3mjg s PRO 260 Cb -0.17 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.42 3mjg s PRO 260 CO 0.11 -0.92 -0.05 0.08 0.04 0.00 0.00 177.00 176.26 3mjg s VAL 261 N -2.70 1.63 0.67 -0.36 1.01 -0.22 -4.93 120.40 115.49 3mjg s VAL 261 Ca 0.61 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 3mjg s VAL 261 Cb -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3mjg s VAL 261 CO 0.44 -0.13 1.05 0.28 0.00 0.00 0.00 175.10 176.75 3mjg s THR 262 N 1.34 3.81 -0.13 3.92 -1.32 -1.26 -1.65 115.64 120.35 3mjg s THR 262 Ca -0.05 0.50 -0.30 0.00 -1.21 0.00 0.00 61.69 60.64 3mjg s THR 262 Cb -0.19 -3.57 0.10 0.00 -1.51 0.00 0.00 72.50 67.33 3mjg s THR 262 CO -0.07 -0.73 0.84 -0.62 -2.21 0.00 0.00 174.62 171.84 3mjg s ASP 263 N -4.31 -0.53 -0.29 8.08 3.68 0.29 -4.93 116.67 118.65 3mjg s ASP 263 Ca 0.57 0.66 -0.07 0.00 2.13 0.00 0.00 52.55 55.84 3mjg s ASP 263 Cb -0.11 0.55 0.00 0.00 -1.45 0.00 0.00 42.92 41.91 3mjg s ASP 263 CO 0.51 -0.43 0.08 -0.36 0.13 0.00 0.00 175.17 175.10 3mjg s PHE 264 N -0.91 3.14 0.00 -5.34 0.08 -1.26 0.12 117.98 113.80 3mjg s PHE 264 Ca -0.05 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.10 3mjg s PHE 264 Cb -0.01 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 3mjg s PHE 264 CO 0.05 -0.55 0.38 1.28 -0.10 0.00 0.00 175.22 176.28 3mjg n LEU 265 N 4.88 0.88 -4.91 -0.37 4.77 0.17 -4.89 117.00 117.53 3mjg n LEU 265 Ca -0.15 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.05 3mjg n LEU 265 Cb 0.48 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3mjg n LEU 265 CO 0.31 -0.11 -0.01 -0.76 -1.33 0.00 0.00 177.39 175.50 3mjg s LEU 266 N -1.65 3.68 -0.01 2.23 1.02 -1.26 -4.98 118.68 117.71 3mjg s LEU 266 Ca 0.00 -0.44 0.05 0.00 0.02 0.00 0.00 54.13 53.76 3mjg s LEU 266 Cb 0.00 -2.38 -0.08 0.00 0.02 0.00 0.00 46.19 43.76 3mjg s LEU 266 CO 0.00 -0.46 0.13 0.47 0.02 0.00 0.00 176.35 176.51 3mjg n ASP 267 N -1.51 3.36 0.00 2.29 9.92 -1.26 -3.18 116.55 126.16 3mjg n ASP 267 Ca 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 3mjg n ASP 267 Cb 0.59 1.20 0.00 0.00 -0.64 0.00 0.00 41.12 42.28 3mjg n ASP 267 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 3mjg n MET 268 N -1.60 0.00 -2.83 -1.24 1.56 -1.26 -4.27 117.12 107.47 3mjg n MET 268 Ca -0.01 0.31 -0.43 0.00 -0.27 0.00 0.00 57.70 57.30 3mjg n MET 268 Cb 0.13 -0.86 -0.03 0.00 2.15 0.00 0.00 33.22 34.61 3mjg n MET 268 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3mjg s PRO 269 N -0.77 3.31 -0.47 2.12 0.02 -1.26 -4.93 135.00 133.02 3mjg s PRO 269 Ca 0.00 -1.11 -0.43 0.00 0.02 0.00 0.00 61.00 59.48 3mjg s PRO 269 Cb 0.00 -4.55 -0.18 0.00 0.02 0.00 0.00 34.50 29.79 3mjg s PRO 269 CO 0.00 -1.86 1.88 0.66 -0.33 0.00 0.00 177.00 177.35 3mjg n TYR 270 N 7.57 1.27 -3.72 6.54 4.02 -1.26 -4.70 117.16 126.87 3mjg n TYR 270 Ca 0.09 0.84 -0.34 0.00 -0.01 0.00 0.00 57.90 58.48 3mjg n TYR 270 Cb 0.47 -2.16 -0.09 0.00 -0.02 0.00 0.00 39.34 37.55 3mjg n TYR 270 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3mjg s HIS 271 N 4.86 3.72 -0.16 -0.72 3.76 -1.19 -1.22 115.29 124.34 3mjg s HIS 271 Ca 1.10 -3.07 -0.18 0.00 -0.15 0.00 0.00 55.06 52.76 3mjg s HIS 271 Cb -1.42 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.14 3mjg s HIS 271 CO 0.67 -0.71 0.49 0.42 -0.85 0.00 0.00 174.74 174.77 3mjg s ILE 272 N -1.15 5.15 -0.08 0.60 1.01 -0.75 0.42 121.20 126.40 3mjg s ILE 272 Ca 0.25 0.94 0.05 0.00 0.00 0.00 0.00 60.65 61.89 3mjg s ILE 272 Cb -0.09 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3mjg s ILE 272 CO -0.12 0.26 -0.24 -0.60 0.00 0.00 0.00 174.94 174.24 3mjg s ARG 273 N 1.11 2.73 -0.17 2.79 3.52 0.32 -1.88 118.95 127.37 3mjg s ARG 273 Ca 0.25 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3mjg s ARG 273 Cb -0.15 -2.19 0.01 0.00 -1.56 0.00 0.00 34.95 31.06 3mjg s ARG 273 CO 0.10 0.28 -0.16 0.45 -0.81 0.00 0.00 175.30 175.16 3mjg s SER 274 N 0.08 3.53 -0.02 -2.12 0.15 0.31 0.10 113.70 115.73 3mjg s SER 274 Ca -0.11 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.05 3mjg s SER 274 Cb -0.16 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 3mjg s SER 274 CO 0.06 0.04 -0.11 0.27 1.20 0.00 0.00 173.24 174.70 3mjg s ILE 275 N 1.05 3.31 -0.28 6.45 -5.25 -0.66 -0.07 121.20 125.75 3mjg s ILE 275 Ca -0.01 -0.78 -0.00 0.00 -0.99 0.00 0.00 60.65 58.87 3mjg s ILE 275 Cb -0.14 -2.37 0.05 0.00 2.95 0.00 0.00 42.46 42.95 3mjg s ILE 275 CO -0.05 0.49 -0.04 -0.22 -1.79 0.00 0.00 174.94 173.33 3mjg s LEU 276 N -1.09 3.70 -0.19 0.37 1.98 -0.21 -1.06 118.68 122.18 3mjg s LEU 276 Ca 0.14 -1.28 -0.05 0.00 -2.89 0.00 0.00 54.13 50.05 3mjg s LEU 276 Cb -0.11 -1.66 -0.02 0.00 0.66 0.00 0.00 46.19 45.06 3mjg s LEU 276 CO 0.04 -0.23 -0.01 -2.28 -1.89 0.00 0.00 176.35 171.98 3mjg s HIS 277 N 1.21 3.03 -0.54 5.38 5.65 -1.26 -1.43 115.29 127.33 3mjg s HIS 277 Ca -0.06 -0.45 0.04 0.00 0.25 0.00 0.00 55.06 54.84 3mjg s HIS 277 Cb -0.20 -2.05 0.14 0.00 -1.18 0.00 0.00 32.58 29.29 3mjg s HIS 277 CO -0.03 -0.21 0.30 0.42 -0.65 0.00 0.00 174.74 174.57 3mjg s ILE 278 N 0.86 2.51 0.87 0.89 1.01 0.21 -4.90 121.20 122.65 3mjg s ILE 278 Ca 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 60.65 57.14 3mjg s ILE 278 Cb -0.14 -2.73 0.11 0.00 0.01 0.00 0.00 42.46 39.71 3mjg s ILE 278 CO 0.02 -0.84 1.10 -2.16 0.00 0.00 0.00 174.94 173.05 3mjg s PRO 279 N -0.42 1.45 -1.14 2.79 0.04 -1.26 -1.77 135.00 134.68 3mjg s PRO 279 Ca 0.18 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 3mjg s PRO 279 Cb -0.22 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3mjg s PRO 279 CO -0.03 -2.19 0.79 0.43 0.04 0.00 0.00 177.00 176.04 3mjg n SER 280 N -3.89 -5.25 -4.54 6.66 7.64 -1.15 -4.76 113.62 108.34 3mjg n SER 280 Ca 0.09 -1.01 -0.42 0.00 1.01 0.00 0.00 58.87 58.53 3mjg n SER 280 Cb 0.54 -3.40 -0.05 0.00 -1.01 0.00 0.00 64.21 60.29 3mjg n SER 280 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mjg n ALA 281 N -4.18 1.19 -1.93 -0.43 0.00 0.27 -4.56 120.51 110.87 3mjg n ALA 281 Ca -0.10 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 3mjg n ALA 281 Cb 0.59 -2.90 0.18 0.00 0.00 0.00 0.00 19.45 17.33 3mjg n ALA 281 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mjg s GLU 282 N 7.19 0.68 0.00 0.00 2.02 -1.26 0.41 118.70 127.74 3mjg s GLU 282 Ca 1.04 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.64 3mjg s GLU 282 Cb -0.46 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 31.92 3mjg s GLU 282 CO 0.36 -2.39 0.00 -0.11 0.02 0.00 0.00 175.26 173.14 3mjg n LEU 283 N -3.75 0.00 0.00 1.80 7.94 -1.26 -3.90 117.00 117.82 3mjg n LEU 283 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 3mjg n LEU 283 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 3mjg n LEU 283 CO 0.46 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.12 3mjg n GLU 284 N 0.00 0.00 0.31 1.96 4.71 -1.26 -4.40 120.64 121.96 3mjg n GLU 284 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.16 57.34 3mjg n GLU 284 Cb 0.00 -2.47 1.02 0.00 -1.01 0.00 0.00 31.44 28.98 3mjg n GLU 284 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3mjg h ASP 285 N 0.00 0.00 -3.02 1.62 3.45 -1.93 -3.41 116.42 113.13 3mjg h ASP 285 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 3mjg h ASP 285 Cb 0.00 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 38.83 3mjg h ASP 285 CO 0.00 0.02 0.89 -0.55 -1.57 0.00 0.00 179.24 178.03 3mjg s SER 286 N -5.67 6.49 0.00 6.45 0.15 -1.25 -4.74 113.70 115.13 3mjg s SER 286 Ca -0.04 2.78 0.00 0.00 0.70 0.00 0.00 55.95 59.38 3mjg s SER 286 Cb 0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3mjg s SER 286 CO 0.49 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3mjg n GLY 287 N 3.10 -0.02 3.64 9.45 0.00 0.14 -4.91 105.19 116.59 3mjg n GLY 287 Ca 0.12 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 3mjg n GLY 287 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mjg s THR 288 N -3.42 5.06 -0.31 2.61 2.01 -1.26 -1.35 115.64 118.98 3mjg s THR 288 Ca 0.00 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.02 3mjg s THR 288 Cb 0.00 -3.87 0.08 0.00 0.01 0.00 0.00 72.50 68.72 3mjg s THR 288 CO 0.00 0.12 0.00 -0.31 -0.69 0.00 0.00 174.62 173.74 3mjg s TYR 289 N 1.98 3.46 -0.09 4.92 1.51 -0.59 -3.72 117.35 124.82 3mjg s TYR 289 Ca 0.24 -2.44 0.03 0.00 -1.01 0.00 0.00 57.07 53.90 3mjg s TYR 289 Cb -0.16 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 3mjg s TYR 289 CO 0.09 -0.90 -0.19 0.99 -1.11 0.00 0.00 175.55 174.44 3mjg s THR 290 N 1.08 2.60 -0.41 -0.71 2.01 0.68 -2.42 115.64 118.46 3mjg s THR 290 Ca -0.00 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 3mjg s THR 290 Cb -0.20 -2.02 0.07 0.00 0.01 0.00 0.00 72.50 70.36 3mjg s THR 290 CO -0.05 0.56 0.25 0.00 -0.69 0.00 0.00 174.62 174.69 3mjg s ASN 292 N 2.04 6.17 -0.20 0.00 2.47 0.26 -3.09 114.94 122.60 3mjg s ASN 292 Ca 0.03 -0.54 -0.07 0.00 0.42 0.00 0.00 52.86 52.70 3mjg s ASN 292 Cb -0.22 -2.20 -0.04 0.00 -1.45 0.00 0.00 41.25 37.34 3mjg s ASN 292 CO 0.03 -0.46 0.05 -0.69 -3.72 0.00 0.00 177.10 172.31 3mjg s VAL 293 N 2.01 4.53 0.01 -5.21 1.01 0.01 -1.66 120.40 121.09 3mjg s VAL 293 Ca 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3mjg s VAL 293 Cb -0.17 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 3mjg s VAL 293 CO 0.12 0.43 -0.04 0.42 0.00 0.00 0.00 175.10 176.04 3mjg s THR 294 N 0.71 0.24 -0.26 3.92 -4.23 -1.01 -1.76 115.64 113.24 3mjg s THR 294 Ca 0.03 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 3mjg s THR 294 Cb -0.13 -0.27 0.01 0.00 1.34 0.00 0.00 72.50 73.44 3mjg s THR 294 CO 0.02 -0.14 0.01 -1.83 -0.54 0.00 0.00 174.62 172.13 3mjg s GLU 295 N -0.64 3.05 0.15 3.99 4.04 -0.98 0.57 118.70 128.89 3mjg s GLU 295 Ca -0.05 -0.86 0.17 0.00 0.04 0.00 0.00 54.97 54.27 3mjg s GLU 295 Cb -0.05 -3.17 0.75 0.00 0.02 0.00 0.00 34.13 31.69 3mjg s GLU 295 CO -0.00 -0.38 1.51 0.45 -1.84 0.00 0.00 175.26 175.00 3mjg n SER 296 N 4.78 0.35 0.18 0.83 2.88 -1.26 -1.00 113.62 120.38 3mjg n SER 296 Ca -0.16 0.61 -0.15 0.00 -1.33 0.00 0.00 58.87 57.84 3mjg n SER 296 Cb 0.48 -0.67 -0.07 0.00 -0.75 0.00 0.00 64.21 63.20 3mjg n SER 296 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3mjg h VAL 297 N 0.00 0.26 0.00 2.46 2.07 -1.94 -3.41 116.25 115.70 3mjg h VAL 297 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3mjg h VAL 297 Cb 0.20 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3mjg h VAL 297 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 3mjg n ASN 298 N -5.45 0.00 0.00 0.57 4.13 -1.17 -5.08 115.26 108.26 3mjg n ASN 298 Ca -0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.17 3mjg n ASN 298 Cb 0.36 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 3mjg n ASN 298 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3mjg n ASP 299 N -0.63 0.00 -4.76 6.41 9.92 -0.17 -5.02 116.55 122.31 3mjg n ASP 299 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 3mjg n ASP 299 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 3mjg n ASP 299 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 3mjg s HIS 300 N 0.00 2.85 0.32 1.24 3.76 -1.24 -4.74 115.29 117.47 3mjg s HIS 300 Ca 0.00 1.01 0.09 0.00 -0.15 0.00 0.00 55.06 56.01 3mjg s HIS 300 Cb 0.00 -3.93 -0.06 0.00 1.11 0.00 0.00 32.58 29.70 3mjg s HIS 300 CO 0.00 -2.97 -0.10 -1.14 -0.85 0.00 0.00 174.74 169.68 3mjg s GLN 301 N -0.89 1.72 -0.21 1.40 -0.44 -1.26 -2.31 119.66 117.66 3mjg s GLN 301 Ca 0.58 -1.87 -0.29 0.00 -2.50 0.00 0.00 55.36 51.28 3mjg s GLN 301 Cb -0.45 -1.55 0.15 0.00 -1.64 0.00 0.00 33.01 29.52 3mjg s GLN 301 CO 0.50 0.14 1.13 0.34 0.50 0.00 0.00 175.29 177.90 3mjg s ASP 302 N -3.55 -0.26 -0.18 6.67 -1.08 -0.72 -4.80 116.67 112.75 3mjg s ASP 302 Ca 0.31 0.31 -0.11 0.00 -0.52 0.00 0.00 52.55 52.54 3mjg s ASP 302 Cb 0.02 0.25 0.06 0.00 -1.46 0.00 0.00 42.92 41.79 3mjg s ASP 302 CO 0.15 -0.22 0.45 -1.83 0.52 0.00 0.00 175.17 174.24 3mjg s GLU 303 N -0.93 0.46 -0.00 4.34 -1.05 -1.26 -0.81 118.70 119.44 3mjg s GLU 303 Ca 0.02 0.81 0.07 0.00 -0.15 0.00 0.00 54.97 55.72 3mjg s GLU 303 Cb -0.01 0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.71 3mjg s GLU 303 CO -0.03 -0.14 -0.23 0.15 0.95 0.00 0.00 175.26 175.97 3mjg s LYS 304 N 1.20 1.78 0.13 -4.83 -0.14 -1.18 -4.95 119.74 111.75 3mjg s LYS 304 Ca -0.08 -0.86 0.05 0.00 -1.36 0.00 0.00 55.97 53.73 3mjg s LYS 304 Cb -0.07 -1.76 -0.04 0.00 -1.68 0.00 0.00 37.83 34.28 3mjg s LYS 304 CO -0.11 0.48 -0.12 0.00 -0.76 0.00 0.00 175.35 174.84 3mjg s ALA 305 N -0.59 1.40 0.11 5.17 0.00 -1.26 -1.88 121.76 124.70 3mjg s ALA 305 Ca 0.09 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 3mjg s ALA 305 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3mjg s ALA 305 CO -0.00 0.00 0.12 0.96 0.00 0.00 0.00 175.76 176.83 3mjg s ILE 306 N -2.62 0.13 -0.10 0.00 -0.00 -1.02 -5.01 121.20 112.59 3mjg s ILE 306 Ca 0.11 -1.60 0.02 0.00 -0.00 0.00 0.00 60.65 59.18 3mjg s ILE 306 Cb -0.02 -1.70 -0.02 0.00 -0.00 0.00 0.00 42.46 40.73 3mjg s ILE 306 CO 0.02 -0.61 -0.15 0.21 -0.00 0.00 0.00 174.94 174.40 3mjg s ASN 307 N -2.95 3.87 -0.14 4.36 3.84 -1.26 -1.54 114.94 121.12 3mjg s ASN 307 Ca 0.14 -0.32 0.02 0.00 0.21 0.00 0.00 52.86 52.90 3mjg s ASN 307 Cb 0.06 -1.34 0.01 0.00 -0.55 0.00 0.00 41.25 39.43 3mjg s ASN 307 CO -0.05 0.22 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.66 3mjg s ILE 308 N 0.03 1.90 0.06 -5.21 1.01 -0.46 -4.84 121.20 113.69 3mjg s ILE 308 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3mjg s ILE 308 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3mjg s ILE 308 CO 0.04 0.52 0.12 0.28 0.00 0.00 0.00 174.94 175.91 3mjg s THR 309 N 1.01 4.86 -0.12 2.92 -1.32 0.52 -0.69 115.64 122.83 3mjg s THR 309 Ca -0.03 -0.58 0.03 0.00 -1.21 0.00 0.00 61.69 59.89 3mjg s THR 309 Cb -0.15 -3.34 0.01 0.00 -1.51 0.00 0.00 72.50 67.51 3mjg s THR 309 CO -0.05 0.16 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.63 3mjg s VAL 310 N -1.40 1.90 0.09 5.08 1.01 -1.25 -1.21 120.40 124.61 3mjg s VAL 310 Ca 0.30 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3mjg s VAL 310 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3mjg s VAL 310 CO 0.23 0.52 0.10 0.68 0.00 0.00 0.00 175.10 176.63 3mjg s VAL 311 N 0.69 4.59 -2.00 2.92 -7.23 0.73 -4.88 120.40 115.22 3mjg s VAL 311 Ca -0.11 -0.78 0.24 0.00 -1.81 0.00 0.00 61.98 59.52 3mjg s VAL 311 Cb -0.16 -3.24 0.69 0.00 0.56 0.00 0.00 36.38 34.23 3mjg s VAL 311 CO 0.02 0.09 1.81 1.21 -0.31 0.00 0.00 175.10 177.92