#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjg s VAL 34 N 0.00 5.09 -0.02 4.08 -7.23 -1.26 -4.33 120.40 116.73 3mjg s VAL 34 Ca 0.00 0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 60.98 3mjg s VAL 34 Cb 0.00 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.21 3mjg s VAL 34 CO 0.00 0.50 0.08 0.68 -0.31 0.00 0.00 175.10 176.05 3mjg s VAL 35 N -0.52 0.03 -0.11 1.32 -7.23 -0.96 -5.00 120.40 107.93 3mjg s VAL 35 Ca 0.24 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 3mjg s VAL 35 Cb -0.16 -0.19 0.01 0.00 0.56 0.00 0.00 36.38 36.61 3mjg s VAL 35 CO 0.12 -0.12 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.74 3mjg s THR 36 N -0.37 1.53 -0.41 5.32 2.01 -1.25 -2.20 115.64 120.27 3mjg s THR 36 Ca -0.04 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 3mjg s THR 36 Cb -0.03 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.11 3mjg s THR 36 CO 0.00 0.45 0.56 -2.84 -0.69 0.00 0.00 174.62 172.10 3mjg s PRO 37 N 0.93 3.35 -0.01 4.92 0.02 -0.82 -3.65 135.00 139.74 3mjg s PRO 37 Ca -0.08 -0.38 0.01 0.00 0.02 0.00 0.00 61.00 60.58 3mjg s PRO 37 Cb -0.15 -3.91 -0.02 0.00 0.02 0.00 0.00 34.50 30.44 3mjg s PRO 37 CO -0.01 -0.86 0.01 -0.35 -0.33 0.00 0.00 177.00 175.46 3mjg n PRO 38 N 5.96 3.08 0.00 5.54 -0.05 -1.26 -3.52 135.00 144.75 3mjg n PRO 38 Ca -0.04 -0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.41 3mjg n PRO 38 Cb 0.48 -1.04 0.00 0.00 -0.05 0.00 0.00 33.50 32.89 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 2.81 -1.56 0.04 0.55 0.00 -1.24 -5.07 105.19 100.72 3mjg n GLY 39 Ca -0.02 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 3mjg n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mjg n PRO 40 N -1.27 0.94 -4.42 1.61 -0.04 -1.26 -4.99 135.00 125.57 3mjg n PRO 40 Ca 0.00 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 3mjg n PRO 40 Cb 0.00 -1.18 -0.16 0.00 -0.04 0.00 0.00 33.50 32.11 3mjg n PRO 40 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3mjg s GLU 41 N -2.18 2.87 0.09 0.54 2.12 -1.26 -1.21 118.70 119.67 3mjg s GLU 41 Ca -0.10 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.52 3mjg s GLU 41 Cb 0.03 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 3mjg s GLU 41 CO 0.23 -0.10 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.17 3mjg s LEU 42 N 1.04 2.69 -0.23 2.70 1.43 0.57 -4.98 118.68 121.90 3mjg s LEU 42 Ca -0.02 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3mjg s LEU 42 Cb -0.14 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3mjg s LEU 42 CO -0.06 0.20 0.00 -0.69 0.23 0.00 0.00 176.35 176.03 3mjg s VAL 43 N -1.08 1.07 0.04 -1.59 1.01 -1.26 0.98 120.40 119.57 3mjg s VAL 43 Ca 0.17 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3mjg s VAL 43 Cb -0.11 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3mjg s VAL 43 CO 0.09 -0.23 -0.12 -0.76 0.00 0.00 0.00 175.10 174.08 3mjg s LEU 44 N 1.59 2.89 0.26 3.92 1.43 0.95 -4.96 118.68 124.76 3mjg s LEU 44 Ca -0.02 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3mjg s LEU 44 Cb -0.18 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.26 3mjg s LEU 44 CO -0.09 0.25 1.14 0.20 0.23 0.00 0.00 176.35 178.08 3mjg s ASN 45 N -1.55 7.19 0.68 2.29 0.01 -1.26 -3.84 114.94 118.45 3mjg s ASN 45 Ca 0.17 2.29 -0.17 0.00 -0.71 0.00 0.00 52.86 54.43 3mjg s ASN 45 Cb -0.11 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.88 3mjg s ASN 45 CO 0.07 -0.23 0.55 0.52 -1.51 0.00 0.00 177.10 176.50 3mjg n VAL 46 N 1.51 2.02 -0.36 1.60 0.31 -1.26 -2.04 118.33 120.11 3mjg n VAL 46 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3mjg n VAL 46 Cb 0.45 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 3mjg n VAL 46 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3mjg n SER 47 N -0.10 0.00 -3.26 4.52 3.41 0.20 -4.84 113.62 113.54 3mjg n SER 47 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.51 3mjg n SER 47 Cb 0.49 -1.82 0.15 0.00 -0.26 0.00 0.00 64.21 62.78 3mjg n SER 47 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mjg n SER 48 N 0.00 -0.76 -4.11 4.04 3.41 -0.87 -4.04 113.62 111.29 3mjg n SER 48 Ca 0.00 -1.16 -0.19 0.00 -0.26 0.00 0.00 58.87 57.27 3mjg n SER 48 Cb 0.00 -0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 63.13 3mjg n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mjg s THR 49 N -2.70 0.96 0.01 6.66 2.01 -1.26 -1.48 115.64 119.84 3mjg s THR 49 Ca 0.50 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 3mjg s THR 49 Cb -0.03 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 3mjg s THR 49 CO 0.37 -0.04 0.03 0.12 -0.69 0.00 0.00 174.62 174.41 3mjg s PHE 50 N -0.85 0.16 -0.13 4.92 5.36 -0.03 -4.99 117.98 122.43 3mjg s PHE 50 Ca -0.00 -0.34 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 3mjg s PHE 50 Cb -0.08 -0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.49 3mjg s PHE 50 CO 0.01 -0.20 -0.18 0.08 -1.46 0.00 0.00 175.22 173.46 3mjg s VAL 51 N -1.28 1.76 0.02 3.12 1.01 -1.26 -0.50 120.40 123.27 3mjg s VAL 51 Ca -0.14 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.10 3mjg s VAL 51 Cb -0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3mjg s VAL 51 CO -0.00 0.49 -0.12 -0.76 0.00 0.00 0.00 175.10 174.71 3mjg s LEU 52 N 0.96 2.91 -0.04 3.92 1.43 -1.12 -4.88 118.68 121.86 3mjg s LEU 52 Ca -0.06 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3mjg s LEU 52 Cb -0.15 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3mjg s LEU 52 CO -0.03 0.27 -0.15 -0.89 0.23 0.00 0.00 176.35 175.78 3mjg s THR 53 N -0.97 1.24 -0.01 5.49 2.01 -1.23 -2.81 115.64 119.37 3mjg s THR 53 Ca 0.16 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.58 3mjg s THR 53 Cb -0.11 -1.07 -0.00 0.00 0.01 0.00 0.00 72.50 71.33 3mjg s THR 53 CO 0.07 0.36 -0.07 0.00 -0.69 0.00 0.00 174.62 174.30 3mjg s SER 55 N -0.07 -0.04 0.39 0.00 1.04 -0.93 -0.38 113.70 113.71 3mjg s SER 55 Ca 0.01 -0.23 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 3mjg s SER 55 Cb -0.04 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.43 3mjg s SER 55 CO -0.00 -0.52 0.77 -0.83 0.98 0.00 0.00 173.24 173.64 3mjg s GLY 56 N -1.83 0.45 0.36 7.32 0.00 -0.20 -2.27 107.32 111.15 3mjg s GLY 56 Ca -0.08 -0.81 0.27 0.00 0.00 0.00 0.00 44.72 44.10 3mjg s GLY 56 CO -0.01 -0.36 1.80 1.48 0.00 0.00 0.00 173.10 176.01 3mjg h SER 57 N 2.01 0.00 -2.88 1.64 4.64 -1.83 0.90 113.55 118.03 3mjg h SER 57 Ca -0.32 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.49 3mjg h SER 57 Cb 1.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 3mjg h SER 57 CO 0.41 0.00 -0.63 0.00 -0.87 0.00 0.00 176.83 175.74 3mjg s ALA 58 N -3.38 2.48 0.97 5.18 0.00 -1.26 -4.70 121.76 121.05 3mjg s ALA 58 Ca 0.05 -2.04 -0.16 0.00 0.00 0.00 0.00 51.96 49.81 3mjg s ALA 58 Cb 0.09 0.40 -0.10 0.00 0.00 0.00 0.00 23.12 23.51 3mjg s ALA 58 CO 0.50 -0.19 -0.48 -2.30 0.00 0.00 0.00 175.76 173.29 3mjg n PRO 59 N -0.69 -0.06 -3.66 0.00 -0.02 -1.26 -4.53 135.00 124.77 3mjg n PRO 59 Ca -0.04 -0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.30 3mjg n PRO 59 Cb 0.65 -1.21 -0.07 0.00 -0.02 0.00 0.00 33.50 32.85 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 -2.09 0.05 0.08 -1.45 0.11 -1.26 -4.32 120.40 111.52 3mjg s VAL 60 Ca 0.45 -0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 59.02 3mjg s VAL 60 Cb -0.20 -0.88 -0.00 0.00 -1.53 0.00 0.00 36.38 33.77 3mjg s VAL 60 CO 0.78 -0.22 0.19 0.68 -3.33 0.00 0.00 175.10 173.21 3mjg s VAL 61 N -2.05 0.14 -0.17 2.04 -7.23 0.56 -4.69 120.40 109.00 3mjg s VAL 61 Ca -0.08 -1.16 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 3mjg s VAL 61 Cb -0.02 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 3mjg s VAL 61 CO 0.01 -0.64 0.03 0.26 -0.31 0.00 0.00 175.10 174.45 3mjg s TRP 62 N -3.77 3.19 -0.07 2.82 0.52 -1.26 0.74 118.94 121.12 3mjg s TRP 62 Ca 0.04 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.16 3mjg s TRP 62 Cb 0.04 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3mjg s TRP 62 CO -0.11 0.11 -0.12 -1.83 0.02 0.00 0.00 176.95 175.02 3mjg s GLU 63 N 0.35 1.70 -0.09 4.98 -1.05 -0.40 -3.78 118.70 120.41 3mjg s GLU 63 Ca 0.01 -0.41 0.02 0.00 -0.15 0.00 0.00 54.97 54.44 3mjg s GLU 63 Cb -0.13 -1.40 0.02 0.00 -0.44 0.00 0.00 34.13 32.17 3mjg s GLU 63 CO 0.01 0.02 -0.12 0.50 0.95 0.00 0.00 175.26 176.62 3mjg s ARG 64 N 0.67 1.82 -1.29 -4.83 6.06 -1.23 -2.03 118.95 118.12 3mjg s ARG 64 Ca -0.14 -0.42 -0.05 0.00 -2.50 0.00 0.00 55.73 52.62 3mjg s ARG 64 Cb -0.16 -1.58 0.01 0.00 0.06 0.00 0.00 34.95 33.28 3mjg s ARG 64 CO 0.04 -0.06 1.09 -1.33 -2.50 0.00 0.00 175.30 172.53 3mjg n MET 65 N 4.16 -7.24 0.00 5.12 2.81 -1.26 -2.41 117.12 118.30 3mjg n MET 65 Ca -0.20 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.52 3mjg n MET 65 Cb 0.51 -5.86 0.00 0.00 -0.71 0.00 0.00 33.22 27.17 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 -3.07 0.00 -4.03 7.83 7.64 -1.26 -4.92 113.62 115.80 3mjg n SER 66 Ca -0.14 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.44 3mjg n SER 66 Cb 0.61 -0.75 -0.16 0.00 -1.01 0.00 0.00 64.21 62.90 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 0.00 2.37 -0.19 1.43 -0.21 -1.01 -5.07 119.66 116.98 3mjg s GLN 67 Ca 0.00 -0.59 -0.35 0.00 0.02 0.00 0.00 55.36 54.44 3mjg s GLN 67 Cb 0.00 -2.14 -0.12 0.00 1.00 0.00 0.00 33.01 31.75 3mjg s GLN 67 CO 0.00 -0.22 1.95 -0.85 -2.12 0.00 0.00 175.29 174.05 3mjg n GLU 68 N 4.71 1.72 -1.81 2.91 0.28 -1.26 -3.49 120.64 123.71 3mjg n GLU 68 Ca -0.17 0.60 -0.29 0.00 -0.16 0.00 0.00 57.16 57.13 3mjg n GLU 68 Cb 0.50 -2.55 0.12 0.00 1.43 0.00 0.00 31.44 30.94 3mjg n GLU 68 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3mjg s PRO 69 N 4.64 1.49 -0.53 3.44 0.04 -1.25 -4.92 135.00 137.92 3mjg s PRO 69 Ca 0.98 0.06 -0.32 0.00 0.04 0.00 0.00 61.00 61.76 3mjg s PRO 69 Cb -0.78 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 31.74 3mjg s PRO 69 CO 0.53 -1.91 2.36 -2.30 0.04 0.00 0.00 177.00 175.71 3mjg n PRO 70 N -3.53 0.81 -4.54 0.56 -0.02 -1.26 -4.93 135.00 122.09 3mjg n PRO 70 Ca 0.09 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 3mjg n PRO 70 Cb 0.60 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 3mjg n PRO 70 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3mjg s GLN 71 N 7.32 2.18 -0.28 -0.52 -0.21 -1.26 -4.37 119.66 122.52 3mjg s GLN 71 Ca 1.13 -2.26 -0.03 0.00 0.02 0.00 0.00 55.36 54.22 3mjg s GLN 71 Cb -0.79 -1.68 0.09 0.00 1.00 0.00 0.00 33.01 31.63 3mjg s GLN 71 CO 0.44 -0.35 0.10 -1.21 -2.12 0.00 0.00 175.29 172.15 3mjg s GLU 72 N -3.93 0.44 0.38 2.91 2.02 -1.03 -4.97 118.70 114.52 3mjg s GLU 72 Ca 0.17 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 3mjg s GLU 72 Cb 0.02 -1.63 -0.03 0.00 0.10 0.00 0.00 34.13 32.59 3mjg s GLU 72 CO 0.09 -0.95 0.62 -1.64 0.02 0.00 0.00 175.26 173.40 3mjg s MET 73 N 1.88 3.51 0.09 1.61 -1.94 -1.26 -2.59 119.30 120.60 3mjg s MET 73 Ca 0.08 -0.16 -0.27 0.00 -1.71 0.00 0.00 55.69 53.63 3mjg s MET 73 Cb -0.17 -2.58 0.08 0.00 2.01 0.00 0.00 34.83 34.18 3mjg s MET 73 CO -0.28 0.05 1.05 0.00 -0.01 0.00 0.00 175.02 175.83 3mjg s ALA 74 N -2.43 -1.84 0.17 3.03 0.00 -0.87 -5.01 121.76 114.81 3mjg s ALA 74 Ca 0.42 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.84 3mjg s ALA 74 Cb -0.10 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 3mjg s ALA 74 CO 0.38 -1.01 -0.18 -1.59 0.00 0.00 0.00 175.76 173.36 3mjg s LYS 75 N -3.01 1.28 0.03 0.00 0.00 -1.26 -1.75 119.74 115.02 3mjg s LYS 75 Ca 0.12 -1.41 0.03 0.00 0.00 0.00 0.00 55.97 54.71 3mjg s LYS 75 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 37.83 36.48 3mjg s LYS 75 CO -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 175.35 175.59 3mjg s ALA 76 N -2.08 3.19 0.55 0.59 0.00 0.40 -4.97 121.76 119.44 3mjg s ALA 76 Ca 0.16 -1.02 0.25 0.00 0.00 0.00 0.00 51.96 51.34 3mjg s ALA 76 Cb -0.06 -1.23 1.45 0.00 0.00 0.00 0.00 23.12 23.29 3mjg s ALA 76 CO 0.07 0.65 2.05 0.37 0.00 0.00 0.00 175.76 178.90 3mjg h GLN 77 N 4.16 0.00 0.00 0.00 -0.00 -2.01 0.44 115.11 117.70 3mjg h GLN 77 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3mjg h GLN 77 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.65 3mjg h GLN 77 CO 0.57 0.00 0.00 -0.40 0.00 0.00 0.00 178.83 179.00 3mjg n ASP 78 N -4.22 0.00 0.00 -0.69 5.68 -1.26 -4.82 116.55 111.24 3mjg n ASP 78 Ca 0.05 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 3mjg n ASP 78 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 0.63 0.89 3.86 6.12 0.00 0.14 -5.09 105.19 111.74 3mjg n GLY 79 Ca 0.14 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 5.20 0.05 2.61 2.01 -1.18 -4.65 115.64 117.68 3mjg s THR 80 Ca 0.00 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 61.91 3mjg s THR 80 Cb 0.00 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 3mjg s THR 80 CO 0.00 0.39 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.74 3mjg s PHE 81 N -1.22 2.44 0.08 4.92 0.08 0.31 0.15 117.98 124.74 3mjg s PHE 81 Ca 0.23 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.86 3mjg s PHE 81 Cb -0.12 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 3mjg s PHE 81 CO 0.14 0.21 0.22 -1.54 -0.10 0.00 0.00 175.22 174.15 3mjg s SER 82 N -1.42 0.05 -0.07 1.36 1.04 -0.72 -1.04 113.70 112.90 3mjg s SER 82 Ca 0.13 -0.53 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 3mjg s SER 82 Cb -0.10 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.39 3mjg s SER 82 CO 0.04 -0.69 0.18 -0.55 0.98 0.00 0.00 173.24 173.20 3mjg s SER 83 N -2.63 -0.17 -0.11 7.02 0.15 0.49 -2.06 113.70 116.38 3mjg s SER 83 Ca 0.02 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.04 3mjg s SER 83 Cb 0.03 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3mjg s SER 83 CO -0.09 -0.11 -0.10 0.68 1.20 0.00 0.00 173.24 174.82 3mjg s VAL 84 N 0.67 1.19 -0.06 4.45 -7.23 -1.07 -1.52 120.40 116.83 3mjg s VAL 84 Ca -0.05 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.69 3mjg s VAL 84 Cb -0.06 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3mjg s VAL 84 CO -0.04 0.39 0.06 -1.48 -0.31 0.00 0.00 175.10 173.72 3mjg s LEU 85 N 1.49 3.86 -0.49 1.32 2.34 -1.12 -2.47 118.68 123.60 3mjg s LEU 85 Ca 0.02 0.21 -0.09 0.00 0.06 0.00 0.00 54.13 54.33 3mjg s LEU 85 Cb -0.13 -2.03 0.12 0.00 -0.56 0.00 0.00 46.19 43.60 3mjg s LEU 85 CO -0.07 0.35 0.36 -0.89 -1.06 0.00 0.00 176.35 175.04 3mjg s THR 86 N -1.02 4.20 -0.18 5.48 2.01 -1.26 -2.80 115.64 122.06 3mjg s THR 86 Ca 0.17 -1.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.00 3mjg s THR 86 Cb -0.12 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 3mjg s THR 86 CO 0.07 -0.79 1.34 -0.76 -0.69 0.00 0.00 174.62 173.79 3mjg s LEU 87 N 1.25 4.12 0.07 4.42 1.43 0.35 -4.92 118.68 125.40 3mjg s LEU 87 Ca 0.07 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.89 3mjg s LEU 87 Cb -0.25 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 3mjg s LEU 87 CO -0.01 -0.88 -0.15 -0.89 0.23 0.00 0.00 176.35 174.64 3mjg s THR 88 N 3.87 3.01 -1.10 5.49 2.01 -1.26 -0.85 115.64 126.82 3mjg s THR 88 Ca 0.59 -1.26 -0.24 0.00 0.31 0.00 0.00 61.69 61.09 3mjg s THR 88 Cb -0.22 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 69.98 3mjg s THR 88 CO 0.19 0.23 0.68 -3.20 -0.69 0.00 0.00 174.62 171.83 3mjg n ASN 89 N 1.15 -4.58 -4.67 3.53 2.85 -1.04 -4.78 115.26 107.72 3mjg n ASN 89 Ca -0.15 -1.15 -0.44 0.00 -0.11 0.00 0.00 54.58 52.73 3mjg n ASN 89 Cb 0.52 -1.98 -0.02 0.00 1.24 0.00 0.00 39.78 39.54 3mjg n ASN 89 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3mjg n LEU 90 N -4.26 3.14 -4.13 1.20 4.77 -0.55 -4.57 117.00 112.60 3mjg n LEU 90 Ca -0.16 1.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.88 3mjg n LEU 90 Cb 0.60 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.14 3mjg n LEU 90 CO 0.70 -0.61 -0.40 0.28 -1.33 0.00 0.00 177.39 176.03 3mjg s THR 91 N -0.71 0.70 0.34 -5.08 -1.32 -1.26 0.59 115.64 108.91 3mjg s THR 91 Ca 0.61 -1.52 0.14 0.00 -1.21 0.00 0.00 61.69 59.71 3mjg s THR 91 Cb -0.62 -1.17 0.34 0.00 -1.51 0.00 0.00 72.50 69.54 3mjg s THR 91 CO 0.57 -0.59 1.63 1.23 -2.21 0.00 0.00 174.62 175.26 3mjg h GLY 92 N 3.74 2.02 1.87 6.08 0.00 -1.87 0.49 103.07 115.40 3mjg h GLY 92 Ca -0.36 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3mjg h GLY 92 CO 0.52 -0.57 0.00 1.04 0.00 0.00 0.00 176.54 177.53 3mjg n LEU 93 N -5.15 0.00 -0.33 3.11 4.77 -1.26 -0.84 117.00 117.29 3mjg n LEU 93 Ca 0.32 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 56.87 3mjg n LEU 93 Cb 1.03 -0.43 0.62 0.00 -2.33 0.00 0.00 43.42 42.31 3mjg n LEU 93 CO 0.06 -0.37 0.92 0.47 -1.33 0.00 0.00 177.39 177.15 3mjg n ASP 94 N -1.43 1.02 -4.77 -1.43 8.00 0.17 -4.86 116.55 113.26 3mjg n ASP 94 Ca 0.01 -1.38 -0.39 0.00 0.71 0.00 0.00 54.79 53.74 3mjg n ASP 94 Cb 0.05 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 3mjg n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mjg s THR 95 N -1.97 2.87 -4.28 -3.53 2.01 -0.02 -4.84 115.64 105.87 3mjg s THR 95 Ca 0.39 0.73 0.00 0.00 0.31 0.00 0.00 61.69 63.13 3mjg s THR 95 Cb 0.20 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.30 3mjg s THR 95 CO 0.33 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 3mjg n GLY 96 N 0.64 0.91 3.80 4.40 0.00 0.12 -4.98 105.19 110.08 3mjg n GLY 96 Ca 0.05 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.55 4.35 -0.04 1.61 2.02 -1.26 -1.33 118.70 122.50 3mjg s GLU 97 Ca 0.00 1.22 -0.02 0.00 0.02 0.00 0.00 54.97 56.19 3mjg s GLU 97 Cb 0.00 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.83 3mjg s GLU 97 CO 0.00 0.08 0.08 0.71 0.02 0.00 0.00 175.26 176.15 3mjg s TYR 98 N -1.94 -0.02 0.18 1.61 1.51 -0.23 -4.62 117.35 113.84 3mjg s TYR 98 Ca 0.57 0.31 0.09 0.00 -1.01 0.00 0.00 57.07 57.03 3mjg s TYR 98 Cb -0.13 -0.31 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 3mjg s TYR 98 CO 0.18 -0.17 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.27 3mjg s PHE 99 N 1.71 2.59 -0.21 2.71 0.40 -0.86 -0.45 117.98 123.88 3mjg s PHE 99 Ca -0.02 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.07 3mjg s PHE 99 Cb -0.12 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 42.15 3mjg s PHE 99 CO -0.04 0.51 -0.14 0.00 0.70 0.00 0.00 175.22 176.25 3mjg s THR 101 N 1.32 1.08 -0.44 0.00 -4.23 0.23 -2.23 115.64 111.36 3mjg s THR 101 Ca 0.03 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3mjg s THR 101 Cb -0.14 -2.64 0.20 0.00 1.34 0.00 0.00 72.50 71.26 3mjg s THR 101 CO -0.09 0.00 1.06 1.41 -0.54 0.00 0.00 174.62 176.46 3mjg n HIS 102 N -0.81 0.72 -3.84 3.99 8.25 -1.26 0.21 115.22 122.47 3mjg n HIS 102 Ca -0.05 -0.55 -0.21 0.00 -0.26 0.00 0.00 57.72 56.65 3mjg n HIS 102 Cb 0.66 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 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 0.09 5.40 0.00 0.41 0.02 -1.26 -4.57 114.94 115.03 3mjg s ASN 103 Ca 0.15 -0.42 0.00 0.00 -1.02 0.00 0.00 52.86 51.58 3mjg s ASN 103 Cb 0.12 -1.09 0.00 0.00 0.02 0.00 0.00 41.25 40.31 3mjg s ASN 103 CO 0.04 -0.30 0.00 -0.90 0.02 0.00 0.00 177.10 175.96 3mjg n ASP 104 N -1.36 0.00 -0.22 -1.22 5.68 -1.26 -4.19 116.55 113.98 3mjg n ASP 104 Ca -0.03 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.40 3mjg n ASP 104 Cb 0.59 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.19 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 -0.40 0.76 -4.55 -1.12 2.03 -1.26 -5.03 116.55 106.98 3mjg n ASP 111 Ca 0.00 -0.98 -0.43 0.00 0.52 0.00 0.00 54.79 53.91 3mjg n ASP 111 Cb 0.00 -0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 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 -2.24 3.49 0.10 -0.67 8.01 -1.26 -5.00 118.70 121.12 3mjg s GLU 112 Ca 0.35 -0.05 0.02 0.00 0.01 0.00 0.00 54.97 55.29 3mjg s GLU 112 Cb 0.21 -3.90 -0.01 0.00 -4.31 0.00 0.00 34.13 26.12 3mjg s GLU 112 CO 0.42 -1.00 0.06 2.89 0.01 0.00 0.00 175.26 177.64 3mjg n ARG 113 N 6.49 0.40 -4.16 1.61 1.85 -1.26 -4.81 116.66 116.78 3mjg n ARG 113 Ca 0.01 -0.96 -0.26 0.00 -1.00 0.00 0.00 57.85 55.64 3mjg n ARG 113 Cb 0.48 0.68 -0.17 0.00 -1.05 0.00 0.00 32.46 32.41 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 -2.41 1.57 -0.05 2.89 -0.14 -0.95 -4.97 119.74 115.68 3mjg s LYS 114 Ca 0.09 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 3mjg s LYS 114 Cb 0.00 -1.49 -0.03 0.00 -1.68 0.00 0.00 37.83 34.63 3mjg s LYS 114 CO 0.06 -0.15 -0.03 -0.98 -0.76 0.00 0.00 175.35 173.49 3mjg s ARG 115 N 1.30 2.81 -0.01 1.68 1.70 -1.26 -0.50 118.95 124.67 3mjg s ARG 115 Ca -0.03 -0.53 0.05 0.00 -0.47 0.00 0.00 55.73 54.75 3mjg s ARG 115 Cb -0.14 -2.66 -0.01 0.00 -0.57 0.00 0.00 34.95 31.57 3mjg s ARG 115 CO -0.04 0.66 -0.18 -0.51 -1.08 0.00 0.00 175.30 174.16 3mjg s LEU 116 N -1.06 2.03 -0.19 -1.89 1.02 0.41 -4.93 118.68 114.07 3mjg s LEU 116 Ca 0.15 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 53.94 3mjg s LEU 116 Cb -0.11 -0.92 -0.01 0.00 0.02 0.00 0.00 46.19 45.17 3mjg s LEU 116 CO 0.04 0.22 -0.06 -0.47 0.02 0.00 0.00 176.35 176.10 3mjg s TYR 117 N -0.42 2.94 -0.15 0.29 5.04 -0.35 -1.07 117.35 123.63 3mjg s TYR 117 Ca 0.07 -0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 53.90 3mjg s TYR 117 Cb -0.07 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.18 3mjg s TYR 117 CO -0.01 -0.39 -0.04 0.42 -1.34 0.00 0.00 175.55 174.19 3mjg s ILE 118 N 1.07 3.83 -0.20 3.14 1.01 -0.44 -0.32 121.20 129.29 3mjg s ILE 118 Ca 0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 3mjg s ILE 118 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 3mjg s ILE 118 CO -0.00 0.50 -0.05 -0.36 0.00 0.00 0.00 174.94 175.02 3mjg s PHE 119 N 0.36 2.95 -0.72 3.97 0.08 0.27 -0.70 117.98 124.19 3mjg s PHE 119 Ca -0.05 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.22 3mjg s PHE 119 Cb -0.14 -2.06 0.17 0.00 -0.57 0.00 0.00 43.02 40.42 3mjg s PHE 119 CO 0.03 -0.45 0.51 0.08 -0.10 0.00 0.00 175.22 175.30 3mjg s VAL 120 N 1.22 3.06 -0.00 -0.44 1.01 -1.21 -0.03 120.40 124.00 3mjg s VAL 120 Ca 0.03 -4.17 -0.39 0.00 0.00 0.00 0.00 61.98 57.44 3mjg s VAL 120 Cb -0.14 -3.00 -0.19 0.00 0.00 0.00 0.00 36.38 33.05 3mjg s VAL 120 CO -0.01 -1.00 1.23 -2.65 0.00 0.00 0.00 175.10 172.67 3mjg n PRO 121 N 2.09 0.50 -3.29 2.72 -0.02 -0.96 -3.99 135.00 132.04 3mjg n PRO 121 Ca 0.19 0.18 -0.05 0.00 -2.02 0.00 0.00 63.50 61.80 3mjg n PRO 121 Cb 0.35 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.50 -0.20 0.50 2.55 2.15 -1.26 -4.34 116.67 116.57 3mjg s ASP 122 Ca 0.89 0.33 0.18 0.00 0.43 0.00 0.00 52.55 54.38 3mjg s ASP 122 Cb -1.15 1.40 1.23 0.00 -0.30 0.00 0.00 42.92 44.10 3mjg s ASP 122 CO 0.55 -0.30 2.06 1.55 -0.17 0.00 0.00 175.17 178.87 3mjg h PRO 123 N 8.13 0.12 0.00 4.34 0.13 -2.00 -1.17 132.00 141.56 3mjg h PRO 123 Ca -0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3mjg h PRO 123 Cb 1.15 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3mjg h PRO 123 CO 0.27 0.08 0.00 0.25 -0.23 0.00 0.00 178.00 178.37 3mjg n THR 124 N -4.47 0.30 -5.13 1.56 -2.24 -1.26 -4.66 114.28 98.39 3mjg n THR 124 Ca 0.04 0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 3mjg n THR 124 Cb 0.29 -0.83 -0.16 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.29 1.85 0.00 2.28 1.01 -0.44 -5.10 120.40 117.71 3mjg s VAL 125 Ca 0.19 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3mjg s VAL 125 Cb 0.10 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3mjg s VAL 125 CO 0.20 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3mjg n GLY 126 N 3.02 0.70 3.82 4.51 0.00 -1.26 -4.82 105.19 111.16 3mjg n GLY 126 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 1.53 3.63 0.18 1.61 0.40 -1.26 -4.23 117.98 119.84 3mjg s PHE 127 Ca 0.00 1.32 -0.32 0.00 -0.60 0.00 0.00 56.93 57.33 3mjg s PHE 127 Cb 0.00 -2.57 -0.11 0.00 0.51 0.00 0.00 43.02 40.85 3mjg s PHE 127 CO 0.00 0.35 1.63 -0.51 0.70 0.00 0.00 175.22 177.39 3mjg s LEU 128 N -2.00 4.37 0.26 -0.37 2.01 0.25 -4.92 118.68 118.27 3mjg s LEU 128 Ca 0.42 2.72 -0.30 0.00 0.01 0.00 0.00 54.13 56.99 3mjg s LEU 128 Cb -0.16 -3.60 -0.10 0.00 0.01 0.00 0.00 46.19 42.34 3mjg s LEU 128 CO 0.20 -0.89 1.35 -2.16 1.01 0.00 0.00 176.35 175.87 3mjg s PRO 129 N 1.13 4.34 0.15 1.29 0.04 -1.26 -4.72 135.00 135.97 3mjg s PRO 129 Ca 0.72 2.19 0.04 0.00 0.04 0.00 0.00 61.00 63.99 3mjg s PRO 129 Cb -0.46 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 3mjg s PRO 129 CO 0.32 -0.28 -0.09 0.54 0.04 0.00 0.00 177.00 177.52 3mjg s ASN 130 N 0.06 1.76 0.62 6.66 2.20 -1.26 -5.14 114.94 119.84 3mjg s ASN 130 Ca 0.55 -1.03 -0.18 0.00 -0.94 0.00 0.00 52.86 51.26 3mjg s ASN 130 Cb -0.39 -0.00 -0.02 0.00 -2.00 0.00 0.00 41.25 38.83 3mjg s ASN 130 CO 0.45 -0.35 1.21 -1.81 -2.94 0.00 0.00 177.10 173.65 3mjg s ASP 131 N -3.17 5.00 0.51 3.54 1.11 -1.26 -4.89 116.67 117.51 3mjg s ASP 131 Ca 0.17 2.37 0.27 0.00 0.18 0.00 0.00 52.55 55.55 3mjg s ASP 131 Cb 0.03 -2.60 1.38 0.00 1.07 0.00 0.00 42.92 42.80 3mjg s ASP 131 CO 0.01 -1.72 1.90 0.00 1.18 0.00 0.00 175.17 176.54 3mjg h ALA 132 N 0.64 2.65 -0.20 5.23 0.00 -2.00 0.38 119.26 125.94 3mjg h ALA 132 Ca -0.50 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3mjg h ALA 132 Cb 1.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3mjg h ALA 132 CO 0.54 -0.90 -0.17 1.49 0.00 0.00 0.00 179.25 180.21 3mjg h GLU 133 N 0.09 0.35 0.00 0.00 4.81 -1.92 -2.48 114.58 115.43 3mjg h GLU 133 Ca 0.41 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3mjg h GLU 133 Cb 1.49 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.83 3mjg h GLU 133 CO -0.05 0.51 -0.05 0.93 -0.73 0.00 0.00 179.01 179.63 3mjg h GLU 134 N 0.32 0.00 0.00 1.92 4.39 -0.59 -3.21 114.58 117.41 3mjg h GLU 134 Ca 0.06 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 3mjg h GLU 134 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3mjg h GLU 134 CO 0.03 0.05 -0.38 -0.07 -1.16 0.00 0.00 179.01 177.48 3mjg h LEU 135 N 0.00 0.00 -9.08 1.33 4.07 -1.33 -3.41 115.31 106.88 3mjg h LEU 135 Ca -0.00 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.34 3mjg h LEU 135 Cb 0.78 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.36 3mjg h LEU 135 CO 0.01 0.38 -0.56 -0.36 -1.08 0.00 0.00 178.44 176.82 3mjg s PHE 136 N -3.73 3.25 -0.55 1.13 0.40 -1.21 -0.33 117.98 116.94 3mjg s PHE 136 Ca -0.01 0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 3mjg s PHE 136 Cb 0.12 -2.10 0.14 0.00 0.51 0.00 0.00 43.02 41.69 3mjg s PHE 136 CO 0.69 0.13 0.35 0.42 0.70 0.00 0.00 175.22 177.51 3mjg s ILE 137 N 0.45 3.47 -0.01 0.64 1.01 0.21 -4.93 121.20 122.04 3mjg s ILE 137 Ca 0.03 -2.73 -0.24 0.00 0.00 0.00 0.00 60.65 57.72 3mjg s ILE 137 Cb -0.12 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 3mjg s ILE 137 CO 0.00 -0.81 0.73 -0.36 0.00 0.00 0.00 174.94 174.50 3mjg s PHE 138 N 0.27 3.66 0.08 3.97 0.40 -1.26 -1.56 117.98 123.54 3mjg s PHE 138 Ca 0.14 1.35 0.05 0.00 -0.60 0.00 0.00 56.93 57.87 3mjg s PHE 138 Cb -0.21 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 3mjg s PHE 138 CO -0.03 0.19 -0.13 -0.51 0.70 0.00 0.00 175.22 175.43 3mjg s LEU 139 N 0.36 2.32 -0.00 -0.37 1.43 -0.52 -4.99 118.68 116.91 3mjg s LEU 139 Ca 0.38 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3mjg s LEU 139 Cb -0.19 -0.44 -0.09 0.00 0.03 0.00 0.00 46.19 45.50 3mjg s LEU 139 CO 0.20 -0.14 0.29 0.35 0.23 0.00 0.00 176.35 177.29 3mjg n THR 140 N 1.01 0.00 -4.15 5.49 -2.24 -1.26 -0.83 114.28 112.31 3mjg n THR 140 Ca -0.19 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 3mjg n THR 140 Cb 0.55 0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 3mjg n THR 140 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3mjg s GLU 141 N -1.85 1.31 -0.25 -0.78 -1.05 -1.26 -4.87 118.70 109.95 3mjg s GLU 141 Ca 0.02 -1.54 -0.25 0.00 -0.15 0.00 0.00 54.97 53.05 3mjg s GLU 141 Cb 0.06 0.33 -0.00 0.00 -0.44 0.00 0.00 34.13 34.07 3mjg s GLU 141 CO 0.31 -0.47 0.84 0.42 0.95 0.00 0.00 175.26 177.31 3mjg s ILE 142 N -4.09 4.83 0.26 1.83 -1.09 -1.26 -5.00 121.20 116.67 3mjg s ILE 142 Ca 0.35 1.57 -0.07 0.00 -2.23 0.00 0.00 60.65 60.26 3mjg s ILE 142 Cb 0.05 -4.13 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 3mjg s ILE 142 CO 0.12 -0.09 0.47 0.35 -1.23 0.00 0.00 174.94 174.56 3mjg n THR 143 N 5.27 0.00 -1.71 2.92 -2.24 -1.26 -5.15 114.28 112.11 3mjg n THR 143 Ca 0.06 -0.83 -0.33 0.00 -2.27 0.00 0.00 64.05 60.68 3mjg n THR 143 Cb 0.47 0.69 0.05 0.00 -2.10 0.00 0.00 70.33 69.45 3mjg n THR 143 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mjg s GLU 144 N -2.21 2.74 0.02 -0.78 2.12 -1.26 -4.77 118.70 114.56 3mjg s GLU 144 Ca 0.13 1.40 -0.01 0.00 0.36 0.00 0.00 54.97 56.85 3mjg s GLU 144 Cb -0.03 -1.94 -0.02 0.00 0.26 0.00 0.00 34.13 32.40 3mjg s GLU 144 CO 0.10 -1.30 -0.01 0.42 -0.54 0.00 0.00 175.26 173.93 3mjg s ILE 145 N -2.35 0.11 -0.16 -3.70 1.01 0.70 -4.95 121.20 111.86 3mjg s ILE 145 Ca 0.67 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3mjg s ILE 145 Cb -0.21 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 41.91 3mjg s ILE 145 CO 0.42 -0.52 -0.19 -0.89 0.00 0.00 0.00 174.94 173.76 3mjg s THR 146 N -1.63 1.97 -0.54 2.92 2.01 -1.26 -1.03 115.64 118.08 3mjg s THR 146 Ca -0.14 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 60.74 3mjg s THR 146 Cb -0.08 -1.78 0.05 0.00 0.01 0.00 0.00 72.50 70.69 3mjg s THR 146 CO -0.01 0.53 0.85 -0.63 -0.69 0.00 0.00 174.62 174.66 3mjg s ILE 147 N 1.20 4.53 0.00 1.82 -1.09 0.17 -4.92 121.20 122.91 3mjg s ILE 147 Ca 0.02 0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 3mjg s ILE 147 Cb -0.14 -4.47 -0.14 0.00 -1.58 0.00 0.00 42.46 36.13 3mjg s ILE 147 CO -0.10 -1.03 2.40 -0.81 -1.23 0.00 0.00 174.94 174.17 3mjg n PRO 148 N 7.09 1.25 -2.97 2.79 -0.04 -1.26 -1.19 135.00 140.66 3mjg n PRO 148 Ca -0.01 -0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 62.51 3mjg n PRO 148 Cb 0.47 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 3.01 1.24 0.49 0.00 0.52 -1.26 -4.35 118.95 118.59 3mjg s ARG 150 Ca 0.31 -1.27 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 3mjg s ARG 150 Cb -0.14 -1.53 -0.02 0.00 0.52 0.00 0.00 34.95 33.79 3mjg s ARG 150 CO 0.15 0.35 0.11 0.14 0.02 0.00 0.00 175.30 176.07 3mjg s VAL 151 N -1.30 1.53 -0.42 3.52 -7.23 -1.26 0.84 120.40 116.07 3mjg s VAL 151 Ca 0.10 -1.86 0.23 0.00 -1.81 0.00 0.00 61.98 58.65 3mjg s VAL 151 Cb -0.09 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.46 3mjg s VAL 151 CO 0.05 0.00 1.14 0.71 -0.31 0.00 0.00 175.10 176.69 3mjg h THR 152 N 1.30 0.00 -3.08 5.32 1.35 -1.88 -3.46 112.91 112.47 3mjg h THR 152 Ca -0.42 -0.76 -0.67 0.00 -0.55 0.00 0.00 66.41 64.01 3mjg h THR 152 Cb 1.29 1.26 -0.35 0.00 -1.73 0.00 0.00 68.15 68.63 3mjg h THR 152 CO 0.71 0.00 -0.85 -0.62 -0.25 0.00 0.00 175.52 174.51 3mjg s ASP 153 N -4.79 3.18 0.00 5.36 3.68 -1.26 -2.28 116.67 120.55 3mjg s ASP 153 Ca 0.02 -0.64 0.09 0.00 2.13 0.00 0.00 52.55 54.16 3mjg s ASP 153 Cb 0.11 -1.49 0.39 0.00 -1.45 0.00 0.00 42.92 40.49 3mjg s ASP 153 CO 0.77 0.00 1.28 -2.65 0.13 0.00 0.00 175.17 174.70 3mjg n PRO 154 N 4.62 0.01 0.00 4.34 -0.02 -1.26 -2.08 135.00 140.61 3mjg n PRO 154 Ca -0.21 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 61.71 3mjg n PRO 154 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 3mjg n PRO 154 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3mjg n GLN 155 N -1.48 1.24 -2.17 -0.52 1.13 -1.26 -4.95 117.38 109.37 3mjg n GLN 155 Ca 0.02 -0.92 -0.39 0.00 -1.94 0.00 0.00 57.00 53.77 3mjg n GLN 155 Cb 0.10 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 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 -2.43 4.24 0.01 1.08 1.43 -0.88 -5.00 118.68 117.12 3mjg s LEU 156 Ca 0.17 2.53 -0.22 0.00 -1.03 0.00 0.00 54.13 55.58 3mjg s LEU 156 Cb 0.17 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3mjg s LEU 156 CO 0.56 -0.73 0.65 -0.69 0.23 0.00 0.00 176.35 176.38 3mjg s VAL 157 N -1.30 4.87 -0.03 -1.59 1.01 -1.26 -5.07 120.40 117.03 3mjg s VAL 157 Ca 0.56 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.92 3mjg s VAL 157 Cb -0.35 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.05 3mjg s VAL 157 CO 0.45 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 175.20 3mjg s VAL 158 N -0.08 0.51 0.23 2.92 1.01 -1.26 -3.95 120.40 119.78 3mjg s VAL 158 Ca 0.34 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.23 3mjg s VAL 158 Cb -0.19 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 3mjg s VAL 158 CO 0.19 0.19 -0.17 0.42 0.00 0.00 0.00 175.10 175.72 3mjg s THR 159 N 0.46 2.06 -0.10 3.92 -4.23 0.24 -4.94 115.64 113.05 3mjg s THR 159 Ca -0.06 -2.24 -0.01 0.00 -1.18 0.00 0.00 61.69 58.19 3mjg s THR 159 Cb -0.10 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 3mjg s THR 159 CO -0.00 -0.47 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.36 3mjg s LEU 160 N -3.28 3.33 0.05 4.79 0.20 -1.26 0.03 118.68 122.53 3mjg s LEU 160 Ca 0.24 0.00 -0.04 0.00 0.69 0.00 0.00 54.13 55.03 3mjg s LEU 160 Cb -0.03 -1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 3mjg s LEU 160 CO 0.10 0.31 0.05 -1.00 -0.29 0.00 0.00 176.35 175.52 3mjg s HIS 161 N -0.48 0.32 0.18 5.38 3.76 -0.12 -0.59 115.29 123.74 3mjg s HIS 161 Ca 0.08 -0.73 -0.30 0.00 -0.15 0.00 0.00 55.06 53.96 3mjg s HIS 161 Cb -0.12 -0.23 -0.08 0.00 1.11 0.00 0.00 32.58 33.27 3mjg s HIS 161 CO 0.02 -0.38 1.07 -1.21 -0.85 0.00 0.00 174.74 173.40 3mjg s GLU 162 N -3.14 4.63 0.00 1.40 2.02 -1.26 -0.95 118.70 121.40 3mjg s GLU 162 Ca -0.00 1.67 0.00 0.00 0.02 0.00 0.00 54.97 56.66 3mjg s GLU 162 Cb 0.02 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3mjg s GLU 162 CO -0.07 0.13 0.15 1.17 0.02 0.00 0.00 175.26 176.66 3mjg n LYS 163 N 2.30 0.00 -3.19 1.61 4.81 -0.70 -1.56 118.16 121.44 3mjg n LYS 163 Ca 0.02 0.15 -0.45 0.00 -0.87 0.00 0.00 58.31 57.16 3mjg n LYS 163 Cb 0.47 -0.24 -0.05 0.00 0.02 0.00 0.00 35.03 35.22 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 -2.26 3.05 0.00 1.64 -0.14 -1.26 -4.84 119.74 115.93 3mjg s LYS 164 Ca 0.00 -1.25 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 3mjg s LYS 164 Cb 0.00 -4.20 0.00 0.00 -1.68 0.00 0.00 37.83 31.95 3mjg s LYS 164 CO 0.00 -1.35 0.00 0.41 -0.76 0.00 0.00 175.35 173.65 3mjg n GLY 165 N 5.24 1.38 0.01 -3.33 0.00 -0.60 -5.07 105.19 102.82 3mjg n GLY 165 Ca -0.10 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3mjg n GLY 165 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mjg n ASP 166 N 0.00 0.34 -4.71 1.61 9.92 -1.26 -4.55 116.55 117.91 3mjg n ASP 166 Ca 0.00 -0.01 -0.41 0.00 -0.53 0.00 0.00 54.79 53.83 3mjg n ASP 166 Cb 0.00 1.92 -0.03 0.00 -0.64 0.00 0.00 41.12 42.37 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 -3.41 4.91 0.12 2.53 1.01 -1.26 -5.00 120.40 119.30 3mjg s VAL 167 Ca -0.07 1.87 -0.31 0.00 0.00 0.00 0.00 61.98 63.47 3mjg s VAL 167 Cb 0.13 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 3mjg s VAL 167 CO 0.85 0.17 1.41 0.00 0.00 0.00 0.00 175.10 177.52 3mjg s ALA 168 N 1.09 3.61 0.36 5.51 0.00 -1.26 -4.66 121.76 126.41 3mjg s ALA 168 Ca 0.47 1.15 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 3mjg s ALA 168 Cb -0.20 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.28 3mjg s ALA 168 CO 0.24 -0.63 1.00 -0.51 0.00 0.00 0.00 175.76 175.85 3mjg s LEU 169 N 1.09 4.25 -1.41 0.00 1.43 0.24 -4.95 118.68 119.33 3mjg s LEU 169 Ca 0.65 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 55.54 3mjg s LEU 169 Cb -0.38 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 41.81 3mjg s LEU 169 CO 0.30 -0.26 2.08 -0.81 0.23 0.00 0.00 176.35 177.89 3mjg n PRO 170 N 0.28 2.97 -4.70 1.29 -0.04 -1.26 -4.57 135.00 128.96 3mjg n PRO 170 Ca 0.03 -2.82 -0.28 0.00 -0.04 0.00 0.00 63.50 60.39 3mjg n PRO 170 Cb 0.50 -3.34 -0.17 0.00 -0.04 0.00 0.00 33.50 30.45 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 3.42 1.56 0.45 0.52 1.01 -1.26 -5.10 120.40 121.01 3mjg s VAL 171 Ca 0.49 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 3mjg s VAL 171 Cb 0.11 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 3mjg s VAL 171 CO -0.04 0.45 1.19 -0.81 0.00 0.00 0.00 175.10 175.89 3mjg n PRO 172 N 3.90 1.67 -4.52 2.72 -0.04 -1.26 -4.84 135.00 132.63 3mjg n PRO 172 Ca -0.20 0.60 -0.27 0.00 -0.04 0.00 0.00 63.50 63.59 3mjg n PRO 172 Cb 0.52 -2.31 -0.13 0.00 -0.04 0.00 0.00 33.50 31.54 3mjg n PRO 172 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3mjg s TYR 173 N -1.26 2.05 -0.16 0.54 5.04 -1.26 -2.68 117.35 119.62 3mjg s TYR 173 Ca 0.64 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 3mjg s TYR 173 Cb -0.50 -1.16 0.04 0.00 0.35 0.00 0.00 41.96 40.69 3mjg s TYR 173 CO 0.56 0.20 -0.02 0.34 -1.34 0.00 0.00 175.55 175.29 3mjg s ASP 174 N -1.65 2.72 0.48 4.32 -1.08 -0.82 -4.99 116.67 115.64 3mjg s ASP 174 Ca 0.10 -0.64 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 3mjg s ASP 174 Cb -0.10 -0.78 1.40 0.00 -1.46 0.00 0.00 42.92 41.99 3mjg s ASP 174 CO 0.04 -0.22 1.76 0.45 0.52 0.00 0.00 175.17 177.72 3mjg h HIS 175 N 8.17 0.00 0.09 -5.34 3.86 -1.95 0.38 115.15 120.36 3mjg h HIS 175 Ca -0.21 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.69 3mjg h HIS 175 Cb 1.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 3mjg h HIS 175 CO 0.41 0.00 -1.66 1.96 0.86 0.00 0.00 177.93 179.51 3mjg h GLN 176 N 0.00 0.19 0.00 2.45 4.20 -1.94 -3.41 115.11 116.59 3mjg h GLN 176 Ca 0.00 -0.32 -0.14 0.00 0.06 0.00 0.00 58.65 58.25 3mjg h GLN 176 Cb 0.35 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3mjg h GLN 176 CO 0.00 0.99 -1.52 0.54 -0.67 0.00 0.00 178.83 178.16 3mjg n ARG 177 N -3.36 0.90 0.00 1.46 1.74 -0.22 -4.95 116.66 112.23 3mjg n ARG 177 Ca -0.19 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3mjg n ARG 177 Cb 1.04 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 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 2.93 0.58 3.78 -0.13 0.00 0.12 -4.13 105.19 108.33 3mjg n GLY 178 Ca -0.15 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.59 3.84 -0.07 1.61 0.40 -0.34 -1.94 117.98 120.90 3mjg s PHE 179 Ca 0.00 1.48 0.02 0.00 -0.60 0.00 0.00 56.93 57.83 3mjg s PHE 179 Cb 0.00 -2.68 0.01 0.00 0.51 0.00 0.00 43.02 40.86 3mjg s PHE 179 CO 0.00 0.50 -0.13 -1.12 0.70 0.00 0.00 175.22 175.16 3mjg s SER 180 N -0.93 1.91 0.00 1.36 0.01 -1.09 0.44 113.70 115.40 3mjg s SER 180 Ca 0.34 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.27 3mjg s SER 180 Cb -0.21 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.13 3mjg s SER 180 CO 0.23 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.53 3mjg n GLY 181 N 3.81 0.86 3.48 3.44 0.00 -0.19 -4.09 105.19 112.49 3mjg n GLY 181 Ca -0.22 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.11 3.43 0.27 -0.61 -5.25 -1.26 -0.21 121.20 115.46 3mjg s ILE 182 Ca 0.00 -0.55 0.02 0.00 -0.99 0.00 0.00 60.65 59.12 3mjg s ILE 182 Cb 0.00 -2.43 -0.05 0.00 2.95 0.00 0.00 42.46 42.93 3mjg s ILE 182 CO 0.00 0.55 0.10 -0.36 -1.79 0.00 0.00 174.94 173.44 3mjg s PHE 183 N -0.19 1.60 0.49 1.37 0.08 -1.26 -5.04 117.98 115.02 3mjg s PHE 183 Ca 0.02 -1.18 0.08 0.00 0.12 0.00 0.00 56.93 55.97 3mjg s PHE 183 Cb -0.13 -0.95 0.03 0.00 -0.57 0.00 0.00 43.02 41.40 3mjg s PHE 183 CO 0.03 -0.31 0.55 -1.21 -0.10 0.00 0.00 175.22 174.17 3mjg s GLU 184 N -3.99 2.48 -1.13 0.44 2.02 -1.26 -4.99 118.70 112.26 3mjg s GLU 184 Ca 0.37 -1.60 -0.20 0.00 0.02 0.00 0.00 54.97 53.57 3mjg s GLU 184 Cb 0.08 -2.49 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3mjg s GLU 184 CO 0.14 -0.49 1.96 -0.25 0.02 0.00 0.00 175.26 176.64 3mjg n ASP 185 N -1.86 3.45 -1.75 -0.19 9.92 -1.26 -4.71 116.55 120.15 3mjg n ASP 185 Ca 0.07 -2.77 -0.04 0.00 -0.53 0.00 0.00 54.79 51.52 3mjg n ASP 185 Cb 0.62 -1.52 -0.01 0.00 -0.64 0.00 0.00 41.12 39.56 3mjg n ASP 185 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3mjg n ARG 186 N 7.42 0.65 -4.31 -1.24 1.74 -1.24 -4.85 116.66 114.82 3mjg n ARG 186 Ca 0.49 -0.59 -0.32 0.00 -0.77 0.00 0.00 57.85 56.66 3mjg n ARG 186 Cb 0.43 0.37 -0.09 0.00 -1.02 0.00 0.00 32.46 32.14 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 -1.43 4.92 0.08 0.55 1.04 -1.26 -1.26 113.70 116.35 3mjg s SER 187 Ca 0.05 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.43 3mjg s SER 187 Cb 0.00 -1.22 -0.03 0.00 0.10 0.00 0.00 66.02 64.87 3mjg s SER 187 CO 0.03 0.26 -0.12 -0.31 0.98 0.00 0.00 173.24 174.09 3mjg s TYR 188 N -1.10 1.09 0.15 5.02 1.51 0.10 -1.72 117.35 122.41 3mjg s TYR 188 Ca 0.20 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 3mjg s TYR 188 Cb -0.11 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 3mjg s TYR 188 CO 0.11 0.02 -0.11 0.96 -1.11 0.00 0.00 175.55 175.42 3mjg s ILE 189 N -1.85 1.26 0.20 2.71 -4.36 -0.12 0.22 121.20 119.25 3mjg s ILE 189 Ca 0.01 -2.05 0.09 0.00 -0.26 0.00 0.00 60.65 58.44 3mjg s ILE 189 Cb -0.07 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3mjg s ILE 189 CO 0.01 -0.70 -0.08 0.00 0.24 0.00 0.00 174.94 174.42 3mjg s LYS 191 N -2.98 0.64 0.08 0.00 2.20 0.10 -1.04 119.74 118.73 3mjg s LYS 191 Ca 0.26 -0.61 -0.16 0.00 -0.36 0.00 0.00 55.97 55.09 3mjg s LYS 191 Cb -0.08 -0.54 0.03 0.00 -1.51 0.00 0.00 37.83 35.72 3mjg s LYS 191 CO 0.16 0.13 0.38 -0.08 -0.36 0.00 0.00 175.35 175.58 3mjg s THR 192 N -0.88 0.07 -0.34 3.43 -1.32 -0.39 -0.59 115.64 115.62 3mjg s THR 192 Ca -0.03 -0.57 -0.07 0.00 -1.21 0.00 0.00 61.69 59.81 3mjg s THR 192 Cb -0.07 -1.05 0.03 0.00 -1.51 0.00 0.00 72.50 69.90 3mjg s THR 192 CO 0.01 -0.31 0.12 -0.89 -2.21 0.00 0.00 174.62 171.33 3mjg s THR 193 N -3.04 3.97 -0.37 5.08 2.01 -1.25 0.18 115.64 122.22 3mjg s THR 193 Ca -0.02 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 3mjg s THR 193 Cb 0.00 -3.20 0.05 0.00 0.01 0.00 0.00 72.50 69.37 3mjg s THR 193 CO -0.06 -0.13 0.17 -0.63 -0.69 0.00 0.00 174.62 173.27 3mjg s ILE 194 N 1.45 3.99 0.00 1.82 1.01 -0.31 -4.78 121.20 124.38 3mjg s ILE 194 Ca -0.00 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.43 3mjg s ILE 194 Cb -0.19 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3mjg s ILE 194 CO 0.03 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.28 3mjg n GLY 195 N 4.85 1.38 0.00 6.18 0.00 -1.26 -3.37 105.19 112.98 3mjg n GLY 195 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 4.41 0.23 -4.83 1.61 4.64 -1.26 -5.10 116.55 116.26 3mjg n ASP 196 Ca 0.00 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.07 3mjg n ASP 196 Cb 0.00 0.04 -0.06 0.00 -1.04 0.00 0.00 41.12 40.06 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 -0.31 4.19 0.14 -0.67 0.52 -1.22 -5.03 118.95 116.57 3mjg s ARG 197 Ca 0.00 0.90 -0.26 0.00 -0.52 0.00 0.00 55.73 55.85 3mjg s ARG 197 Cb 0.00 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 3mjg s ARG 197 CO 0.00 0.19 0.81 -1.21 0.02 0.00 0.00 175.30 175.11 3mjg s GLU 198 N -2.65 4.59 -0.02 3.54 2.02 -1.26 -1.16 118.70 123.76 3mjg s GLU 198 Ca 0.53 1.20 0.08 0.00 0.02 0.00 0.00 54.97 56.79 3mjg s GLU 198 Cb -0.13 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 3mjg s GLU 198 CO 0.18 0.46 -0.26 0.08 0.02 0.00 0.00 175.26 175.75 3mjg s VAL 199 N -0.77 2.03 -0.06 2.63 1.01 0.47 -4.91 120.40 120.78 3mjg s VAL 199 Ca 0.38 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3mjg s VAL 199 Cb -0.23 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3mjg s VAL 199 CO 0.26 0.57 -0.14 -1.81 0.00 0.00 0.00 175.10 173.98 3mjg s ASP 200 N -0.58 4.01 0.90 3.32 1.01 -1.26 -1.26 116.67 122.81 3mjg s ASP 200 Ca 0.09 -0.23 -0.14 0.00 0.71 0.00 0.00 52.55 52.99 3mjg s ASP 200 Cb -0.10 -0.99 0.16 0.00 1.01 0.00 0.00 42.92 43.00 3mjg s ASP 200 CO -0.01 0.31 1.26 -0.94 0.21 0.00 0.00 175.17 176.00 3mjg s SER 201 N -0.52 3.57 0.79 0.27 1.04 -0.21 -4.93 113.70 113.72 3mjg s SER 201 Ca 0.07 0.36 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 3mjg s SER 201 Cb -0.12 -0.55 0.06 0.00 0.10 0.00 0.00 66.02 65.52 3mjg s SER 201 CO 0.02 -2.45 1.09 -1.81 0.98 0.00 0.00 173.24 171.06 3mjg s ASP 202 N -4.80 4.53 0.17 7.02 1.01 -1.26 -4.68 116.67 118.67 3mjg s ASP 202 Ca 0.70 1.50 -0.27 0.00 0.71 0.00 0.00 52.55 55.19 3mjg s ASP 202 Cb -0.06 -2.26 -0.08 0.00 1.01 0.00 0.00 42.92 41.54 3mjg s ASP 202 CO 0.51 -1.97 0.84 0.00 0.21 0.00 0.00 175.17 174.77 3mjg s ALA 203 N -3.05 3.39 -0.01 5.23 0.00 -1.26 -4.54 121.76 121.52 3mjg s ALA 203 Ca 0.61 0.45 0.02 0.00 0.00 0.00 0.00 51.96 53.03 3mjg s ALA 203 Cb -0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3mjg s ALA 203 CO 0.55 0.21 -0.03 0.71 0.00 0.00 0.00 175.76 177.20 3mjg s TYR 204 N -0.91 3.00 -0.18 0.00 1.51 0.13 -4.88 117.35 116.03 3mjg s TYR 204 Ca 0.39 0.04 -0.00 0.00 -1.01 0.00 0.00 57.07 56.49 3mjg s TYR 204 Cb -0.24 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3mjg s TYR 204 CO 0.28 0.42 -0.16 0.71 -1.11 0.00 0.00 175.55 175.69 3mjg s TYR 205 N -1.02 2.81 -0.14 2.71 1.51 0.55 0.02 117.35 123.79 3mjg s TYR 205 Ca 0.18 -1.34 -0.19 0.00 -1.01 0.00 0.00 57.07 54.71 3mjg s TYR 205 Cb -0.11 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3mjg s TYR 205 CO 0.08 -0.66 0.51 0.08 -1.11 0.00 0.00 175.55 174.45 3mjg s VAL 206 N 1.18 5.15 -0.23 0.71 1.01 -0.39 -0.62 120.40 127.21 3mjg s VAL 206 Ca 0.02 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 3mjg s VAL 206 Cb -0.14 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.49 3mjg s VAL 206 CO -0.07 0.28 0.16 -0.47 0.00 0.00 0.00 175.10 175.00 3mjg s TYR 207 N 0.93 0.03 -0.43 5.22 6.04 -0.60 -3.72 117.35 124.82 3mjg s TYR 207 Ca 0.26 -0.35 -0.21 0.00 0.04 0.00 0.00 57.07 56.81 3mjg s TYR 207 Cb -0.15 -0.65 0.02 0.00 -1.04 0.00 0.00 41.96 40.14 3mjg s TYR 207 CO 0.11 -0.69 0.67 1.03 -1.54 0.00 0.00 175.55 175.13 3mjg s ARG 208 N 2.20 3.35 0.68 4.97 0.52 -1.26 -1.44 118.95 127.97 3mjg s ARG 208 Ca 0.06 -0.26 -0.16 0.00 -0.52 0.00 0.00 55.73 54.85 3mjg s ARG 208 Cb -0.16 -3.93 0.01 0.00 0.52 0.00 0.00 34.95 31.39 3mjg s ARG 208 CO -0.22 -1.00 1.17 -0.51 0.02 0.00 0.00 175.30 174.76 3mjg s LEU 209 N 2.92 3.40 -0.22 2.53 2.01 -0.01 -4.93 118.68 124.38 3mjg s LEU 209 Ca 0.24 2.24 -0.20 0.00 0.01 0.00 0.00 54.13 56.43 3mjg s LEU 209 Cb -0.14 -4.58 -0.02 0.00 0.01 0.00 0.00 46.19 41.46 3mjg s LEU 209 CO 0.19 -1.94 0.60 -1.58 1.01 0.00 0.00 176.35 174.64 3mjg s GLN 210 N -3.87 4.17 0.09 1.70 2.00 -1.26 -4.77 119.66 117.72 3mjg s GLN 210 Ca 0.72 0.54 0.02 0.00 -2.00 0.00 0.00 55.36 54.65 3mjg s GLN 210 Cb -0.26 -3.60 -0.04 0.00 0.80 0.00 0.00 33.01 29.91 3mjg s GLN 210 CO 0.42 -0.28 -0.08 0.54 -0.50 0.00 0.00 175.29 175.39 3mjg s VAL 211 N 2.07 0.72 -0.04 1.34 0.11 -1.23 -2.23 120.40 121.14 3mjg s VAL 211 Ca 0.27 -1.67 -0.20 0.00 -2.93 0.00 0.00 61.98 57.45 3mjg s VAL 211 Cb -0.16 -1.36 0.06 0.00 -1.53 0.00 0.00 36.38 33.40 3mjg s VAL 211 CO 0.10 -0.68 0.89 -1.54 -3.33 0.00 0.00 175.10 170.53 3mjg n SER 212 N 0.44 -0.74 -4.78 3.54 3.41 -1.25 -4.84 113.62 109.41 3mjg n SER 212 Ca -0.15 -1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 57.04 3mjg n SER 212 Cb 0.59 1.13 0.02 0.00 -0.26 0.00 0.00 64.21 65.68 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 -2.95 5.51 -0.08 4.04 1.04 -1.26 -4.83 113.70 115.17 3mjg s SER 213 Ca 0.21 1.97 -0.01 0.00 0.48 0.00 0.00 55.95 58.60 3mjg s SER 213 Cb -0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 3mjg s SER 213 CO -0.01 -1.36 -0.03 -0.63 0.98 0.00 0.00 173.24 172.20 3mjg s ILE 214 N -2.25 4.07 -0.27 -1.02 1.01 -1.26 -4.83 121.20 116.64 3mjg s ILE 214 Ca 0.67 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3mjg s ILE 214 Cb -0.19 -2.70 0.15 0.00 0.01 0.00 0.00 42.46 39.73 3mjg s ILE 214 CO 0.36 0.60 0.42 0.54 0.00 0.00 0.00 174.94 176.85 3mjg s ASN 215 N -0.79 0.15 0.57 3.58 4.22 -1.26 -4.80 114.94 116.62 3mjg s ASN 215 Ca 0.12 -0.06 -0.18 0.00 -2.14 0.00 0.00 52.86 50.59 3mjg s ASN 215 Cb -0.11 1.21 -0.05 0.00 1.28 0.00 0.00 41.25 43.58 3mjg s ASN 215 CO 0.02 -0.33 1.12 -0.69 -2.04 0.00 0.00 177.10 175.19 3mjg s VAL 216 N 2.57 3.20 -0.12 3.54 1.01 -1.26 -4.66 120.40 124.68 3mjg s VAL 216 Ca 0.11 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 3mjg s VAL 216 Cb -0.14 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.04 3mjg s VAL 216 CO -0.24 -0.21 0.07 -0.55 0.00 0.00 0.00 175.10 174.17 3mjg s SER 217 N -1.97 1.94 0.14 3.32 0.15 -1.05 -4.91 113.70 111.32 3mjg s SER 217 Ca 0.71 -0.36 0.10 0.00 0.70 0.00 0.00 55.95 57.10 3mjg s SER 217 Cb -0.23 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 3mjg s SER 217 CO 0.30 -0.30 -0.23 0.68 1.20 0.00 0.00 173.24 174.89 3mjg s VAL 218 N 2.11 2.03 0.31 4.45 -7.23 -1.25 -0.96 120.40 119.87 3mjg s VAL 218 Ca 0.03 -1.75 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 3mjg s VAL 218 Cb -0.15 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.97 3mjg s VAL 218 CO -0.07 -0.05 0.67 0.21 -0.31 0.00 0.00 175.10 175.55 3mjg s ASN 219 N -2.19 -0.03 0.11 4.85 3.04 -0.31 -4.95 114.94 115.47 3mjg s ASN 219 Ca 0.13 -0.93 0.03 0.00 0.04 0.00 0.00 52.86 52.13 3mjg s ASN 219 Cb -0.09 0.73 -0.04 0.00 -1.54 0.00 0.00 41.25 40.31 3mjg s ASN 219 CO 0.06 -1.41 -0.08 0.00 -3.04 0.00 0.00 177.10 172.64 3mjg s ALA 220 N -3.37 1.13 0.46 1.71 0.00 -1.26 0.33 121.76 120.76 3mjg s ALA 220 Ca 0.17 -1.39 0.20 0.00 0.00 0.00 0.00 51.96 50.93 3mjg s ALA 220 Cb -0.04 0.12 1.24 0.00 0.00 0.00 0.00 23.12 24.44 3mjg s ALA 220 CO 0.10 -0.19 2.06 0.28 0.00 0.00 0.00 175.76 178.01 3mjg h VAL 221 N 2.92 0.91 -1.20 0.00 2.07 -1.54 -3.43 116.25 115.98 3mjg h VAL 221 Ca -0.36 -0.48 0.18 0.00 0.82 0.00 0.00 66.70 66.86 3mjg h VAL 221 Cb 1.17 1.27 -0.31 0.00 -1.52 0.00 0.00 31.29 31.91 3mjg h VAL 221 CO 0.64 0.13 0.60 0.00 0.02 0.00 0.00 177.57 178.96 3mjg s GLN 222 N -4.56 0.17 0.48 1.57 -2.07 -1.26 -5.05 119.66 108.93 3mjg s GLN 222 Ca -0.04 0.30 0.27 0.00 -1.82 0.00 0.00 55.36 54.06 3mjg s GLN 222 Cb 0.15 0.04 1.07 0.00 -1.09 0.00 0.00 33.01 33.18 3mjg s GLN 222 CO 0.65 -0.04 1.88 1.79 -1.32 0.00 0.00 175.29 178.25 3mjg h THR 223 N 5.01 0.40 -3.78 3.63 1.35 -1.90 -3.40 112.91 114.23 3mjg h THR 223 Ca -0.26 -0.92 -0.66 0.00 -0.55 0.00 0.00 66.41 64.02 3mjg h THR 223 Cb 1.17 1.67 -0.38 0.00 -1.73 0.00 0.00 68.15 68.88 3mjg h THR 223 CO 0.21 0.15 -0.78 -0.69 -0.25 0.00 0.00 175.52 174.17 3mjg s VAL 224 N -3.69 2.09 0.31 6.82 1.01 -1.26 -1.94 120.40 123.74 3mjg s VAL 224 Ca 0.01 -1.78 0.10 0.00 0.00 0.00 0.00 61.98 60.31 3mjg s VAL 224 Cb 0.10 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3mjg s VAL 224 CO 0.61 -0.21 -0.02 -0.69 0.00 0.00 0.00 175.10 174.79 3mjg s VAL 225 N 1.09 2.87 0.17 2.92 1.01 -0.87 -5.02 120.40 122.58 3mjg s VAL 225 Ca -0.03 -2.01 0.07 0.00 0.00 0.00 0.00 61.98 60.01 3mjg s VAL 225 Cb -0.20 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3mjg s VAL 225 CO -0.06 -0.28 0.03 -0.13 0.00 0.00 0.00 175.10 174.66 3mjg s ARG 226 N -3.68 2.53 0.32 2.72 0.52 -1.26 -0.80 118.95 119.30 3mjg s ARG 226 Ca 0.33 -1.05 -0.25 0.00 -0.52 0.00 0.00 55.73 54.25 3mjg s ARG 226 Cb -0.03 -2.43 -0.15 0.00 0.52 0.00 0.00 34.95 32.86 3mjg s ARG 226 CO 0.19 0.46 0.45 0.94 0.02 0.00 0.00 175.30 177.36 3mjg n GLN 227 N -0.18 0.28 -0.77 3.54 0.00 0.34 -1.86 117.38 118.73 3mjg n GLN 227 Ca -0.09 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 3mjg n GLN 227 Cb 0.55 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.58 3mjg n GLN 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mjg n GLY 228 N 1.97 0.43 4.02 1.69 0.00 0.06 -4.91 105.19 108.45 3mjg n GLY 228 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 3mjg n GLY 228 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mjg s GLU 229 N -0.61 2.52 0.43 1.61 2.02 -0.78 -4.12 118.70 119.77 3mjg s GLU 229 Ca 0.00 -1.48 -0.16 0.00 0.02 0.00 0.00 54.97 53.35 3mjg s GLU 229 Cb 0.00 -2.69 -0.08 0.00 0.10 0.00 0.00 34.13 31.45 3mjg s GLU 229 CO 0.00 -0.61 0.88 -0.80 0.02 0.00 0.00 175.26 174.74 3mjg s ASN 230 N -4.53 6.71 -0.05 -0.19 -0.87 -1.26 0.19 114.94 114.93 3mjg s ASN 230 Ca 0.59 1.44 0.04 0.00 -1.57 0.00 0.00 52.86 53.35 3mjg s ASN 230 Cb -0.07 -2.45 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 3mjg s ASN 230 CO 0.36 -0.41 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.69 3mjg s ILE 231 N -2.33 1.36 -0.16 0.60 1.01 0.18 -4.86 121.20 116.99 3mjg s ILE 231 Ca 0.57 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 3mjg s ILE 231 Cb -0.10 -1.19 0.07 0.00 0.01 0.00 0.00 42.46 41.25 3mjg s ILE 231 CO 0.24 0.40 0.35 0.28 0.00 0.00 0.00 174.94 176.21 3mjg s THR 232 N 0.23 -0.32 0.31 2.92 -1.32 -1.26 0.64 115.64 116.84 3mjg s THR 232 Ca -0.08 0.17 0.11 0.00 -1.21 0.00 0.00 61.69 60.68 3mjg s THR 232 Cb -0.13 -0.56 -0.06 0.00 -1.51 0.00 0.00 72.50 70.25 3mjg s THR 232 CO 0.03 0.07 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.60 3mjg s LEU 233 N 2.01 2.67 -0.01 9.08 1.02 -0.03 -1.18 118.68 132.24 3mjg s LEU 233 Ca -0.04 -1.09 0.02 0.00 0.02 0.00 0.00 54.13 53.04 3mjg s LEU 233 Cb -0.11 -1.08 -0.00 0.00 0.02 0.00 0.00 46.19 45.02 3mjg s LEU 233 CO -0.11 -0.06 -0.07 -0.04 0.02 0.00 0.00 176.35 176.08 3mjg s MET 234 N -3.56 0.62 -0.10 1.70 -1.94 0.15 -1.07 119.30 115.10 3mjg s MET 234 Ca 0.31 -0.26 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 3mjg s MET 234 Cb -0.02 -0.60 0.02 0.00 2.01 0.00 0.00 34.83 36.24 3mjg s MET 234 CO 0.16 0.15 -0.12 0.00 -0.01 0.00 0.00 175.02 175.21 3mjg s ILE 236 N 1.24 1.06 0.04 0.00 1.01 -0.13 0.53 121.20 124.94 3mjg s ILE 236 Ca -0.03 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3mjg s ILE 236 Cb -0.14 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 3mjg s ILE 236 CO -0.04 0.35 -0.17 0.54 0.00 0.00 0.00 174.94 175.62 3mjg s VAL 237 N 0.99 1.37 0.05 2.92 0.11 -0.44 -2.54 120.40 122.86 3mjg s VAL 237 Ca -0.09 -1.08 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 3mjg s VAL 237 Cb -0.15 -1.21 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 3mjg s VAL 237 CO -0.00 0.11 -0.13 -0.51 -3.33 0.00 0.00 175.10 171.24 3mjg s ILE 238 N -0.81 1.01 0.00 7.04 2.07 -1.26 -1.46 121.20 127.80 3mjg s ILE 238 Ca 0.04 -1.10 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 3mjg s ILE 238 Cb -0.08 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.55 3mjg s ILE 238 CO 0.01 -0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 3mjg n GLY 239 N 1.64 1.12 3.48 1.50 0.00 0.36 -4.79 105.19 108.49 3mjg n GLY 239 Ca -0.20 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.57 4.23 0.20 1.61 -0.87 -1.26 -3.48 114.94 114.80 3mjg s ASN 240 Ca 0.00 -0.18 0.04 0.00 -1.57 0.00 0.00 52.86 51.15 3mjg s ASN 240 Cb 0.00 -1.19 0.12 0.00 -0.02 0.00 0.00 41.25 40.17 3mjg s ASN 240 CO 0.00 0.29 1.47 -0.08 -2.57 0.00 0.00 177.10 176.21 3mjg h GLU 241 N 5.76 0.20 -4.23 -0.60 4.81 -1.80 -3.44 114.58 115.28 3mjg h GLU 241 Ca -0.41 -0.17 -0.45 0.00 -0.13 0.00 0.00 59.36 58.20 3mjg h GLU 241 Cb 1.18 0.04 -0.34 0.00 0.63 0.00 0.00 28.75 30.26 3mjg h GLU 241 CO 0.53 0.85 -0.79 0.54 -0.73 0.00 0.00 179.01 179.41 3mjg s VAL 242 N -3.46 0.78 0.06 0.32 0.11 -1.26 -5.06 120.40 111.88 3mjg s VAL 242 Ca -0.03 -0.26 -0.15 0.00 -2.93 0.00 0.00 61.98 58.61 3mjg s VAL 242 Cb 0.11 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 3mjg s VAL 242 CO 0.81 0.28 0.33 0.68 -3.33 0.00 0.00 175.10 173.87 3mjg s VAL 243 N 0.84 0.08 -0.22 2.04 -7.23 -1.26 -4.58 120.40 110.07 3mjg s VAL 243 Ca -0.12 -0.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.34 3mjg s VAL 243 Cb -0.15 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 3mjg s VAL 243 CO 0.01 -0.36 0.02 0.21 -0.31 0.00 0.00 175.10 174.68 3mjg s ASN 244 N -2.18 4.93 -0.16 4.85 2.47 0.57 -4.96 114.94 120.45 3mjg s ASN 244 Ca -0.04 -0.20 -0.10 0.00 0.42 0.00 0.00 52.86 52.94 3mjg s ASN 244 Cb -0.00 -1.86 -0.05 0.00 -1.45 0.00 0.00 41.25 37.89 3mjg s ASN 244 CO -0.05 0.03 0.18 -0.36 -3.72 0.00 0.00 177.10 173.19 3mjg s PHE 245 N 1.18 3.49 -0.11 0.43 0.40 -1.26 -0.90 117.98 121.21 3mjg s PHE 245 Ca 0.03 0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.83 3mjg s PHE 245 Cb -0.14 -2.14 0.03 0.00 0.51 0.00 0.00 43.02 41.27 3mjg s PHE 245 CO 0.02 0.42 -0.06 -2.00 0.70 0.00 0.00 175.22 174.30 3mjg s GLU 246 N -0.08 1.36 -0.26 0.44 2.12 0.15 -4.98 118.70 117.45 3mjg s GLU 246 Ca 0.13 -0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.18 3mjg s GLU 246 Cb -0.12 -1.50 -0.02 0.00 0.26 0.00 0.00 34.13 32.75 3mjg s GLU 246 CO 0.02 -0.28 0.07 -1.58 -0.54 0.00 0.00 175.26 172.95 3mjg s TRP 247 N 1.75 3.09 -0.11 5.30 0.52 -1.26 0.67 118.94 128.91 3mjg s TRP 247 Ca 0.05 -0.59 -0.02 0.00 0.02 0.00 0.00 56.10 55.56 3mjg s TRP 247 Cb -0.13 -2.24 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 3mjg s TRP 247 CO -0.08 -0.43 -0.04 -0.08 0.02 0.00 0.00 176.95 176.34 3mjg s THR 248 N 1.58 3.93 0.11 2.01 -1.32 -0.62 -4.97 115.64 116.36 3mjg s THR 248 Ca 0.05 -0.37 -0.25 0.00 -1.21 0.00 0.00 61.69 59.91 3mjg s THR 248 Cb -0.16 -2.66 0.07 0.00 -1.51 0.00 0.00 72.50 68.24 3mjg s THR 248 CO 0.03 0.56 0.76 -0.72 -2.21 0.00 0.00 174.62 173.04 3mjg s TYR 249 N -0.33 -0.37 0.02 9.09 1.13 -1.26 -0.71 117.35 124.91 3mjg s TYR 249 Ca 0.06 0.15 -0.04 0.00 -1.41 0.00 0.00 57.07 55.82 3mjg s TYR 249 Cb -0.12 0.58 -0.01 0.00 -1.10 0.00 0.00 41.96 41.31 3mjg s TYR 249 CO 0.02 -0.79 1.07 -1.35 -2.51 0.00 0.00 175.55 172.00 3mjg h PRO 250 N 2.00 -0.02 0.00 -3.49 0.11 -1.85 -1.06 132.00 127.69 3mjg h PRO 250 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3mjg h PRO 250 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mjg h PRO 250 CO 0.32 -0.01 0.00 -2.13 -0.21 0.00 0.00 178.00 175.97 3mjg n ARG 251 N -3.22 0.00 0.00 1.05 0.63 -1.26 -3.83 116.66 110.03 3mjg n ARG 251 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3mjg n ARG 251 Cb 0.04 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.45 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 -0.78 0.00 -1.68 -0.14 4.81 -0.40 -4.30 118.16 115.67 3mjg n LYS 252 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.98 3mjg n LYS 252 Cb 0.00 -0.59 -0.04 0.00 0.02 0.00 0.00 35.03 34.42 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 -0.49 2.32 -2.89 1.64 4.07 -1.25 -3.32 120.64 120.72 3mjg n GLU 253 Ca 0.00 0.84 -0.05 0.00 -0.06 0.00 0.00 57.16 57.90 3mjg n GLU 253 Cb 0.00 -2.67 0.01 0.00 -0.06 0.00 0.00 31.44 28.71 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 5.17 -7.58 0.00 4.31 2.88 -1.26 -5.00 113.62 112.14 3mjg n SER 254 Ca 0.19 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 3mjg n SER 254 Cb 0.31 -4.40 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 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 0.53 3.87 2.60 0.46 0.00 -1.21 -5.00 105.19 106.45 3mjg n GLY 255 Ca 0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 0.00 -2.58 1.61 1.85 -1.26 -4.39 116.66 111.88 3mjg n ARG 256 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 3mjg n ARG 256 Cb 0.00 -1.09 0.03 0.00 -1.05 0.00 0.00 32.46 30.35 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 0.15 3.30 -0.11 2.89 0.05 -1.26 -4.66 118.68 119.04 3mjg s LEU 257 Ca 0.66 0.43 -0.04 0.00 0.05 0.00 0.00 54.13 55.23 3mjg s LEU 257 Cb -0.93 -3.25 -0.04 0.00 -2.05 0.00 0.00 46.19 39.92 3mjg s LEU 257 CO 0.42 -1.04 0.04 -0.69 -0.55 0.00 0.00 176.35 174.53 3mjg s VAL 258 N -2.86 4.66 -0.30 1.48 1.01 -1.26 -5.08 120.40 118.05 3mjg s VAL 258 Ca 0.54 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 3mjg s VAL 258 Cb -0.10 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3mjg s VAL 258 CO 0.42 0.58 0.61 -1.61 0.00 0.00 0.00 175.10 175.10 3mjg s GLU 259 N -0.69 3.92 0.87 2.72 2.02 -1.26 -5.03 118.70 121.25 3mjg s GLU 259 Ca 0.12 0.29 -0.12 0.00 0.02 0.00 0.00 54.97 55.28 3mjg s GLU 259 Cb -0.12 -3.72 0.11 0.00 0.10 0.00 0.00 34.13 30.51 3mjg s GLU 259 CO 0.02 -0.54 1.12 -1.25 0.02 0.00 0.00 175.26 174.64 3mjg s PRO 260 N 2.55 1.50 -0.12 0.39 0.04 -1.26 -4.72 135.00 133.37 3mjg s PRO 260 Ca 0.24 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.76 3mjg s PRO 260 Cb -0.15 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3mjg s PRO 260 CO 0.11 -1.98 -0.15 0.08 0.04 0.00 0.00 177.00 175.09 3mjg s VAL 261 N -3.20 1.55 0.10 -0.36 1.01 -0.56 -4.94 120.40 113.99 3mjg s VAL 261 Ca 0.63 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3mjg s VAL 261 Cb -0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3mjg s VAL 261 CO 0.54 0.45 0.23 0.28 0.00 0.00 0.00 175.10 176.60 3mjg s THR 262 N 1.11 5.30 0.06 3.92 -1.32 -1.26 -0.74 115.64 122.71 3mjg s THR 262 Ca -0.04 -0.55 -0.05 0.00 -1.21 0.00 0.00 61.69 59.85 3mjg s THR 262 Cb -0.14 -3.65 -0.02 0.00 -1.51 0.00 0.00 72.50 67.18 3mjg s THR 262 CO -0.04 0.04 0.09 -0.62 -2.21 0.00 0.00 174.62 171.88 3mjg s ASP 263 N -2.81 0.27 -0.24 8.08 3.68 0.18 -4.98 116.67 120.84 3mjg s ASP 263 Ca 0.34 -0.75 0.02 0.00 2.13 0.00 0.00 52.55 54.29 3mjg s ASP 263 Cb -0.12 0.27 0.05 0.00 -1.45 0.00 0.00 42.92 41.67 3mjg s ASP 263 CO 0.28 -0.64 -0.11 -0.36 0.13 0.00 0.00 175.17 174.47 3mjg s PHE 264 N -3.63 3.03 -0.01 -5.34 0.08 -1.26 -0.56 117.98 110.28 3mjg s PHE 264 Ca 0.04 -2.12 -0.01 0.00 0.12 0.00 0.00 56.93 54.96 3mjg s PHE 264 Cb 0.05 -1.86 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 3mjg s PHE 264 CO -0.09 -0.85 0.12 -0.07 -0.10 0.00 0.00 175.22 174.23 3mjg h LEU 265 N 7.83 -0.02 -8.61 -0.37 3.38 -1.74 -3.46 115.31 112.32 3mjg h LEU 265 Ca -0.23 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.09 3mjg h LEU 265 Cb 1.06 0.01 -0.26 0.00 0.09 0.00 0.00 40.66 41.55 3mjg h LEU 265 CO 0.48 0.06 -0.75 -0.76 0.09 0.00 0.00 178.44 177.55 3mjg s LEU 266 N -4.75 2.80 0.19 1.67 1.02 -1.25 -5.01 118.68 113.35 3mjg s LEU 266 Ca -0.00 -0.31 0.18 0.00 0.02 0.00 0.00 54.13 54.01 3mjg s LEU 266 Cb 0.00 -1.65 -0.00 0.00 0.02 0.00 0.00 46.19 44.56 3mjg s LEU 266 CO 0.01 0.14 1.15 0.44 0.02 0.00 0.00 176.35 178.11 3mjg h ASP 267 N 6.89 0.00 0.00 2.29 5.19 -1.89 -0.93 116.42 127.97 3mjg h ASP 267 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3mjg h ASP 267 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3mjg h ASP 267 CO 0.57 0.41 0.00 0.80 -3.12 0.00 0.00 179.24 177.91 3mjg n MET 268 N -3.00 0.00 -1.90 3.56 1.56 -1.26 -4.02 117.12 112.06 3mjg n MET 268 Ca -0.03 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 56.97 3mjg n MET 268 Cb 0.73 -0.08 -0.03 0.00 2.15 0.00 0.00 33.22 36.00 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 0.00 3.50 -0.16 2.12 0.02 -1.26 -4.79 135.00 134.43 3mjg s PRO 269 Ca 0.00 1.77 -0.37 0.00 0.02 0.00 0.00 61.00 62.42 3mjg s PRO 269 Cb 0.00 -4.19 -0.13 0.00 0.02 0.00 0.00 34.50 30.20 3mjg s PRO 269 CO 0.00 -1.66 1.82 0.66 -0.33 0.00 0.00 177.00 177.49 3mjg n TYR 270 N 9.80 2.22 -3.90 6.54 4.02 -1.26 -4.71 117.16 129.88 3mjg n TYR 270 Ca 0.23 0.22 -0.35 0.00 -0.01 0.00 0.00 57.90 57.99 3mjg n TYR 270 Cb 0.45 -2.58 -0.13 0.00 -0.02 0.00 0.00 39.34 37.06 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 3.82 3.41 -0.07 -0.72 3.76 -0.35 -0.48 115.29 124.65 3mjg s HIS 271 Ca 0.95 -2.18 0.03 0.00 -0.15 0.00 0.00 55.06 53.71 3mjg s HIS 271 Cb -0.85 -2.50 -0.02 0.00 1.11 0.00 0.00 32.58 30.33 3mjg s HIS 271 CO 0.57 -0.87 -0.16 0.42 -0.85 0.00 0.00 174.74 173.85 3mjg s ILE 272 N 1.17 2.88 -0.02 0.60 1.01 -0.53 -1.79 121.20 124.52 3mjg s ILE 272 Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.93 3mjg s ILE 272 Cb -0.20 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3mjg s ILE 272 CO -0.03 0.57 -0.16 -0.60 0.00 0.00 0.00 174.94 174.72 3mjg s ARG 273 N -0.38 1.38 -0.09 2.79 3.52 0.27 -1.33 118.95 125.12 3mjg s ARG 273 Ca 0.04 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 3mjg s ARG 273 Cb -0.12 -1.32 0.01 0.00 -1.56 0.00 0.00 34.95 31.95 3mjg s ARG 273 CO 0.02 0.34 -0.19 0.45 -0.81 0.00 0.00 175.30 175.11 3mjg s SER 274 N -0.32 2.54 -0.11 -2.12 0.15 0.19 0.49 113.70 114.52 3mjg s SER 274 Ca 0.05 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.28 3mjg s SER 274 Cb -0.07 -1.16 -0.00 0.00 -1.71 0.00 0.00 66.02 63.08 3mjg s SER 274 CO -0.00 0.09 -0.22 0.27 1.20 0.00 0.00 173.24 174.58 3mjg s ILE 275 N 0.56 2.20 -0.25 6.45 -5.25 0.08 0.26 121.20 125.25 3mjg s ILE 275 Ca -0.15 -0.97 -0.10 0.00 -0.99 0.00 0.00 60.65 58.44 3mjg s ILE 275 Cb -0.17 -1.85 -0.04 0.00 2.95 0.00 0.00 42.46 43.35 3mjg s ILE 275 CO 0.05 0.55 0.14 -0.22 -1.79 0.00 0.00 174.94 173.68 3mjg s LEU 276 N 0.37 3.87 -0.14 0.37 1.98 -0.23 -1.50 118.68 123.39 3mjg s LEU 276 Ca -0.17 -0.02 0.01 0.00 -2.89 0.00 0.00 54.13 51.06 3mjg s LEU 276 Cb -0.18 -2.05 0.02 0.00 0.66 0.00 0.00 46.19 44.64 3mjg s LEU 276 CO 0.08 0.00 -0.18 -2.28 -1.89 0.00 0.00 176.35 172.09 3mjg s HIS 277 N 1.41 2.37 -0.33 5.38 5.65 -1.26 -0.85 115.29 127.67 3mjg s HIS 277 Ca 0.06 -1.26 0.03 0.00 0.25 0.00 0.00 55.06 54.15 3mjg s HIS 277 Cb -0.15 -1.67 0.10 0.00 -1.18 0.00 0.00 32.58 29.68 3mjg s HIS 277 CO 0.07 -0.63 0.04 0.42 -0.65 0.00 0.00 174.74 173.99 3mjg s ILE 278 N 1.13 2.02 0.67 0.89 1.01 0.21 -4.90 121.20 122.23 3mjg s ILE 278 Ca -0.01 -2.10 -0.11 0.00 0.00 0.00 0.00 60.65 58.42 3mjg s ILE 278 Cb -0.14 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 3mjg s ILE 278 CO -0.06 -0.55 1.05 -2.16 0.00 0.00 0.00 174.94 173.22 3mjg s PRO 279 N 1.05 3.20 -1.46 2.79 0.04 -1.26 0.47 135.00 139.83 3mjg s PRO 279 Ca 0.09 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 61.78 3mjg s PRO 279 Cb -0.19 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3mjg s PRO 279 CO -0.10 -0.85 0.83 0.43 0.04 0.00 0.00 177.00 177.34 3mjg n SER 280 N -2.94 -3.14 -4.71 6.66 7.64 -1.03 -4.74 113.62 111.36 3mjg n SER 280 Ca 0.07 -0.82 -0.67 0.00 1.01 0.00 0.00 58.87 58.45 3mjg n SER 280 Cb 0.55 -3.81 -0.10 0.00 -1.01 0.00 0.00 64.21 59.84 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 -4.51 -1.21 -2.00 -0.43 0.00 0.50 -4.42 120.51 108.44 3mjg n ALA 281 Ca -0.10 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 3mjg n ALA 281 Cb 0.59 -1.94 0.10 0.00 0.00 0.00 0.00 19.45 18.20 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 3.24 1.79 0.00 0.00 2.02 -1.26 -0.76 118.70 123.73 3mjg s GLU 282 Ca 1.06 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 54.88 3mjg s GLU 282 Cb -1.49 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 30.36 3mjg s GLU 282 CO 0.80 -1.34 0.00 -0.11 0.02 0.00 0.00 175.26 174.63 3mjg n LEU 283 N -2.74 0.00 0.00 1.80 7.94 -1.26 -3.71 117.00 119.03 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 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 3mjg n LEU 283 CO 0.42 -0.30 0.00 -0.62 -1.11 0.00 0.00 177.39 175.78 3mjg n GLU 284 N -0.59 0.00 0.28 1.96 4.71 -1.26 -4.49 120.64 121.26 3mjg n GLU 284 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 57.16 57.33 3mjg n GLU 284 Cb 0.00 -1.55 0.95 0.00 -1.01 0.00 0.00 31.44 29.83 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 -4.10 1.62 3.45 -1.95 -3.41 116.42 112.04 3mjg h ASP 285 Ca 0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 3mjg h ASP 285 Cb 0.00 0.00 0.15 0.00 -0.56 0.00 0.00 39.33 38.92 3mjg h ASP 285 CO 0.00 0.00 0.52 -0.55 -1.57 0.00 0.00 179.24 177.64 3mjg s SER 286 N -5.68 4.74 0.00 6.45 0.15 -1.26 -4.72 113.70 113.38 3mjg s SER 286 Ca -0.05 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.22 3mjg s SER 286 Cb 0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3mjg s SER 286 CO 0.50 -1.91 0.00 0.61 1.20 0.00 0.00 173.24 173.63 3mjg n GLY 287 N 0.84 0.82 3.76 9.45 0.00 0.14 -4.87 105.19 115.34 3mjg n GLY 287 Ca 0.15 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.80 4.46 -0.06 2.61 2.01 -1.26 -1.45 115.64 120.15 3mjg s THR 288 Ca 0.00 1.72 0.05 0.00 0.31 0.00 0.00 61.69 63.77 3mjg s THR 288 Cb 0.00 -4.15 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 3mjg s THR 288 CO 0.00 0.47 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.89 3mjg s TYR 289 N -0.81 2.05 0.05 4.92 1.51 0.15 -3.96 117.35 121.26 3mjg s TYR 289 Ca 0.37 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3mjg s TYR 289 Cb -0.23 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 3mjg s TYR 289 CO 0.26 -0.22 -0.10 0.99 -1.11 0.00 0.00 175.55 175.38 3mjg s THR 290 N 0.02 0.70 -0.19 -0.71 2.01 0.11 -1.06 115.64 116.52 3mjg s THR 290 Ca -0.06 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.84 3mjg s THR 290 Cb -0.13 -0.73 0.04 0.00 0.01 0.00 0.00 72.50 71.69 3mjg s THR 290 CO 0.03 -0.31 -0.09 0.00 -0.69 0.00 0.00 174.62 173.57 3mjg s ASN 292 N 1.48 5.21 -0.09 0.00 3.84 0.21 -2.22 114.94 123.37 3mjg s ASN 292 Ca -0.00 -0.09 0.03 0.00 0.21 0.00 0.00 52.86 53.00 3mjg s ASN 292 Cb -0.16 -1.90 0.01 0.00 -0.55 0.00 0.00 41.25 38.65 3mjg s ASN 292 CO -0.08 0.08 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.43 3mjg s VAL 293 N 0.90 1.72 0.02 -5.21 1.01 0.10 0.29 120.40 119.24 3mjg s VAL 293 Ca 0.03 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3mjg s VAL 293 Cb -0.14 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3mjg s VAL 293 CO 0.02 0.48 -0.07 0.42 0.00 0.00 0.00 175.10 175.96 3mjg s THR 294 N 0.48 0.53 -0.17 3.92 -4.23 -0.08 -1.57 115.64 114.53 3mjg s THR 294 Ca -0.17 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 3mjg s THR 294 Cb -0.17 -0.52 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 3mjg s THR 294 CO 0.07 -0.11 -0.04 -1.83 -0.54 0.00 0.00 174.62 172.17 3mjg s GLU 295 N -0.84 3.59 0.01 3.99 4.04 -1.01 0.21 118.70 128.69 3mjg s GLU 295 Ca -0.03 -0.55 0.26 0.00 0.04 0.00 0.00 54.97 54.68 3mjg s GLU 295 Cb -0.06 -2.92 1.11 0.00 0.02 0.00 0.00 34.13 32.28 3mjg s GLU 295 CO 0.00 0.15 1.83 0.45 -1.84 0.00 0.00 175.26 175.85 3mjg n SER 296 N 3.81 0.03 0.01 0.83 2.88 -1.26 -0.71 113.62 119.20 3mjg n SER 296 Ca -0.17 0.50 -0.08 0.00 -1.33 0.00 0.00 58.87 57.79 3mjg n SER 296 Cb 0.52 -0.51 0.09 0.00 -0.75 0.00 0.00 64.21 63.56 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 1.32 0.00 2.46 2.07 -1.95 -3.34 116.25 116.81 3mjg h VAL 297 Ca 0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 3mjg h VAL 297 Cb 0.46 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3mjg h VAL 297 CO 0.00 0.53 0.00 0.59 0.02 0.00 0.00 177.57 178.71 3mjg n ASN 298 N -3.98 0.51 -3.71 0.57 4.13 -1.25 -5.04 115.26 106.49 3mjg n ASN 298 Ca -0.02 -1.18 -0.24 0.00 1.68 0.00 0.00 54.58 54.82 3mjg n ASN 298 Cb 0.57 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.85 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 -0.09 -3.13 -4.87 6.41 9.92 0.11 -4.99 116.55 119.90 3mjg n ASP 299 Ca 0.00 -0.74 -0.31 0.00 -0.53 0.00 0.00 54.79 53.22 3mjg n ASP 299 Cb 0.30 -4.32 -0.04 0.00 -0.64 0.00 0.00 41.12 36.42 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 -3.46 3.45 0.05 1.24 3.76 -1.14 -4.90 115.29 114.28 3mjg s HIS 300 Ca 0.28 1.04 -0.01 0.00 -0.15 0.00 0.00 55.06 56.22 3mjg s HIS 300 Cb -0.14 -2.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 3mjg s HIS 300 CO 0.79 -0.03 -0.02 -1.14 -0.85 0.00 0.00 174.74 173.50 3mjg s GLN 301 N -3.60 0.57 -0.18 1.40 -0.44 -1.26 -2.39 119.66 113.75 3mjg s GLN 301 Ca 0.51 -1.08 -0.30 0.00 -2.50 0.00 0.00 55.36 51.99 3mjg s GLN 301 Cb -0.10 0.20 0.13 0.00 -1.64 0.00 0.00 33.01 31.60 3mjg s GLN 301 CO 0.28 -0.11 1.04 0.34 0.50 0.00 0.00 175.29 177.34 3mjg s ASP 302 N -2.63 -0.34 -0.02 6.67 -1.08 -0.61 -4.87 116.67 113.80 3mjg s ASP 302 Ca 0.02 0.39 -0.14 0.00 -0.52 0.00 0.00 52.55 52.30 3mjg s ASP 302 Cb 0.04 0.30 0.02 0.00 -1.46 0.00 0.00 42.92 41.82 3mjg s ASP 302 CO -0.08 -0.30 0.29 -1.83 0.52 0.00 0.00 175.17 173.77 3mjg s GLU 303 N -1.03 0.63 -0.01 4.34 -1.05 -1.26 0.00 118.70 120.32 3mjg s GLU 303 Ca -0.00 -0.18 0.01 0.00 -0.15 0.00 0.00 54.97 54.65 3mjg s GLU 303 Cb -0.01 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3mjg s GLU 303 CO 0.00 -0.17 -0.02 0.15 0.95 0.00 0.00 175.26 176.17 3mjg s LYS 304 N -1.24 0.24 0.15 -4.83 -0.14 -0.94 -4.93 119.74 108.04 3mjg s LYS 304 Ca -0.13 -0.07 0.10 0.00 -1.36 0.00 0.00 55.97 54.51 3mjg s LYS 304 Cb -0.05 -0.27 -0.04 0.00 -1.68 0.00 0.00 37.83 35.79 3mjg s LYS 304 CO 0.04 0.03 -0.18 0.00 -0.76 0.00 0.00 175.35 174.48 3mjg s ALA 305 N 0.13 2.70 0.01 5.17 0.00 -1.26 -1.95 121.76 126.55 3mjg s ALA 305 Ca -0.01 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 3mjg s ALA 305 Cb -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3mjg s ALA 305 CO -0.00 0.52 0.24 0.96 0.00 0.00 0.00 175.76 177.48 3mjg s ILE 306 N -1.39 0.08 -0.13 0.00 -0.00 -0.23 -4.98 121.20 114.54 3mjg s ILE 306 Ca 0.20 -0.66 -0.04 0.00 -0.00 0.00 0.00 60.65 60.15 3mjg s ILE 306 Cb -0.09 -0.69 -0.03 0.00 -0.00 0.00 0.00 42.46 41.64 3mjg s ILE 306 CO 0.11 -0.36 -0.01 0.20 -0.00 0.00 0.00 174.94 174.88 3mjg s ASN 307 N -1.64 5.09 -0.05 4.36 0.01 -1.26 -0.68 114.94 120.78 3mjg s ASN 307 Ca -0.11 0.00 0.06 0.00 -0.71 0.00 0.00 52.86 52.11 3mjg s ASN 307 Cb -0.04 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 39.92 3mjg s ASN 307 CO 0.01 0.25 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.97 3mjg s ILE 308 N -0.10 1.96 -0.10 0.60 1.01 -0.53 -4.88 121.20 119.17 3mjg s ILE 308 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.68 3mjg s ILE 308 Cb -0.13 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3mjg s ILE 308 CO 0.02 0.55 -0.16 0.28 0.00 0.00 0.00 174.94 175.63 3mjg s THR 309 N -0.23 1.51 -0.05 2.92 -1.32 -0.82 0.27 115.64 117.91 3mjg s THR 309 Ca -0.01 -0.66 -0.08 0.00 -1.21 0.00 0.00 61.69 59.74 3mjg s THR 309 Cb -0.13 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.45 3mjg s THR 309 CO 0.02 0.44 0.22 -0.69 -2.21 0.00 0.00 174.62 172.41 3mjg s VAL 310 N 0.87 5.37 0.27 5.08 1.01 -1.26 -2.04 120.40 129.70 3mjg s VAL 310 Ca -0.09 0.25 0.11 0.00 0.00 0.00 0.00 61.98 62.25 3mjg s VAL 310 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3mjg s VAL 310 CO 0.00 0.51 -0.18 0.68 0.00 0.00 0.00 175.10 176.11 3mjg s VAL 311 N -1.14 2.29 -2.82 2.92 -7.23 0.02 -4.91 120.40 109.53 3mjg s VAL 311 Ca 0.21 -2.35 0.23 0.00 -1.81 0.00 0.00 61.98 58.25 3mjg s VAL 311 Cb -0.13 -2.26 0.18 0.00 0.56 0.00 0.00 36.38 34.73 3mjg s VAL 311 CO 0.10 -0.43 1.21 1.21 -0.31 0.00 0.00 175.10 176.88