#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jks s SER 5 N 0.00 1.57 -0.07 1.09 1.04 -1.26 -4.38 113.70 111.69 2jks s SER 5 Ca 0.00 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2jks s SER 5 Cb 0.00 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.09 2jks s SER 5 CO 0.00 -0.03 0.16 -0.60 0.98 0.00 0.00 173.24 173.75 2jks s ARG 6 N -1.40 0.11 -0.15 4.02 3.52 -0.06 -4.96 118.95 120.03 2jks s ARG 6 Ca -0.01 0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.97 2jks s ARG 6 Cb -0.09 -0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 2jks s ARG 6 CO 0.02 -0.16 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.07 2jks s LEU 7 N 1.16 2.84 -0.06 -0.88 2.96 -1.26 -0.26 118.68 123.18 2jks s LEU 7 Ca -0.09 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2jks s LEU 7 Cb -0.11 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2jks s LEU 7 CO -0.06 0.14 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.00 2jks s THR 8 N 0.50 2.35 -0.06 3.68 2.01 0.42 -4.98 115.64 119.56 2jks s THR 8 Ca -0.07 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2jks s THR 8 Cb -0.15 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.50 2jks s THR 8 CO 0.04 0.57 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.76 2jks s VAL 9 N -0.27 0.86 -0.06 3.82 1.01 -1.26 -0.28 120.40 124.22 2jks s VAL 9 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2jks s VAL 9 Cb -0.13 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.46 2jks s VAL 9 CO 0.03 0.30 0.11 0.00 0.00 0.00 0.00 175.10 175.53 2jks s ALA 10 N 0.86 0.02 0.00 5.51 0.00 -0.59 -5.01 121.76 122.55 2jks s ALA 10 Ca -0.12 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2jks s ALA 10 Cb -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2jks s ALA 10 CO 0.01 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2jks n GLY 11 N 5.17 3.88 1.65 0.00 0.00 -1.26 -1.73 105.19 112.91 2jks n GLY 11 Ca -0.07 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2jks n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jks n SER 12 N 6.98 3.72 -4.25 1.61 3.41 -1.26 -4.78 113.62 119.05 2jks n SER 12 Ca 0.00 -3.75 -0.33 0.00 -0.26 0.00 0.00 58.87 54.53 2jks n SER 12 Cb 0.00 -0.69 -0.16 0.00 -0.26 0.00 0.00 64.21 63.10 2jks n SER 12 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jks s ASP 13 N -2.31 3.49 0.03 4.04 1.01 -0.70 -1.50 116.67 120.72 2jks s ASP 13 Ca 0.51 -0.50 0.09 0.00 0.71 0.00 0.00 52.55 53.36 2jks s ASP 13 Cb 0.44 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.82 2jks s ASP 13 CO 0.02 0.11 -0.26 0.00 0.21 0.00 0.00 175.17 175.25 2jks s ALA 14 N 0.68 2.16 -0.07 5.23 0.00 -0.09 -1.54 121.76 128.14 2jks s ALA 14 Ca -0.09 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.68 2jks s ALA 14 Cb -0.16 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2jks s ALA 14 CO 0.02 0.52 -0.03 0.15 0.00 0.00 0.00 175.76 176.41 2jks s LYS 15 N -1.03 0.86 -0.15 0.00 3.01 0.62 -1.29 119.74 121.76 2jks s LYS 15 Ca 0.11 -0.04 -0.04 0.00 -1.01 0.00 0.00 55.97 54.99 2jks s LYS 15 Cb -0.10 -1.03 -0.03 0.00 -1.01 0.00 0.00 37.83 35.66 2jks s LYS 15 CO 0.01 -0.21 -0.03 0.00 0.51 0.00 0.00 175.35 175.63 2jks s ASP 17 N 0.23 2.64 0.37 0.00 1.01 0.64 -1.14 116.67 120.42 2jks s ASP 17 Ca -0.02 -0.48 0.06 0.00 0.71 0.00 0.00 52.55 52.82 2jks s ASP 17 Cb -0.14 -1.21 -0.07 0.00 1.01 0.00 0.00 42.92 42.51 2jks s ASP 17 CO 0.03 0.08 0.02 -0.36 0.21 0.00 0.00 175.17 175.15 2jks s PHE 18 N 0.65 2.30 0.00 4.23 0.40 -0.48 -0.88 117.98 124.20 2jks s PHE 18 Ca -0.13 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 2jks s PHE 18 Cb -0.16 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.80 2jks s PHE 18 CO 0.04 0.30 0.00 -2.30 0.70 0.00 0.00 175.22 173.95 2jks n PRO 21 N -0.85 0.00 -3.90 0.24 -0.01 -1.26 -2.54 135.00 126.68 2jks n PRO 21 Ca -0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.17 2jks n PRO 21 Cb 0.67 -1.35 -0.03 0.00 -0.01 0.00 0.00 33.50 32.77 2jks n PRO 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jks s ALA 22 N -2.24 3.96 0.01 3.55 0.00 -1.26 -4.76 121.76 121.03 2jks s ALA 22 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 2jks s ALA 22 Cb 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 23.12 21.18 2jks s ALA 22 CO 0.00 0.61 1.06 1.15 0.00 0.00 0.00 175.76 178.58 2jks h THR 23 N 1.76 0.00 -3.39 0.00 2.02 -2.05 -3.47 112.91 107.77 2jks h THR 23 Ca -0.47 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2jks h THR 23 Cb 1.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2jks h THR 23 CO 0.71 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.60 2jks n GLN 24 N -4.39 2.98 -2.01 6.66 10.64 -1.26 -5.16 117.38 124.85 2jks n GLN 24 Ca -0.09 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.80 2jks n GLN 24 Cb 0.28 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.76 2jks n GLN 24 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 2jks s ASP 25 N -0.07 4.46 -0.14 2.61 3.84 -1.26 -4.85 116.67 121.25 2jks s ASP 25 Ca 0.00 0.61 -0.21 0.00 -0.00 0.00 0.00 52.55 52.95 2jks s ASP 25 Cb 0.00 -1.10 0.05 0.00 -1.38 0.00 0.00 42.92 40.49 2jks s ASP 25 CO 0.00 -1.90 0.54 -0.94 -0.00 0.00 0.00 175.17 172.88 2jks s SER 26 N -4.59 -0.53 1.10 2.11 1.04 -1.26 -5.14 113.70 106.42 2jks s SER 26 Ca 0.63 0.87 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 2jks s SER 26 Cb -0.10 0.88 0.24 0.00 0.10 0.00 0.00 66.02 67.14 2jks s SER 26 CO 0.48 -0.32 1.00 -0.81 0.98 0.00 0.00 173.24 174.57 2jks n PRO 27 N 2.15 -1.83 -1.76 4.02 -0.04 -1.26 -4.71 135.00 131.57 2jks n PRO 27 Ca -0.16 -0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 62.39 2jks n PRO 27 Cb 0.56 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 2jks n PRO 27 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2jks s PRO 28 N -4.41 4.12 0.01 0.54 0.02 -1.26 -4.69 135.00 129.32 2jks s PRO 28 Ca 0.67 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 63.98 2jks s PRO 28 Cb -0.24 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.19 2jks s PRO 28 CO 0.63 -0.66 1.44 0.54 -0.33 0.00 0.00 177.00 178.63 2jks s VAL 29 N 0.21 3.61 -0.03 3.83 0.11 -0.55 -4.72 120.40 122.86 2jks s VAL 29 Ca 0.65 1.00 0.05 0.00 -2.93 0.00 0.00 61.98 60.76 2jks s VAL 29 Cb -0.48 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 30.70 2jks s VAL 29 CO 0.45 -0.01 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.59 2jks s SER 30 N 1.99 3.68 0.34 3.54 0.01 -1.26 0.40 113.70 122.40 2jks s SER 30 Ca 0.65 -0.31 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 2jks s SER 30 Cb -0.33 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.29 2jks s SER 30 CO 0.27 0.33 0.69 -0.83 0.41 0.00 0.00 173.24 174.11 2jks s GLY 31 N -0.77 0.50 0.05 3.44 0.00 -0.77 -4.98 107.32 104.80 2jks s GLY 31 Ca 0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 2jks s GLY 31 CO 0.01 -0.43 -0.03 -0.56 0.00 0.00 0.00 173.10 172.09 2jks s SER 32 N -3.07 0.47 0.17 1.64 0.01 -1.26 -1.45 113.70 110.22 2jks s SER 32 Ca 0.18 -0.94 -0.10 0.00 1.31 0.00 0.00 55.95 56.40 2jks s SER 32 Cb -0.04 0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.37 2jks s SER 32 CO 0.12 -0.56 0.32 -1.48 0.41 0.00 0.00 173.24 172.05 2jks s LEU 33 N -2.74 0.83 -0.07 2.44 0.05 -0.43 -4.93 118.68 113.82 2jks s LEU 33 Ca 0.04 -0.84 0.04 0.00 0.05 0.00 0.00 54.13 53.42 2jks s LEU 33 Cb 0.06 1.32 0.00 0.00 -2.05 0.00 0.00 46.19 45.52 2jks s LEU 33 CO -0.09 -0.93 -0.20 -0.89 -0.55 0.00 0.00 176.35 173.69 2jks s THR 34 N -3.96 1.73 -0.02 5.48 2.01 -1.26 -1.55 115.64 118.07 2jks s THR 34 Ca 0.17 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 2jks s THR 34 Cb 0.03 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2jks s THR 34 CO 0.00 0.49 0.14 -0.76 -0.69 0.00 0.00 174.62 173.80 2jks s LEU 35 N 0.28 4.17 0.19 4.42 1.43 0.99 -4.90 118.68 125.27 2jks s LEU 35 Ca -0.13 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 2jks s LEU 35 Cb -0.16 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.71 2jks s LEU 35 CO 0.06 0.28 0.96 -0.94 0.23 0.00 0.00 176.35 176.94 2jks s SER 36 N -1.76 -0.12 -0.28 2.29 1.04 -0.51 -1.15 113.70 113.22 2jks s SER 36 Ca 0.24 -0.55 -0.43 0.00 0.48 0.00 0.00 55.95 55.69 2jks s SER 36 Cb -0.12 0.53 -0.19 0.00 0.10 0.00 0.00 66.02 66.35 2jks s SER 36 CO 0.15 -1.02 1.50 1.17 0.98 0.00 0.00 173.24 176.02 2jks n LYS 37 N -0.54 0.41 0.00 4.02 4.81 -1.26 0.17 118.16 125.78 2jks n LYS 37 Ca -0.05 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2jks n LYS 37 Cb 0.60 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.94 2jks n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jks n GLY 38 N 3.36 1.78 2.42 3.14 0.00 -1.26 -4.89 105.19 109.75 2jks n GLY 38 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 2jks n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jks n ARG 39 N -2.00 0.43 0.00 1.61 1.74 0.13 -4.98 116.66 113.58 2jks n ARG 39 Ca 0.00 -2.88 0.08 0.00 -0.77 0.00 0.00 57.85 54.28 2jks n ARG 39 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 2jks n ARG 39 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2jks n MET 40 N 2.37 1.54 -4.40 5.56 2.81 -1.21 -1.43 117.12 122.37 2jks n MET 40 Ca 0.24 -0.60 -0.32 0.00 -1.81 0.00 0.00 57.70 55.21 2jks n MET 40 Cb 0.52 -1.31 -0.16 0.00 -0.71 0.00 0.00 33.22 31.55 2jks n MET 40 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2jks s THR 41 N -2.20 2.00 0.00 2.03 2.01 -1.26 -0.07 115.64 118.15 2jks s THR 41 Ca 0.12 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2jks s THR 41 Cb 0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2jks s THR 41 CO 0.52 0.53 0.10 0.00 -0.69 0.00 0.00 174.62 175.08 2jks s ALA 42 N 1.05 3.64 0.06 7.40 0.00 0.27 -4.75 121.76 129.43 2jks s ALA 42 Ca -0.02 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.16 2jks s ALA 42 Cb -0.14 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2jks s ALA 42 CO -0.07 0.70 -0.21 0.95 0.00 0.00 0.00 175.76 177.14 2jks s THR 43 N -1.23 1.67 -0.06 0.00 -4.23 -0.56 -1.02 115.64 110.21 2jks s THR 43 Ca 0.24 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2jks s THR 43 Cb -0.12 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.27 2jks s THR 43 CO 0.15 0.12 -0.01 0.12 -0.54 0.00 0.00 174.62 174.46 2jks s PHE 44 N -0.91 0.63 -0.01 3.99 5.36 0.04 -0.91 117.98 126.17 2jks s PHE 44 Ca 0.07 -0.15 0.06 0.00 -0.96 0.00 0.00 56.93 55.95 2jks s PHE 44 Cb -0.09 -0.70 -0.01 0.00 -0.34 0.00 0.00 43.02 41.88 2jks s PHE 44 CO 0.03 -0.26 -0.18 -2.00 -1.46 0.00 0.00 175.22 171.35 2jks s GLU 45 N 1.52 1.44 -0.08 10.12 2.12 -0.41 -0.43 118.70 132.98 2jks s GLU 45 Ca -0.02 -0.66 -0.00 0.00 0.36 0.00 0.00 54.97 54.65 2jks s GLU 45 Cb -0.13 -1.40 0.02 0.00 0.26 0.00 0.00 34.13 32.89 2jks s GLU 45 CO -0.03 0.38 -0.05 0.00 -0.54 0.00 0.00 175.26 175.02 2jks s SER 47 N 1.52 1.20 0.12 0.00 1.04 -0.30 -1.71 113.70 115.59 2jks s SER 47 Ca -0.00 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 55.67 2jks s SER 47 Cb -0.13 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2jks s SER 47 CO -0.04 -0.21 0.26 0.00 0.98 0.00 0.00 173.24 174.22 2jks s ALA 48 N -1.78 -0.24 0.72 5.32 0.00 -1.26 -1.38 121.76 123.13 2jks s ALA 48 Ca -0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2jks s ALA 48 Cb -0.07 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.74 2jks s ALA 48 CO 0.00 -0.59 1.08 0.95 0.00 0.00 0.00 175.76 177.21 2jks s THR 49 N -3.89 3.63 0.54 0.00 -4.23 -1.05 -4.88 115.64 105.75 2jks s THR 49 Ca 0.09 0.56 0.30 0.00 -1.18 0.00 0.00 61.69 61.46 2jks s THR 49 Cb 0.04 -3.15 0.45 0.00 1.34 0.00 0.00 72.50 71.19 2jks s THR 49 CO -0.07 -0.66 1.92 1.56 -0.54 0.00 0.00 174.62 176.83 2jks h GLN 50 N -0.80 0.00 -0.00 3.99 4.20 -2.02 -2.37 115.11 118.11 2jks h GLN 50 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2jks h GLN 50 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2jks h GLN 50 CO 0.54 0.00 -0.10 0.00 -0.67 0.00 0.00 178.83 178.60 2jks n ALA 51 N -2.68 2.68 -2.80 3.87 0.00 -1.26 -4.87 120.51 115.45 2jks n ALA 51 Ca 0.15 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 2jks n ALA 51 Cb 0.84 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 2jks n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jks s LEU 52 N -2.65 4.02 -0.08 0.00 1.43 -0.90 -4.29 118.68 116.21 2jks s LEU 52 Ca 0.24 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 2jks s LEU 52 Cb 0.20 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2jks s LEU 52 CO 0.50 0.26 0.40 -0.94 0.23 0.00 0.00 176.35 176.81 2jks s SER 53 N -0.17 6.68 -0.12 2.29 1.04 -1.12 -4.85 113.70 117.45 2jks s SER 53 Ca 0.09 0.80 -0.04 0.00 0.48 0.00 0.00 55.95 57.28 2jks s SER 53 Cb -0.12 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 2jks s SER 53 CO 0.01 0.17 0.04 -0.63 0.98 0.00 0.00 173.24 173.80 2jks s ILE 54 N -0.16 4.61 0.34 -1.02 1.01 -1.26 -1.31 121.20 123.41 2jks s ILE 54 Ca 0.23 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.82 2jks s ILE 54 Cb -0.15 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 2jks s ILE 54 CO 0.10 0.57 -0.03 -0.94 0.00 0.00 0.00 174.94 174.64 2jks s SER 55 N -0.55 3.28 0.38 3.58 1.04 0.02 -4.98 113.70 116.47 2jks s SER 55 Ca 0.10 -1.28 0.07 0.00 0.48 0.00 0.00 55.95 55.33 2jks s SER 55 Cb -0.12 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 2jks s SER 55 CO 0.02 -0.38 0.42 0.42 0.98 0.00 0.00 173.24 174.70 2jks s THR 56 N -2.86 3.26 -0.15 2.02 -4.23 -1.26 -1.39 115.64 111.02 2jks s THR 56 Ca 0.33 -1.20 -0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2jks s THR 56 Cb 0.06 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.80 2jks s THR 56 CO 0.16 -0.08 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.46 2jks s ILE 57 N -2.34 1.10 1.17 2.99 1.09 -0.64 -3.20 121.20 121.38 2jks s ILE 57 Ca 0.47 -0.51 -0.15 0.00 -1.10 0.00 0.00 60.65 59.36 2jks s ILE 57 Cb -0.07 -1.21 0.28 0.00 -1.06 0.00 0.00 42.46 40.40 2jks s ILE 57 CO 0.29 0.23 1.04 -2.84 -0.10 0.00 0.00 174.94 173.56 2jks s PRO 58 N 1.65 -0.99 0.37 2.79 0.02 -1.26 -1.49 135.00 136.10 2jks s PRO 58 Ca 0.02 0.50 0.06 0.00 0.02 0.00 0.00 61.00 61.60 2jks s PRO 58 Cb -0.14 -1.57 0.73 0.00 0.02 0.00 0.00 34.50 33.54 2jks s PRO 58 CO -0.08 -3.68 1.98 1.79 -0.33 0.00 0.00 177.00 176.67 2jks h THR 59 N -2.58 1.15 -3.45 0.99 1.35 -1.93 -3.25 112.91 105.19 2jks h THR 59 Ca -0.56 -0.46 -0.66 0.00 -0.55 0.00 0.00 66.41 64.18 2jks h THR 59 Cb 1.33 0.67 -0.39 0.00 -1.73 0.00 0.00 68.15 68.04 2jks h THR 59 CO 0.48 0.18 -0.55 0.21 -0.25 0.00 0.00 175.52 175.58 2jks s ASN 60 N -6.69 4.65 0.59 5.36 3.84 -1.26 -4.50 114.94 116.93 2jks s ASN 60 Ca -0.08 -2.90 0.35 0.00 0.21 0.00 0.00 52.86 50.44 2jks s ASN 60 Cb 0.17 -1.71 1.88 0.00 -0.55 0.00 0.00 41.25 41.04 2jks s ASN 60 CO 0.75 -0.29 2.22 -0.29 -2.79 0.00 0.00 177.10 176.70 2jks h ILE 61 N 5.51 0.29 0.00 -5.21 2.10 -1.74 -0.65 117.51 117.81 2jks h ILE 61 Ca -0.06 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.67 2jks h ILE 61 Cb 0.92 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 2jks h ILE 61 CO 0.69 0.03 0.00 -0.62 -1.08 0.00 0.00 178.15 177.17 2jks n GLU 62 N -3.43 0.32 0.00 2.19 1.02 -1.26 -3.90 120.64 115.58 2jks n GLU 62 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2jks n GLU 62 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2jks n GLU 62 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jks n GLN 63 N -1.32 0.75 -4.22 3.49 6.02 -0.68 -4.57 117.38 116.85 2jks n GLN 63 Ca 0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.96 2jks n GLN 63 Cb 0.22 -0.95 -0.10 0.00 1.02 0.00 0.00 30.24 30.43 2jks n GLN 63 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jks s ASN 64 N -3.66 1.66 0.37 1.08 0.01 -0.34 -4.57 114.94 109.50 2jks s ASN 64 Ca 0.00 -0.90 0.04 0.00 -0.71 0.00 0.00 52.86 51.29 2jks s ASN 64 Cb 0.00 -0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.60 2jks s ASN 64 CO 0.00 -0.28 0.06 0.68 -1.51 0.00 0.00 177.10 176.05 2jks s VAL 65 N -2.80 1.20 -0.13 1.60 -7.23 -0.28 -4.27 120.40 108.49 2jks s VAL 65 Ca 0.11 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 2jks s VAL 65 Cb -0.01 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 2jks s VAL 65 CO 0.00 0.00 0.25 0.00 -0.31 0.00 0.00 175.10 175.05 2jks s ASP 67 N -0.21 6.06 0.00 0.00 -1.08 0.13 -1.11 116.67 120.46 2jks s ASP 67 Ca 0.16 -1.30 0.08 0.00 -0.52 0.00 0.00 52.55 50.98 2jks s ASP 67 Cb -0.13 -2.15 0.38 0.00 -1.46 0.00 0.00 42.92 39.56 2jks s ASP 67 CO 0.05 -0.60 1.20 -2.65 0.52 0.00 0.00 175.17 173.68 2jks n PRO 68 N 5.15 0.06 0.03 4.34 -0.02 -1.24 -2.10 135.00 141.22 2jks n PRO 68 Ca -0.12 0.29 -0.02 0.00 -2.02 0.00 0.00 63.50 61.63 2jks n PRO 68 Cb 0.44 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 2jks n PRO 68 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2jks h LYS 69 N 0.00 0.00 -4.92 -0.52 1.57 -1.93 -3.39 116.57 107.38 2jks h LYS 69 Ca 0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 2jks h LYS 69 Cb 0.11 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.24 2jks h LYS 69 CO 0.00 0.38 0.74 0.21 -0.57 0.00 0.00 179.45 180.21 2jks s LYS 70 N -2.83 3.57 -0.21 3.15 2.20 -0.89 -4.79 119.74 119.94 2jks s LYS 70 Ca -0.03 -1.79 0.01 0.00 -0.36 0.00 0.00 55.97 53.80 2jks s LYS 70 Cb 0.08 -4.84 -0.14 0.00 -1.51 0.00 0.00 37.83 31.43 2jks s LYS 70 CO 0.81 -1.73 -0.19 0.25 -0.36 0.00 0.00 175.35 174.13 2jks n THR 71 N 5.37 1.22 -3.08 3.43 -2.24 -1.26 -1.28 114.28 116.44 2jks n THR 71 Ca 0.21 -0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 2jks n THR 71 Cb 0.49 -1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 67.38 2jks n THR 71 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jks s THR 72 N -2.42 4.88 0.00 4.28 -4.23 -1.26 -4.90 115.64 111.98 2jks s THR 72 Ca -0.29 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 2jks s THR 72 Cb 0.08 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.89 2jks s THR 72 CO 0.49 0.35 0.00 -0.46 -0.54 0.00 0.00 174.62 174.46 2jks n ASN 73 N 3.03 0.00 0.00 3.99 2.04 -1.26 -5.05 115.26 118.01 2jks n ASN 73 Ca -0.04 -0.94 0.00 0.00 -0.44 0.00 0.00 54.58 53.17 2jks n ASN 73 Cb 0.51 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.76 2jks n ASN 73 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jks n GLY 74 N 0.00 1.93 3.67 4.83 0.00 -1.26 -5.11 105.19 109.25 2jks n GLY 74 Ca 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2jks n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jks s THR 75 N 4.05 4.65 0.30 2.61 -1.32 -1.26 -4.85 115.64 119.83 2jks s THR 75 Ca 0.00 1.96 -0.29 0.00 -1.21 0.00 0.00 61.69 62.15 2jks s THR 75 Cb 0.00 -4.26 -0.10 0.00 -1.51 0.00 0.00 72.50 66.63 2jks s THR 75 CO 0.00 -0.10 1.29 -0.69 -2.21 0.00 0.00 174.62 172.91 2jks s VAL 76 N 2.74 2.87 -0.56 5.08 1.01 -1.26 -1.33 120.40 128.96 2jks s VAL 76 Ca 0.47 0.85 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 2jks s VAL 76 Cb -0.17 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2jks s VAL 76 CO 0.12 0.19 0.93 0.00 0.00 0.00 0.00 175.10 176.34 2jks s GLN 78 N 3.91 4.24 -0.22 0.00 -0.21 -1.26 -1.18 119.66 124.94 2jks s GLN 78 Ca 0.29 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.82 2jks s GLN 78 Cb -0.13 -3.46 0.03 0.00 1.00 0.00 0.00 33.01 30.44 2jks s GLN 78 CO 0.18 0.14 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.30 2jks s PHE 79 N 0.75 2.96 0.00 0.91 0.08 -0.14 -4.94 117.98 117.60 2jks s PHE 79 Ca 0.18 -1.69 0.00 0.00 0.12 0.00 0.00 56.93 55.53 2jks s PHE 79 Cb -0.14 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 2jks s PHE 79 CO 0.06 -0.78 0.00 0.41 -0.10 0.00 0.00 175.22 174.81 2jks n GLY 80 N 4.61 0.05 0.17 4.36 0.00 -1.26 -0.43 105.19 112.69 2jks n GLY 80 Ca -0.18 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 44.96 2jks n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jks h ALA 81 N -0.62 0.83 0.00 4.61 0.00 -1.99 -3.39 119.26 118.70 2jks h ALA 81 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2jks h ALA 81 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jks h ALA 81 CO 0.00 0.00 -1.31 0.27 0.00 0.00 0.00 179.25 178.21 2jks n ASN 82 N -2.82 3.80 -4.87 0.00 0.23 -1.25 -5.08 115.26 105.27 2jks n ASN 82 Ca 0.03 -0.01 -0.30 0.00 -0.53 0.00 0.00 54.58 53.77 2jks n ASN 82 Cb 0.52 0.41 -0.02 0.00 -2.08 0.00 0.00 39.78 38.60 2jks n ASN 82 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2jks s GLY 83 N -3.84 1.90 -0.05 4.83 0.00 0.43 -4.94 107.32 105.65 2jks s GLY 83 Ca -0.04 -0.13 -0.09 0.00 0.00 0.00 0.00 44.72 44.47 2jks s GLY 83 CO 0.17 0.09 0.22 -0.45 0.00 0.00 0.00 173.10 173.13 2jks s SER 84 N -3.34 -0.16 -0.37 1.64 0.15 -1.26 -0.96 113.70 109.41 2jks s SER 84 Ca 0.53 0.22 0.14 0.00 0.70 0.00 0.00 55.95 57.54 2jks s SER 84 Cb -0.10 0.37 0.40 0.00 -1.71 0.00 0.00 66.02 64.98 2jks s SER 84 CO 0.35 -0.21 0.85 0.00 1.20 0.00 0.00 173.24 175.42 2jks n ALA 85 N 2.29 2.85 -0.36 5.45 0.00 -0.33 -4.90 120.51 125.51 2jks n ALA 85 Ca -0.17 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 49.86 2jks n ALA 85 Cb 0.57 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2jks n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jks n GLY 86 N 0.08 1.32 3.16 0.00 0.00 -1.26 -3.63 105.19 104.87 2jks n GLY 86 Ca 0.20 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2jks n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jks s THR 87 N 0.00 0.83 0.06 2.61 2.01 -0.40 -1.01 115.64 119.74 2jks s THR 87 Ca 0.00 -1.68 -0.31 0.00 0.31 0.00 0.00 61.69 60.02 2jks s THR 87 Cb 0.00 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.04 2jks s THR 87 CO 0.00 -0.64 1.72 -1.61 -0.69 0.00 0.00 174.62 173.40 2jks s GLU 88 N -3.00 4.18 0.17 4.92 2.02 -0.44 0.20 118.70 126.75 2jks s GLU 88 Ca 0.06 2.39 0.03 0.00 0.02 0.00 0.00 54.97 57.47 2jks s GLU 88 Cb -0.01 -3.70 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 2jks s GLU 88 CO -0.01 -0.79 -0.04 0.14 0.02 0.00 0.00 175.26 174.58 2jks s VAL 89 N 3.01 0.91 0.50 2.63 -7.23 -0.26 -4.71 120.40 115.25 2jks s VAL 89 Ca 0.77 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.86 2jks s VAL 89 Cb -0.40 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2jks s VAL 89 CO 0.34 -0.58 0.82 0.42 -0.31 0.00 0.00 175.10 175.78 2jks s THR 90 N -3.50 4.88 0.14 5.32 -4.23 -1.26 -1.13 115.64 115.87 2jks s THR 90 Ca 0.21 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 2jks s THR 90 Cb 0.05 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2jks s THR 90 CO 0.03 -0.88 1.56 -0.07 -0.54 0.00 0.00 174.62 174.72 2jks h LEU 91 N 0.18 0.88 -1.57 4.79 3.38 -1.81 -1.36 115.31 119.81 2jks h LEU 91 Ca -0.47 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.19 2jks h LEU 91 Cb 1.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2jks h LEU 91 CO 0.62 1.02 0.34 0.07 0.09 0.00 0.00 178.44 180.58 2jks h LYS 92 N 0.72 0.55 -0.07 1.13 2.10 -1.83 0.29 116.57 119.46 2jks h LYS 92 Ca 0.12 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.60 2jks h LYS 92 Cb 0.62 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 31.84 2jks h LYS 92 CO 0.04 0.36 -0.51 -0.44 -2.00 0.00 0.00 179.45 176.91 2jks h ASP 93 N 0.56 0.57 -0.76 7.07 3.32 -1.80 -1.03 116.42 124.35 2jks h ASP 93 Ca 0.21 -0.67 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2jks h ASP 93 Cb 0.14 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2jks h ASP 93 CO -0.06 1.15 0.38 0.25 -1.72 0.00 0.00 179.24 179.25 2jks h LEU 94 N 0.03 0.98 0.00 1.55 5.85 -0.65 -2.90 115.31 120.17 2jks h LEU 94 Ca -0.04 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2jks h LEU 94 Cb 1.17 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2jks h LEU 94 CO 0.10 0.82 -0.14 0.18 -0.34 0.00 0.00 178.44 179.07 2jks n LEU 95 N -4.41 0.68 -3.64 2.25 4.77 0.97 -4.93 117.00 112.69 2jks n LEU 95 Ca 0.07 0.48 -0.23 0.00 -0.03 0.00 0.00 56.01 56.30 2jks n LEU 95 Cb 0.12 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2jks n LEU 95 CO 0.39 -0.12 0.10 -0.62 -1.33 0.00 0.00 177.39 175.80 2jks n GLU 96 N -2.11 -6.28 -4.60 3.23 1.02 -0.47 -4.51 120.64 106.91 2jks n GLU 96 Ca 0.05 0.73 -0.27 0.00 -0.02 0.00 0.00 57.16 57.65 2jks n GLU 96 Cb 0.42 -5.61 -0.10 0.00 -0.02 0.00 0.00 31.44 26.12 2jks n GLU 96 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2jks s THR 97 N -3.42 1.71 -0.09 2.62 -4.23 -0.75 -4.97 115.64 106.51 2jks s THR 97 Ca 0.28 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.94 2jks s THR 97 Cb -0.13 -2.85 -0.18 0.00 1.34 0.00 0.00 72.50 70.68 2jks s THR 97 CO 0.77 0.00 0.71 0.47 -0.54 0.00 0.00 174.62 176.04 2jks n ASP 98 N -0.96 0.81 -4.80 3.99 8.00 -1.26 -4.75 116.55 117.58 2jks n ASP 98 Ca -0.06 0.37 -0.39 0.00 0.71 0.00 0.00 54.79 55.42 2jks n ASP 98 Cb 0.67 0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 2jks n ASP 98 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2jks s ARG 99 N -2.78 4.24 0.06 -1.24 3.52 -1.26 -5.03 118.95 116.46 2jks s ARG 99 Ca -0.04 0.74 -0.31 0.00 -0.13 0.00 0.00 55.73 55.99 2jks s ARG 99 Cb 0.08 -3.27 -0.08 0.00 -1.56 0.00 0.00 34.95 30.12 2jks s ARG 99 CO 0.82 0.56 1.66 0.42 -0.81 0.00 0.00 175.30 177.95 2jks s ILE 100 N -0.83 3.05 -0.05 4.11 -1.09 -1.26 -4.65 121.20 120.48 2jks s ILE 100 Ca 0.30 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.21 2jks s ILE 100 Cb -0.19 -3.31 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 2jks s ILE 100 CO 0.19 -0.00 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.11 2jks s VAL 101 N 2.76 0.84 0.05 2.92 1.01 -1.26 -5.03 120.40 121.68 2jks s VAL 101 Ca 0.74 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 2jks s VAL 101 Cb -0.40 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2jks s VAL 101 CO 0.32 0.28 0.12 0.20 0.00 0.00 0.00 175.10 176.02 2jks s ASN 102 N 0.69 0.17 0.50 3.32 -0.87 -1.26 -4.20 114.94 113.29 2jks s ASN 102 Ca -0.12 -0.56 -0.23 0.00 -1.57 0.00 0.00 52.86 50.38 2jks s ASN 102 Cb -0.14 0.25 -0.06 0.00 -0.02 0.00 0.00 41.25 41.28 2jks s ASN 102 CO 0.02 -0.56 1.32 0.26 -2.57 0.00 0.00 177.10 175.57 2jks s TRP 103 N -2.89 2.48 -0.11 2.20 0.52 -1.25 -4.70 118.94 115.19 2jks s TRP 103 Ca -0.03 1.40 0.03 0.00 0.02 0.00 0.00 56.10 57.52 2jks s TRP 103 Cb 0.01 -3.72 0.01 0.00 -1.15 0.00 0.00 33.47 28.62 2jks s TRP 103 CO -0.06 -2.54 -0.21 0.15 0.02 0.00 0.00 176.95 174.32 2jks s LYS 104 N -2.74 2.77 0.33 4.98 1.02 0.63 -4.31 119.74 122.41 2jks s LYS 104 Ca 0.67 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 2jks s LYS 104 Cb -0.38 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 34.66 2jks s LYS 104 CO 0.46 0.09 1.44 0.54 -0.92 0.00 0.00 175.35 176.96 2jks s VAL 105 N 0.57 2.35 -0.24 3.17 0.11 -1.26 -0.93 120.40 124.17 2jks s VAL 105 Ca -0.14 0.33 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 2jks s VAL 105 Cb -0.17 -3.21 -0.01 0.00 -1.53 0.00 0.00 36.38 31.46 2jks s VAL 105 CO 0.05 0.07 0.81 0.20 -3.33 0.00 0.00 175.10 172.90 2jks s ASN 106 N -0.06 6.82 -0.18 3.54 0.01 0.25 -4.90 114.94 120.41 2jks s ASN 106 Ca 0.54 1.01 -0.05 0.00 -0.71 0.00 0.00 52.86 53.66 2jks s ASN 106 Cb -0.44 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 38.76 2jks s ASN 106 CO 0.55 -0.50 0.00 -1.61 -1.51 0.00 0.00 177.10 174.03 2jks s GLU 107 N 2.78 3.72 0.00 -0.60 2.02 -1.26 -4.74 118.70 120.62 2jks s GLU 107 Ca 0.34 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2jks s GLU 107 Cb -0.15 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.01 2jks s GLU 107 CO 0.08 0.14 0.00 1.04 0.02 0.00 0.00 175.26 176.54 2jks n GLN 108 N 3.86 0.00 -3.57 1.61 6.02 -1.26 -5.25 117.38 118.80 2jks n GLN 108 Ca -0.17 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.61 2jks n GLN 108 Cb 0.52 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.79 2jks n GLN 108 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jks n SER 115 N 0.00 -5.80 -4.78 1.08 2.88 -1.26 -5.09 113.62 100.65 2jks n SER 115 Ca 0.00 -0.75 -0.37 0.00 -1.33 0.00 0.00 58.87 56.43 2jks n SER 115 Cb 0.00 -3.19 -0.04 0.00 -0.75 0.00 0.00 64.21 60.23 2jks n SER 115 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jks s GLN 116 N -4.81 4.15 0.02 -1.46 -0.21 -0.69 -4.80 119.66 111.85 2jks s GLN 116 Ca 0.16 1.52 0.00 0.00 0.02 0.00 0.00 55.36 57.07 2jks s GLN 116 Cb -0.06 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.40 2jks s GLN 116 CO 0.85 -0.16 -0.03 0.21 -2.12 0.00 0.00 175.29 174.04 2jks s LYS 117 N -2.50 0.26 0.06 2.91 2.20 -1.26 -0.39 119.74 121.02 2jks s LYS 117 Ca 0.58 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 2jks s LYS 117 Cb -0.22 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 2jks s LYS 117 CO 0.28 -0.01 -0.10 -1.58 -0.36 0.00 0.00 175.35 173.58 2jks s TRP 118 N -0.95 0.88 -0.02 4.03 0.51 0.43 -0.58 118.94 123.24 2jks s TRP 118 Ca -0.09 -0.56 0.04 0.00 -2.12 0.00 0.00 56.10 53.37 2jks s TRP 118 Cb -0.07 -0.51 -0.01 0.00 -0.81 0.00 0.00 33.47 32.08 2jks s TRP 118 CO -0.00 -0.04 -0.13 -1.12 -0.51 0.00 0.00 176.95 175.15 2jks s SER 119 N -1.91 1.55 -0.19 2.95 0.01 -0.11 -0.78 113.70 115.23 2jks s SER 119 Ca -0.03 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2jks s SER 119 Cb -0.07 -0.28 0.04 0.00 0.21 0.00 0.00 66.02 65.92 2jks s SER 119 CO 0.00 0.14 -0.11 -0.22 0.41 0.00 0.00 173.24 173.45 2jks s LEU 120 N -0.12 2.13 -0.31 2.44 2.96 -0.19 -0.27 118.68 125.32 2jks s LEU 120 Ca 0.02 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 53.11 2jks s LEU 120 Cb -0.07 -1.22 0.05 0.00 0.50 0.00 0.00 46.19 45.45 2jks s LEU 120 CO 0.00 -0.12 0.02 -0.70 -1.32 0.00 0.00 176.35 174.23 2jks s GLU 121 N 1.42 2.49 0.39 1.98 2.12 -1.26 -0.57 118.70 125.27 2jks s GLU 121 Ca 0.00 -1.23 -0.19 0.00 0.36 0.00 0.00 54.97 53.91 2jks s GLU 121 Cb -0.15 -3.24 -0.10 0.00 0.26 0.00 0.00 34.13 30.89 2jks s GLU 121 CO -0.09 -0.62 0.87 -0.51 -0.54 0.00 0.00 175.26 174.37 2jks s LEU 122 N 1.29 4.01 0.34 2.70 1.43 0.90 -4.98 118.68 124.37 2jks s LEU 122 Ca -0.04 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 2jks s LEU 122 Cb -0.20 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2jks s LEU 122 CO -0.00 -0.29 0.30 -1.00 0.23 0.00 0.00 176.35 175.59 2jks s HIS 123 N -2.08 2.90 0.33 0.29 3.76 -1.26 -4.79 115.29 114.45 2jks s HIS 123 Ca 0.58 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.20 2jks s HIS 123 Cb -0.10 -1.81 0.58 0.00 1.11 0.00 0.00 32.58 32.35 2jks s HIS 123 CO 0.15 0.17 1.99 -0.91 -0.85 0.00 0.00 174.74 175.29 2jks h ASN 124 N 1.23 0.80 0.55 1.40 2.35 -1.98 0.13 115.58 120.06 2jks h ASN 124 Ca -0.45 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2jks h ASN 124 Cb 1.25 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2jks h ASN 124 CO 0.58 0.57 0.00 -1.84 -1.65 0.00 0.00 177.43 175.10 2jks n GLU 125 N -4.43 0.13 0.06 0.81 0.00 -1.26 -1.76 120.64 114.18 2jks n GLU 125 Ca 0.08 0.41 0.12 0.00 0.00 0.00 0.00 57.16 57.77 2jks n GLU 125 Cb 0.05 -1.77 0.21 0.00 0.00 0.00 0.00 31.44 29.94 2jks n GLU 125 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2jks n ASP 126 N -2.01 0.69 -4.71 -1.84 8.00 0.46 -4.81 116.55 112.33 2jks n ASP 126 Ca 0.02 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 2jks n ASP 126 Cb 0.18 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2jks n ASP 126 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jks s LEU 127 N -4.18 4.36 0.83 0.64 1.43 -0.72 -4.91 118.68 116.13 2jks s LEU 127 Ca 0.07 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2jks s LEU 127 Cb 0.14 -3.58 0.09 0.00 0.03 0.00 0.00 46.19 42.86 2jks s LEU 127 CO 0.70 -0.75 1.10 -2.16 0.23 0.00 0.00 176.35 175.46 2jks s PRO 128 N 1.60 1.81 0.28 1.29 0.04 -1.26 -4.48 135.00 134.28 2jks s PRO 128 Ca 0.68 0.70 0.26 0.00 0.04 0.00 0.00 61.00 62.68 2jks s PRO 128 Cb -0.38 -1.88 0.76 0.00 0.04 0.00 0.00 34.50 33.03 2jks s PRO 128 CO 0.30 -1.82 1.74 -0.07 0.04 0.00 0.00 177.00 177.19 2jks h LEU 129 N -1.24 0.00 -8.47 -3.56 3.38 -1.92 -1.08 115.31 102.42 2jks h LEU 129 Ca -0.48 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.21 2jks h LEU 129 Cb 1.27 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.86 2jks h LEU 129 CO 0.58 0.00 -0.72 0.42 0.09 0.00 0.00 178.44 178.81 2jks s THR 130 N -3.17 0.88 0.19 0.22 -4.23 -1.26 -0.53 115.64 107.74 2jks s THR 130 Ca 0.09 -1.79 -0.31 0.00 -1.18 0.00 0.00 61.69 58.50 2jks s THR 130 Cb 0.10 -1.51 -0.10 0.00 1.34 0.00 0.00 72.50 72.33 2jks s THR 130 CO 0.58 -0.69 1.49 -1.81 -0.54 0.00 0.00 174.62 173.66 2jks s ASP 131 N -2.73 6.65 0.22 3.99 1.01 0.00 -4.26 116.67 121.54 2jks s ASP 131 Ca 0.09 2.59 0.09 0.00 0.71 0.00 0.00 52.55 56.03 2jks s ASP 131 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2jks s ASP 131 CO -0.01 -0.75 -0.18 -0.54 0.21 0.00 0.00 175.17 173.89 2jks s LYS 132 N 0.58 1.43 0.00 8.23 -0.14 -0.25 -4.53 119.74 125.07 2jks s LYS 132 Ca 0.65 -1.59 -0.02 0.00 -1.36 0.00 0.00 55.97 53.65 2jks s LYS 132 Cb -0.42 -1.41 -0.01 0.00 -1.68 0.00 0.00 37.83 34.31 2jks s LYS 132 CO 0.35 0.26 0.03 0.00 -0.76 0.00 0.00 175.35 175.24 2jks s ALA 133 N -2.51 -0.05 0.27 5.17 0.00 -1.26 0.61 121.76 123.98 2jks s ALA 133 Ca 0.23 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.98 2jks s ALA 133 Cb -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2jks s ALA 133 CO 0.09 -0.12 0.22 -0.59 0.00 0.00 0.00 175.76 175.37 2jks s PHE 134 N -0.91 1.42 -0.01 0.00 -0.12 -0.05 -4.67 117.98 113.65 2jks s PHE 134 Ca -0.10 -1.50 0.02 0.00 -0.05 0.00 0.00 56.93 55.31 2jks s PHE 134 Cb -0.06 -0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 41.73 2jks s PHE 134 CO -0.00 -0.78 -0.08 0.08 -0.05 0.00 0.00 175.22 174.39 2jks s VAL 135 N -3.77 0.64 0.19 -2.49 1.01 -0.27 -0.42 120.40 115.30 2jks s VAL 135 Ca 0.39 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2jks s VAL 135 Cb 0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2jks s VAL 135 CO 0.20 0.19 0.05 0.68 0.00 0.00 0.00 175.10 176.22 2jks s VAL 136 N -0.02 0.50 0.17 2.92 -7.23 -0.83 -0.86 120.40 115.04 2jks s VAL 136 Ca 0.01 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 57.96 2jks s VAL 136 Cb -0.05 -2.29 0.07 0.00 0.56 0.00 0.00 36.38 34.67 2jks s VAL 136 CO -0.00 -0.30 0.99 -0.83 -0.31 0.00 0.00 175.10 174.65 2jks s GLY 137 N -3.19 -0.10 0.07 2.32 0.00 -0.55 -0.48 107.32 105.39 2jks s GLY 137 Ca 0.29 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 45.02 2jks s GLY 137 CO 0.07 0.76 -0.16 0.00 0.00 0.00 0.00 173.10 173.77 2jks s GLN 139 N -1.66 0.97 -0.11 0.00 0.74 -0.49 -1.05 119.66 118.06 2jks s GLN 139 Ca 0.01 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.11 2jks s GLN 139 Cb -0.10 -0.91 -0.02 0.00 1.10 0.00 0.00 33.01 33.09 2jks s GLN 139 CO 0.03 0.13 -0.14 0.00 -0.55 0.00 0.00 175.29 174.76 2jks s ALA 140 N 0.12 2.60 -0.08 1.58 0.00 0.13 -0.80 121.76 125.32 2jks s ALA 140 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2jks s ALA 140 Cb -0.08 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2jks s ALA 140 CO 0.00 0.33 -0.20 0.99 0.00 0.00 0.00 175.76 176.88 2jks s THR 141 N 0.09 2.52 0.40 0.00 2.01 -0.43 -1.81 115.64 118.42 2jks s THR 141 Ca -0.06 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 2jks s THR 141 Cb -0.15 -1.98 -0.11 0.00 0.01 0.00 0.00 72.50 70.28 2jks s THR 141 CO 0.05 0.56 0.92 -0.94 -0.69 0.00 0.00 174.62 174.52 2jks s SER 142 N -0.07 6.96 -0.55 3.53 1.04 0.30 -2.80 113.70 122.10 2jks s SER 142 Ca -0.05 1.65 -0.22 0.00 0.48 0.00 0.00 55.95 57.82 2jks s SER 142 Cb -0.14 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.51 2jks s SER 142 CO 0.04 -0.31 0.83 0.00 0.98 0.00 0.00 173.24 174.79 2jks s ALA 143 N -2.10 3.24 -0.20 5.32 0.00 -1.26 -4.05 121.76 122.71 2jks s ALA 143 Ca 0.60 -1.54 -0.33 0.00 0.00 0.00 0.00 51.96 50.69 2jks s ALA 143 Cb -0.10 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.30 2jks s ALA 143 CO 0.15 -2.32 2.06 0.43 0.00 0.00 0.00 175.76 176.08 2jks n SER 149 N 7.03 3.04 -4.73 0.00 7.64 -1.26 -4.79 113.62 120.55 2jks n SER 149 Ca -0.02 0.61 -0.35 0.00 1.01 0.00 0.00 58.87 60.12 2jks n SER 149 Cb 0.46 -1.39 0.08 0.00 -1.01 0.00 0.00 64.21 62.35 2jks n SER 149 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jks s GLY 150 N 6.15 2.41 0.11 0.23 0.00 -1.26 -5.04 107.32 109.92 2jks s GLY 150 Ca 1.00 0.89 -0.14 0.00 0.00 0.00 0.00 44.72 46.47 2jks s GLY 150 CO 0.46 1.29 0.50 0.54 0.00 0.00 0.00 173.10 175.90 2jks s LYS 151 N -3.83 3.94 0.22 2.90 3.01 -1.26 -4.81 119.74 119.92 2jks s LYS 151 Ca 0.75 0.43 0.11 0.00 -1.01 0.00 0.00 55.97 56.24 2jks s LYS 151 Cb -0.29 -3.01 -0.05 0.00 -1.01 0.00 0.00 37.83 33.47 2jks s LYS 151 CO 0.43 0.54 -0.16 0.95 0.51 0.00 0.00 175.35 177.62 2jks s THR 152 N -1.37 2.75 0.12 2.17 -4.23 -1.26 -0.54 115.64 113.29 2jks s THR 152 Ca 0.34 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.84 2jks s THR 152 Cb -0.15 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2jks s THR 152 CO 0.18 -0.23 -0.06 0.00 -0.54 0.00 0.00 174.62 173.97 2jks s ALA 153 N -2.01 1.13 0.08 3.99 0.00 -0.75 -4.65 121.76 119.55 2jks s ALA 153 Ca 0.26 -1.42 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 2jks s ALA 153 Cb -0.07 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2jks s ALA 153 CO 0.14 -0.22 0.16 0.00 0.00 0.00 0.00 175.76 175.84 2jks s ALA 154 N -3.57 -0.14 -0.02 0.00 0.00 -1.26 -0.69 121.76 116.07 2jks s ALA 154 Ca 0.15 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2jks s ALA 154 Cb 0.05 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2jks s ALA 154 CO -0.02 -0.47 -0.17 0.00 0.00 0.00 0.00 175.76 175.09 2jks s LYS 156 N -0.87 3.16 -0.21 0.00 2.20 0.16 -2.19 119.74 122.00 2jks s LYS 156 Ca 0.12 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2jks s LYS 156 Cb -0.10 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 2jks s LYS 156 CO 0.01 0.13 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.85 2jks s LEU 157 N 0.50 2.61 -0.19 5.43 2.96 0.37 -1.84 118.68 128.51 2jks s LEU 157 Ca -0.13 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.04 2jks s LEU 157 Cb -0.17 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2jks s LEU 157 CO 0.05 -0.03 0.49 -0.89 -1.32 0.00 0.00 176.35 174.65 2jks s THR 158 N 1.38 5.13 -0.23 3.68 2.01 -0.53 -1.96 115.64 125.12 2jks s THR 158 Ca 0.05 0.90 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 2jks s THR 158 Cb -0.14 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2jks s THR 158 CO -0.08 0.21 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.35 2jks s VAL 159 N 1.48 3.51 -0.06 3.82 1.01 0.44 -1.31 120.40 129.30 2jks s VAL 159 Ca 0.23 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2jks s VAL 159 Cb -0.15 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2jks s VAL 159 CO 0.09 0.36 0.48 0.20 0.00 0.00 0.00 175.10 176.23 2jks s ASN 160 N 1.49 6.78 -0.22 3.32 0.01 -0.60 -0.87 114.94 124.86 2jks s ASN 160 Ca 0.05 0.93 0.01 0.00 -0.71 0.00 0.00 52.86 53.14 2jks s ASN 160 Cb -0.15 -2.29 0.03 0.00 0.41 0.00 0.00 41.25 39.25 2jks s ASN 160 CO -0.02 0.12 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.86 2jks s VAL 161 N -0.06 2.27 0.27 1.60 1.01 0.20 -0.01 120.40 125.68 2jks s VAL 161 Ca 0.26 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2jks s VAL 161 Cb -0.16 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 2jks s VAL 161 CO 0.13 0.29 1.02 -1.61 0.00 0.00 0.00 175.10 174.93 2jks s GLU 162 N 1.24 4.72 0.55 2.72 2.02 -0.30 -1.09 118.70 128.57 2jks s GLU 162 Ca -0.00 1.64 -0.21 0.00 0.02 0.00 0.00 54.97 56.42 2jks s GLU 162 Cb -0.16 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 2jks s GLU 162 CO -0.09 0.34 1.17 0.00 0.02 0.00 0.00 175.26 176.71 2jks n ALA 163 N 1.27 0.88 -0.68 5.21 0.00 -1.26 -4.54 120.51 121.38 2jks n ALA 163 Ca -0.01 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 2jks n ALA 163 Cb 0.46 -2.23 0.17 0.00 0.00 0.00 0.00 19.45 17.85 2jks n ALA 163 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jks n ARG 164 N -0.90 -0.64 -2.83 0.00 1.85 -0.41 -4.75 116.66 108.97 2jks n ARG 164 Ca 0.12 -0.13 -0.34 0.00 -1.00 0.00 0.00 57.85 56.49 2jks n ARG 164 Cb 0.45 -2.20 -0.07 0.00 -1.05 0.00 0.00 32.46 29.59 2jks n ARG 164 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jks s ALA 165 N -2.54 3.10 0.34 2.89 0.00 -1.26 -4.59 121.76 119.70 2jks s ALA 165 Ca 0.64 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 2jks s ALA 165 Cb -0.22 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 2jks s ALA 165 CO 0.61 0.15 1.39 -1.12 0.00 0.00 0.00 175.76 176.80 2jks s SER 166 N -2.03 6.58 0.12 0.00 0.01 -0.52 -4.73 113.70 113.13 2jks s SER 166 Ca 0.58 2.84 -0.13 0.00 1.31 0.00 0.00 55.95 60.56 2jks s SER 166 Cb -0.12 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.48 2jks s SER 166 CO 0.16 -0.69 0.33 -0.94 0.41 0.00 0.00 173.24 172.51 2jks s SER 167 N -0.27 -0.08 -0.15 2.44 1.04 -0.16 -4.97 113.70 111.54 2jks s SER 167 Ca 0.51 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 2jks s SER 167 Cb -0.43 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 2jks s SER 167 CO 0.56 -0.83 -0.08 -0.22 0.98 0.00 0.00 173.24 173.65 2jks s LEU 168 N -2.85 2.97 0.51 2.42 2.96 -1.26 -0.96 118.68 122.46 2jks s LEU 168 Ca 0.06 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2jks s LEU 168 Cb 0.03 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 45.02 2jks s LEU 168 CO -0.10 0.15 0.22 0.00 -1.32 0.00 0.00 176.35 175.30 2jks s ALA 169 N 0.48 4.18 0.61 5.97 0.00 0.85 -4.97 121.76 128.87 2jks s ALA 169 Ca -0.06 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 2jks s ALA 169 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2jks s ALA 169 CO 0.04 -0.24 1.00 0.39 0.00 0.00 0.00 175.76 176.94 2jks n GLU 170 N -1.49 0.90 -1.75 0.00 -0.58 -1.26 -2.29 120.64 114.16 2jks n GLU 170 Ca -0.08 0.35 -0.11 0.00 -0.42 0.00 0.00 57.16 56.91 2jks n GLU 170 Cb 0.65 -2.21 -0.03 0.00 -0.57 0.00 0.00 31.44 29.29 2jks n GLU 170 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2jks n ASN 171 N -0.92 -3.90 -3.58 1.62 3.02 -1.26 -3.72 115.26 106.53 2jks n ASN 171 Ca 0.14 0.13 -0.22 0.00 -0.03 0.00 0.00 54.58 54.60 2jks n ASN 171 Cb 0.48 -2.74 0.08 0.00 -0.61 0.00 0.00 39.78 36.98 2jks n ASN 171 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jks n ASN 172 N 0.12 -4.67 -4.53 6.41 3.02 -0.97 -4.70 115.26 109.94 2jks n ASN 172 Ca -0.12 -0.60 -0.40 0.00 -0.03 0.00 0.00 54.58 53.44 2jks n ASN 172 Cb 0.47 -4.93 -0.11 0.00 -0.61 0.00 0.00 39.78 34.60 2jks n ASN 172 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jks s VAL 173 N -3.35 5.19 -0.23 2.41 1.01 -1.16 -1.26 120.40 123.02 2jks s VAL 173 Ca 0.38 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2jks s VAL 173 Cb -0.17 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2jks s VAL 173 CO 0.74 0.06 0.17 -0.69 0.00 0.00 0.00 175.10 175.38 2jks s VAL 174 N 1.72 5.36 -0.41 2.92 1.01 0.10 -0.11 120.40 131.00 2jks s VAL 174 Ca 0.06 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 2jks s VAL 174 Cb -0.17 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2jks s VAL 174 CO 0.10 0.36 0.28 -0.89 0.00 0.00 0.00 175.10 174.95 2jks s THR 175 N 0.95 5.00 0.07 3.92 2.01 -0.14 -0.54 115.64 126.91 2jks s THR 175 Ca 0.08 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 2jks s THR 175 Cb -0.13 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 2jks s THR 175 CO 0.04 -0.32 0.51 0.00 -0.69 0.00 0.00 174.62 174.15 2jks s ALA 177 N -1.19 2.26 0.00 0.00 0.00 -1.26 -4.77 121.76 116.79 2jks s ALA 177 Ca 0.29 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2jks s ALA 177 Cb -0.17 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2jks s ALA 177 CO 0.17 -0.50 0.30 0.66 0.00 0.00 0.00 175.76 176.39 2jks n TYR 178 N -0.71 0.00 -1.05 0.00 4.01 0.31 -4.34 117.16 115.38 2jks n TYR 178 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.43 2jks n TYR 178 Cb 0.64 0.04 0.12 0.00 -0.31 0.00 0.00 39.34 39.84 2jks n TYR 178 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jks s GLY 179 N 0.00 1.80 0.34 2.72 0.00 -1.21 -1.50 107.32 109.48 2jks s GLY 179 Ca 0.00 0.52 0.13 0.00 0.00 0.00 0.00 44.72 45.37 2jks s GLY 179 CO 0.00 0.91 1.60 1.70 0.00 0.00 0.00 173.10 177.31 2jks h LYS 180 N -1.29 0.09 -0.48 2.90 3.64 -1.96 -1.61 116.57 117.86 2jks h LYS 180 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2jks h LYS 180 Cb 1.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2jks h LYS 180 CO 0.47 0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.12 2jks n GLY 181 N -1.33 2.01 0.19 5.01 0.00 -1.26 -4.63 105.19 105.18 2jks n GLY 181 Ca 0.31 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.72 2jks n GLY 181 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jks h SER 182 N 3.98 0.00 -2.11 1.61 0.02 -1.54 -3.39 113.55 112.12 2jks h SER 182 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2jks h SER 182 Cb 0.93 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.06 2jks h SER 182 CO 0.00 0.29 -0.96 0.59 -1.14 0.00 0.00 176.83 175.61 2jks n ASN 183 N -3.27 2.24 0.25 3.07 4.13 -1.26 -1.44 115.26 118.98 2jks n ASN 183 Ca 0.01 -3.25 0.08 0.00 1.68 0.00 0.00 54.58 53.10 2jks n ASN 183 Cb 0.56 -0.60 0.61 0.00 -1.54 0.00 0.00 39.78 38.81 2jks n ASN 183 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2jks h PRO 184 N 3.14 0.00 -3.55 3.52 0.13 -1.92 -3.45 132.00 129.87 2jks h PRO 184 Ca 0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.18 2jks h PRO 184 Cb 0.78 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.78 2jks h PRO 184 CO 0.63 0.10 -0.17 -0.80 -0.23 0.00 0.00 178.00 177.53 2jks s ASN 185 N -6.87 -0.11 0.61 1.44 0.01 -1.26 -5.15 114.94 103.60 2jks s ASN 185 Ca -0.04 -0.48 -0.20 0.00 -0.71 0.00 0.00 52.86 51.43 2jks s ASN 185 Cb 0.16 0.44 -0.03 0.00 0.41 0.00 0.00 41.25 42.23 2jks s ASN 185 CO 0.66 -0.84 1.30 -2.65 -1.51 0.00 0.00 177.10 174.06 2jks n PRO 186 N -0.19 1.33 -2.68 -0.60 -0.02 -1.26 -4.81 135.00 126.77 2jks n PRO 186 Ca -0.14 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 2jks n PRO 186 Cb 0.63 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2jks n PRO 186 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jks s VAL 187 N -1.35 4.55 -0.11 -1.45 1.01 0.68 -4.89 120.40 118.84 2jks s VAL 187 Ca 0.78 1.67 -0.18 0.00 0.00 0.00 0.00 61.98 64.25 2jks s VAL 187 Cb -0.40 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 2jks s VAL 187 CO 0.44 -0.44 0.48 -1.61 0.00 0.00 0.00 175.10 173.97 2jks s GLU 188 N 3.55 4.33 -0.04 2.72 2.02 -1.26 -0.96 118.70 129.05 2jks s GLU 188 Ca 0.44 0.46 0.02 0.00 0.02 0.00 0.00 54.97 55.91 2jks s GLU 188 Cb -0.12 -3.43 0.01 0.00 0.10 0.00 0.00 34.13 30.69 2jks s GLU 188 CO 0.15 0.18 -0.10 0.08 0.02 0.00 0.00 175.26 175.59 2jks s VAL 189 N 0.54 0.90 -0.12 2.63 1.01 -0.69 -4.98 120.40 119.69 2jks s VAL 189 Ca 0.26 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2jks s VAL 189 Cb -0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2jks s VAL 189 CO 0.11 0.29 0.11 -0.70 0.00 0.00 0.00 175.10 174.90 2jks s GLU 190 N 0.40 3.42 0.11 2.72 2.12 -1.26 -1.03 118.70 125.18 2jks s GLU 190 Ca -0.07 -0.20 0.10 0.00 0.36 0.00 0.00 54.97 55.16 2jks s GLU 190 Cb -0.12 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2jks s GLU 190 CO 0.01 0.71 -0.26 -1.64 -0.54 0.00 0.00 175.26 173.55 2jks s MET 191 N -0.86 1.44 0.21 4.30 -1.94 -0.41 -4.93 119.30 117.12 2jks s MET 191 Ca 0.14 -1.27 -0.21 0.00 -1.71 0.00 0.00 55.69 52.63 2jks s MET 191 Cb -0.12 -1.84 0.07 0.00 2.01 0.00 0.00 34.83 34.96 2jks s MET 191 CO 0.03 0.44 1.01 -1.54 -0.01 0.00 0.00 175.02 174.96 2jks s SER 192 N -1.86 0.01 0.20 3.03 1.04 -0.67 -0.05 113.70 115.40 2jks s SER 192 Ca 0.12 -0.74 -0.17 0.00 0.48 0.00 0.00 55.95 55.65 2jks s SER 192 Cb -0.10 0.54 0.19 0.00 0.10 0.00 0.00 66.02 66.76 2jks s SER 192 CO 0.05 -1.08 1.61 0.74 0.98 0.00 0.00 173.24 175.54 2jks h THR 193 N 2.00 0.27 0.00 2.02 2.02 -1.80 -1.52 112.91 115.91 2jks h THR 193 Ca -0.28 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2jks h THR 193 Cb 1.22 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2jks h THR 193 CO 0.37 0.00 -0.00 -0.33 0.37 0.00 0.00 175.52 175.93 2jks h GLU 194 N -0.08 0.00 -2.15 6.66 5.08 -1.97 -3.35 114.58 118.78 2jks h GLU 194 Ca 0.28 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.05 2jks h GLU 194 Cb 0.51 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.35 2jks h GLU 194 CO -0.66 0.00 -0.73 1.63 -1.00 0.00 0.00 179.01 178.25 2jks n LYS 195 N -3.10 2.13 -0.43 2.33 4.76 -0.61 -4.93 118.16 118.31 2jks n LYS 195 Ca 0.03 -4.32 0.10 0.00 -2.87 0.00 0.00 58.31 51.25 2jks n LYS 195 Cb 0.45 -2.00 0.31 0.00 -1.84 0.00 0.00 35.03 31.95 2jks n LYS 195 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2jks n ASN 196 N 0.86 3.91 -4.50 4.39 6.94 -0.96 -1.67 115.26 124.23 2jks n ASN 196 Ca 0.28 -2.17 -0.24 0.00 -0.02 0.00 0.00 54.58 52.43 2jks n ASN 196 Cb 0.44 -0.49 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 2jks n ASN 196 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2jks s THR 197 N -1.41 2.65 -0.10 5.53 -4.23 -1.26 -1.04 115.64 115.78 2jks s THR 197 Ca 0.45 -2.32 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2jks s THR 197 Cb 0.26 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.76 2jks s THR 197 CO 0.27 -0.39 0.22 -0.22 -0.54 0.00 0.00 174.62 173.95 2jks s LEU 198 N -3.53 0.11 -0.12 4.79 2.96 0.30 -4.77 118.68 118.42 2jks s LEU 198 Ca 0.30 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 2jks s LEU 198 Cb -0.05 0.56 -0.01 0.00 0.50 0.00 0.00 46.19 47.18 2jks s LEU 198 CO 0.16 -0.21 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.93 2jks s THR 199 N 1.88 2.78 -0.22 3.68 2.01 -0.39 0.01 115.64 125.39 2jks s THR 199 Ca -0.03 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2jks s THR 199 Cb -0.11 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.27 2jks s THR 199 CO -0.07 0.54 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.67 2jks s ILE 200 N 0.30 2.87 -0.38 1.82 -1.09 -0.28 0.00 121.20 124.44 2jks s ILE 200 Ca -0.12 -0.80 -0.10 0.00 -2.23 0.00 0.00 60.65 57.40 2jks s ILE 200 Cb -0.16 -2.34 0.04 0.00 -1.58 0.00 0.00 42.46 38.42 2jks s ILE 200 CO 0.06 0.37 0.20 0.20 -1.23 0.00 0.00 174.94 174.55 2jks s ASN 201 N 1.38 5.65 0.27 3.58 0.01 0.30 -1.91 114.94 124.21 2jks s ASN 201 Ca 0.04 -1.15 0.23 0.00 -0.71 0.00 0.00 52.86 51.27 2jks s ASN 201 Cb -0.15 -1.99 0.30 0.00 0.41 0.00 0.00 41.25 39.82 2jks s ASN 201 CO -0.06 -0.42 1.40 0.00 -1.51 0.00 0.00 177.10 176.51 2jks n GLY 203 N 1.20 -1.51 0.00 0.00 0.00 -1.25 -3.44 105.19 100.19 2jks n GLY 203 Ca 0.03 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.76 2jks n GLY 203 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jks n SER 204 N -2.02 0.03 -0.39 1.61 3.41 -1.26 -3.03 113.62 111.97 2jks n SER 204 Ca 0.00 0.30 0.14 0.00 -0.26 0.00 0.00 58.87 59.05 2jks n SER 204 Cb 0.19 -0.41 0.47 0.00 -0.26 0.00 0.00 64.21 64.20 2jks n SER 204 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jks n ASP 205 N -1.44 1.32 -4.17 4.04 8.00 -1.26 -4.91 116.55 118.13 2jks n ASP 205 Ca 0.09 -1.27 -0.16 0.00 0.71 0.00 0.00 54.79 54.15 2jks n ASP 205 Cb 0.32 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 2jks n ASP 205 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2jks s GLY 206 N -2.18 1.79 -0.01 0.44 0.00 -1.17 -1.23 107.32 104.96 2jks s GLY 206 Ca 0.33 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 43.26 2jks s GLY 206 CO 0.40 -1.55 -0.04 -0.56 0.00 0.00 0.00 173.10 171.35 2jks s SER 207 N -3.30 0.55 0.29 1.64 0.01 0.63 -4.67 113.70 108.85 2jks s SER 207 Ca 0.37 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 2jks s SER 207 Cb 0.07 -0.14 -0.11 0.00 0.21 0.00 0.00 66.02 66.05 2jks s SER 207 CO 0.15 0.01 1.56 -0.76 0.41 0.00 0.00 173.24 174.61 2jks s LEU 208 N 0.24 4.35 -0.05 2.44 1.43 -1.26 -1.05 118.68 124.78 2jks s LEU 208 Ca -0.02 2.91 0.04 0.00 -1.03 0.00 0.00 54.13 56.02 2jks s LEU 208 Cb -0.06 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2jks s LEU 208 CO -0.00 -0.87 -0.15 -1.58 0.23 0.00 0.00 176.35 173.98 2jks s GLN 209 N -0.59 1.63 0.81 1.70 2.00 0.84 -3.63 119.66 122.43 2jks s GLN 209 Ca 0.62 -0.51 -0.11 0.00 -2.00 0.00 0.00 55.36 53.35 2jks s GLN 209 Cb -0.47 -1.41 0.08 0.00 0.80 0.00 0.00 33.01 32.01 2jks s GLN 209 CO 0.48 0.17 1.09 -1.25 -0.50 0.00 0.00 175.29 175.28 2jks s PRO 210 N 0.21 1.99 0.56 1.67 0.04 -1.26 -1.20 135.00 137.01 2jks s PRO 210 Ca -0.06 0.80 0.25 0.00 0.04 0.00 0.00 61.00 62.02 2jks s PRO 210 Cb -0.12 -1.90 1.56 0.00 0.04 0.00 0.00 34.50 34.08 2jks s PRO 210 CO 0.02 -1.72 2.15 1.15 0.04 0.00 0.00 177.00 178.64 2jks h THR 211 N -1.17 0.69 -0.53 1.26 2.02 -1.96 -1.98 112.91 111.23 2jks h THR 211 Ca -0.47 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.47 2jks h THR 211 Cb 1.26 0.93 -0.14 0.00 -1.74 0.00 0.00 68.15 68.46 2jks h THR 211 CO 0.57 0.00 0.31 0.35 0.37 0.00 0.00 175.52 177.11 2jks n THR 212 N -4.12 2.16 0.25 3.16 -2.24 -1.26 -4.69 114.28 107.54 2jks n THR 212 Ca -0.00 -1.06 0.13 0.00 -2.27 0.00 0.00 64.05 60.85 2jks n THR 212 Cb 0.20 -0.63 0.80 0.00 -2.10 0.00 0.00 70.33 68.61 2jks n THR 212 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2jks h TYR 213 N 0.95 0.00 0.00 4.78 -0.00 -1.50 0.13 116.97 121.33 2jks h TYR 213 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.03 2jks h TYR 213 Cb 1.95 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.68 2jks h TYR 213 CO 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 179.04 2jks h ALA 214 N 1.94 1.00 0.00 0.10 0.00 -1.87 -3.22 119.26 117.21 2jks h ALA 214 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jks h ALA 214 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jks h ALA 214 CO -0.00 0.00 -0.71 0.39 0.00 0.00 0.00 179.25 178.93 2jks n GLU 215 N -2.93 1.94 -4.30 0.00 1.02 -0.20 -4.51 120.64 111.66 2jks n GLU 215 Ca -0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 2jks n GLU 215 Cb 0.15 -0.85 -0.10 0.00 -0.02 0.00 0.00 31.44 30.61 2jks n GLU 215 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2jks s GLU 216 N -1.46 1.19 0.37 3.49 2.02 0.29 -1.42 118.70 123.18 2jks s GLU 216 Ca 0.00 -1.46 0.03 0.00 0.02 0.00 0.00 54.97 53.56 2jks s GLU 216 Cb 0.00 -0.97 -0.04 0.00 0.10 0.00 0.00 34.13 33.21 2jks s GLU 216 CO 0.00 0.16 0.09 1.52 0.02 0.00 0.00 175.26 177.06 2jks s TYR 217 N -2.78 1.85 -0.11 1.61 -0.85 0.29 -4.05 117.35 113.31 2jks s TYR 217 Ca 0.17 -1.13 -0.20 0.00 -0.52 0.00 0.00 57.07 55.39 2jks s TYR 217 Cb -0.01 -1.22 -0.04 0.00 0.38 0.00 0.00 41.96 41.07 2jks s TYR 217 CO 0.04 -0.15 0.57 0.00 -1.52 0.00 0.00 175.55 174.50 2jks n VAL 219 N 3.81 0.49 0.30 0.00 0.31 0.07 -2.13 118.33 121.19 2jks n VAL 219 Ca -0.04 -0.12 0.15 0.00 -0.01 0.00 0.00 64.34 64.31 2jks n VAL 219 Cb 0.51 -0.68 0.49 0.00 -0.91 0.00 0.00 33.84 33.25 2jks n VAL 219 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jks h ALA 220 N 3.65 1.00 -0.74 3.52 0.00 -1.89 -3.29 119.26 121.51 2jks h ALA 220 Ca -0.45 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.57 2jks h ALA 220 Cb 1.36 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2jks h ALA 220 CO 0.72 0.00 0.49 -0.44 0.00 0.00 0.00 179.25 180.01 2jks h ASP 221 N 0.00 0.52 0.39 0.00 3.32 -1.96 -1.05 116.42 117.65 2jks h ASP 221 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2jks h ASP 221 Cb 0.65 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 2jks h ASP 221 CO 0.00 0.30 -0.11 0.77 -1.72 0.00 0.00 179.24 178.48 2jks h SER 222 N 0.58 0.00 -3.67 6.45 4.64 -1.85 -3.46 113.55 116.23 2jks h SER 222 Ca 0.35 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.48 2jks h SER 222 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2jks h SER 222 CO -0.12 0.11 -0.23 0.29 -0.87 0.00 0.00 176.83 176.01 2jks n LYS 223 N -3.59 -2.21 -3.44 4.77 4.76 -0.40 -4.91 118.16 113.14 2jks n LYS 223 Ca -0.02 0.47 -0.06 0.00 -2.87 0.00 0.00 58.31 55.83 2jks n LYS 223 Cb 0.24 -4.97 -0.07 0.00 -1.84 0.00 0.00 35.03 28.39 2jks n LYS 223 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2jks s ASP 224 N -1.98 -0.31 0.64 4.39 2.15 -1.26 -4.75 116.67 115.53 2jks s ASP 224 Ca 0.00 0.70 0.38 0.00 0.43 0.00 0.00 52.55 54.05 2jks s ASP 224 Cb 0.00 1.47 2.14 0.00 -0.30 0.00 0.00 42.92 46.24 2jks s ASP 224 CO 0.00 -0.26 2.30 1.62 -0.17 0.00 0.00 175.17 178.66 2jks h VAL 225 N 6.13 0.23 0.00 1.11 3.04 -1.90 -0.80 116.25 124.06 2jks h VAL 225 Ca -0.19 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2jks h VAL 225 Cb 1.14 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2jks h VAL 225 CO 0.21 0.00 0.00 0.78 -1.01 0.00 0.00 177.57 177.55 2jks h ASN 226 N 0.00 0.00 -3.05 3.17 2.35 -1.95 -3.31 115.58 112.79 2jks h ASN 226 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.08 2jks h ASN 226 Cb 0.05 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.04 2jks h ASN 226 CO -0.00 0.00 -0.20 0.54 -1.65 0.00 0.00 177.43 176.12 2jks n ARG 227 N -2.91 2.60 -3.52 0.81 1.74 -0.31 -5.06 116.66 110.01 2jks n ARG 227 Ca 0.01 -4.52 -0.42 0.00 -0.77 0.00 0.00 57.85 52.15 2jks n ARG 227 Cb 0.32 -2.37 -0.10 0.00 -1.02 0.00 0.00 32.46 29.29 2jks n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jks s SER 229 N 1.89 6.13 0.33 0.00 0.01 -1.26 -4.96 113.70 115.85 2jks s SER 229 Ca 0.03 -0.24 -0.27 0.00 1.31 0.00 0.00 55.95 56.78 2jks s SER 229 Cb -0.21 -2.17 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 2jks s SER 229 CO 0.07 -0.27 1.05 0.42 0.41 0.00 0.00 173.24 174.92 2jks s THR 230 N 1.90 3.68 -0.02 1.44 -4.23 -1.26 -0.75 115.64 116.41 2jks s THR 230 Ca 0.10 1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 62.00 2jks s THR 230 Cb -0.17 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.82 2jks s THR 230 CO 0.11 0.20 0.18 -0.89 -0.54 0.00 0.00 174.62 173.68 2jks s THR 231 N -1.42 0.06 0.18 3.99 2.01 -0.17 -4.87 115.64 115.42 2jks s THR 231 Ca 0.51 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 2jks s THR 231 Cb -0.26 -0.44 -0.08 0.00 0.01 0.00 0.00 72.50 71.73 2jks s THR 231 CO 0.33 -0.29 1.17 -0.13 -0.69 0.00 0.00 174.62 175.01 2jks s ARG 232 N -1.10 4.52 0.33 4.92 0.52 -1.26 -0.55 118.95 126.33 2jks s ARG 232 Ca -0.12 1.82 0.05 0.00 -0.52 0.00 0.00 55.73 56.96 2jks s ARG 232 Cb -0.06 -3.26 0.68 0.00 0.52 0.00 0.00 34.95 32.83 2jks s ARG 232 CO 0.02 -0.05 1.89 0.74 0.02 0.00 0.00 175.30 177.91 2jks h PHE 233 N 5.28 0.94 -0.47 -0.53 0.04 -1.57 -2.24 116.94 118.39 2jks h PHE 233 Ca -0.44 0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.49 2jks h PHE 233 Cb 1.21 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 2jks h PHE 233 CO 0.63 0.41 0.47 -0.39 -0.60 0.00 0.00 178.31 178.83 2jks h VAL 234 N 0.85 0.41 0.00 -0.55 -1.51 -1.81 -0.60 116.25 113.04 2jks h VAL 234 Ca 0.42 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.88 2jks h VAL 234 Cb 0.47 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 30.26 2jks h VAL 234 CO -0.19 0.00 -0.07 -0.33 -1.23 0.00 0.00 177.57 175.75 2jks h GLU 235 N 0.00 0.00 0.00 5.19 4.39 -1.79 -3.10 114.58 119.27 2jks h GLU 235 Ca 0.23 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 2jks h GLU 235 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2jks h GLU 235 CO -0.00 0.07 -1.36 0.44 -1.16 0.00 0.00 179.01 177.00 2jks n ILE 236 N -3.27 0.27 -3.91 3.13 -5.35 -0.65 -4.83 119.36 104.74 2jks n ILE 236 Ca -0.01 -0.21 -0.29 0.00 -0.27 0.00 0.00 62.75 61.97 2jks n ILE 236 Cb 0.28 -0.44 -0.13 0.00 -1.74 0.00 0.00 39.64 37.60 2jks n ILE 236 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2jks s PHE 237 N -2.24 3.16 0.47 4.28 0.08 -0.33 -4.72 117.98 118.68 2jks s PHE 237 Ca -0.03 -3.15 0.26 0.00 0.12 0.00 0.00 56.93 54.13 2jks s PHE 237 Cb 0.02 -2.68 1.30 0.00 -0.57 0.00 0.00 43.02 41.10 2jks s PHE 237 CO 0.25 -0.69 1.83 -1.35 -0.10 0.00 0.00 175.22 175.15 2jks h PRO 238 N 6.19 0.20 -0.06 0.24 0.11 -1.81 0.11 132.00 136.98 2jks h PRO 238 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2jks h PRO 238 Cb 0.86 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2jks h PRO 238 CO 0.68 0.13 0.00 1.63 -0.21 0.00 0.00 178.00 180.23 2jks n LYS 239 N -4.41 1.41 -1.58 1.05 5.02 -1.26 -4.95 118.16 113.43 2jks n LYS 239 Ca 0.22 -0.60 -0.46 0.00 -2.02 0.00 0.00 58.31 55.45 2jks n LYS 239 Cb 0.95 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.53 2jks n LYS 239 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jks n PHE 240 N -0.21 1.21 -4.16 2.13 7.35 0.39 -5.02 117.46 119.15 2jks n PHE 240 Ca 0.18 0.70 -0.17 0.00 -0.76 0.00 0.00 57.45 57.40 2jks n PHE 240 Cb 0.23 -2.25 -0.12 0.00 0.35 0.00 0.00 39.48 37.70 2jks n PHE 240 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2jks s LEU 241 N 0.61 2.29 0.51 -2.13 1.43 -1.26 -4.91 118.68 115.21 2jks s LEU 241 Ca 0.62 -0.62 0.26 0.00 -1.03 0.00 0.00 54.13 53.35 2jks s LEU 241 Cb -0.74 -0.45 1.36 0.00 0.03 0.00 0.00 46.19 46.39 2jks s LEU 241 CO 0.58 -0.11 1.94 0.11 0.23 0.00 0.00 176.35 179.10 2jks h LYS 242 N 4.26 0.08 0.00 1.70 1.57 -1.96 -1.00 116.57 121.22 2jks h LYS 242 Ca -0.40 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2jks h LYS 242 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2jks h LYS 242 CO 0.41 0.05 0.00 -1.13 -0.57 0.00 0.00 179.45 178.22 2jks n SER 243 N -4.36 0.49 0.28 0.86 3.41 -1.26 -1.88 113.62 111.15 2jks n SER 243 Ca 0.14 0.64 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 2jks n SER 243 Cb 0.72 -0.74 0.83 0.00 -0.26 0.00 0.00 64.21 64.77 2jks n SER 243 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2jks h TRP 244 N 0.00 0.00 -3.19 7.33 4.06 -1.45 -3.40 115.95 119.31 2jks h TRP 244 Ca 0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 2jks h TRP 244 Cb 0.25 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.30 2jks h TRP 244 CO 0.00 0.06 -0.46 -1.58 -3.56 0.00 0.00 178.44 172.91 2jks s TRP 245 N -4.37 3.45 -0.12 0.49 0.52 -0.79 -1.08 118.94 117.04 2jks s TRP 245 Ca -0.04 0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.51 2jks s TRP 245 Cb 0.14 -2.16 0.01 0.00 -1.15 0.00 0.00 33.47 30.31 2jks s TRP 245 CO 0.56 0.35 -0.18 0.14 0.02 0.00 0.00 176.95 177.83 2jks s VAL 246 N 0.18 1.74 -0.16 4.03 -7.23 -0.61 -4.99 120.40 113.36 2jks s VAL 246 Ca 0.11 -0.79 -0.08 0.00 -1.81 0.00 0.00 61.98 59.41 2jks s VAL 246 Cb -0.12 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 2jks s VAL 246 CO 0.00 0.49 0.11 -0.89 -0.31 0.00 0.00 175.10 174.50 2jks s THR 247 N 0.88 5.23 -0.07 5.32 2.01 -1.26 -1.26 115.64 126.49 2jks s THR 247 Ca -0.08 0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 2jks s THR 247 Cb -0.15 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 2jks s THR 247 CO -0.01 0.52 2.01 1.21 -0.69 0.00 0.00 174.62 177.66 2jks n GLU 248 N 2.88 2.40 0.02 4.92 4.07 -0.84 -4.90 120.64 129.19 2jks n GLU 248 Ca -0.18 0.84 -0.18 0.00 -0.06 0.00 0.00 57.16 57.58 2jks n GLU 248 Cb 0.53 -2.91 -0.13 0.00 -0.06 0.00 0.00 31.44 28.87 2jks n GLU 248 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jks h THR 249 N 5.95 1.51 0.00 6.31 1.03 -1.96 -2.38 112.91 123.37 2jks h THR 249 Ca -0.47 -2.31 -0.08 0.00 -0.01 0.00 0.00 66.41 63.55 2jks h THR 249 Cb 1.25 2.97 -0.01 0.00 -1.07 0.00 0.00 68.15 71.30 2jks h THR 249 CO 0.95 0.65 -0.36 0.06 -0.01 0.00 0.00 175.52 176.81 2jks h GLN 250 N -0.34 0.00 -3.65 0.00 3.07 -2.01 -3.39 115.11 108.78 2jks h GLN 250 Ca -0.10 0.00 -0.70 0.00 0.09 0.00 0.00 58.65 57.94 2jks h GLN 250 Cb 1.42 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 28.63 2jks h GLN 250 CO 0.12 0.36 -0.36 -1.59 0.09 0.00 0.00 178.83 177.46 2jks s LYS 251 N -3.88 2.58 -0.03 0.06 -2.85 -0.99 -4.93 119.74 109.70 2jks s LYS 251 Ca -0.01 -2.49 0.03 0.00 -1.00 0.00 0.00 55.97 52.49 2jks s LYS 251 Cb 0.13 -3.75 0.13 0.00 -2.06 0.00 0.00 37.83 32.27 2jks s LYS 251 CO 0.69 -1.17 0.80 0.54 0.10 0.00 0.00 175.35 176.31 2jks n ARG 252 N 3.57 1.56 0.00 1.78 1.74 -0.93 -3.17 116.66 121.22 2jks n ARG 252 Ca 0.07 -0.51 0.11 0.00 -0.77 0.00 0.00 57.85 56.75 2jks n ARG 252 Cb 0.38 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.37 2jks n ARG 252 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2jks n THR 253 N 0.05 0.00 -4.97 0.55 -2.24 -1.26 -4.75 114.28 101.65 2jks n THR 253 Ca 0.05 -0.39 -0.27 0.00 -2.27 0.00 0.00 64.05 61.16 2jks n THR 253 Cb 0.34 1.35 -0.15 0.00 -2.10 0.00 0.00 70.33 69.76 2jks n THR 253 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jks s SER 254 N -2.08 2.44 0.02 3.42 0.01 -1.19 -0.21 113.70 116.12 2jks s SER 254 Ca 0.21 -0.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.99 2jks s SER 254 Cb 0.18 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2jks s SER 254 CO 0.40 0.24 0.18 0.00 0.41 0.00 0.00 173.24 174.48 2jks s ALA 255 N -0.53 -0.38 -0.11 1.44 0.00 -0.80 -1.98 121.76 119.41 2jks s ALA 255 Ca 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2jks s ALA 255 Cb -0.08 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.27 2jks s ALA 255 CO -0.00 -0.31 -0.13 0.99 0.00 0.00 0.00 175.76 176.31 2jks s THR 256 N -2.12 1.37 -0.13 0.00 2.01 -0.39 -1.13 115.64 115.25 2jks s THR 256 Ca -0.09 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 2jks s THR 256 Cb -0.03 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2jks s THR 256 CO -0.02 0.42 0.36 -0.22 -0.69 0.00 0.00 174.62 174.48 2jks s LEU 257 N 1.20 4.28 -0.22 4.42 2.96 0.10 -1.57 118.68 129.85 2jks s LEU 257 Ca -0.03 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 2jks s LEU 257 Cb -0.14 -2.50 0.05 0.00 0.50 0.00 0.00 46.19 44.10 2jks s LEU 257 CO -0.04 0.09 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.12 2jks s THR 258 N 0.34 1.60 -0.34 3.68 2.01 -0.24 -0.54 115.64 122.15 2jks s THR 258 Ca 0.20 -1.16 -0.22 0.00 0.31 0.00 0.00 61.69 60.82 2jks s THR 258 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.58 2jks s THR 258 CO 0.07 0.00 0.72 -0.63 -0.69 0.00 0.00 174.62 174.09 2jks s ILE 259 N 1.38 4.82 0.27 1.82 1.01 -0.21 -4.68 121.20 125.62 2jks s ILE 259 Ca -0.04 0.88 -0.29 0.00 0.00 0.00 0.00 60.65 61.19 2jks s ILE 259 Cb -0.18 -4.12 -0.14 0.00 0.01 0.00 0.00 42.46 38.03 2jks s ILE 259 CO -0.07 -0.31 1.17 -2.65 0.00 0.00 0.00 174.94 173.09 2jks n PRO 260 N 6.18 1.63 0.27 2.79 -0.02 -1.26 -4.82 135.00 139.77 2jks n PRO 260 Ca 0.01 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 2jks n PRO 260 Cb 0.48 -2.06 0.78 0.00 -0.02 0.00 0.00 33.50 32.68 2jks n PRO 260 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2jks h GLN 261 N 2.74 0.00 -0.03 -0.52 4.20 -1.95 0.16 115.11 119.71 2jks h GLN 261 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 2jks h GLN 261 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2jks h GLN 261 CO 0.65 0.06 0.00 0.25 -0.67 0.00 0.00 178.83 179.12 2jks n THR 262 N -3.91 0.03 -0.16 -0.54 -2.24 -1.26 -4.16 114.28 102.04 2jks n THR 262 Ca -0.03 -0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.65 2jks n THR 262 Cb 0.15 0.07 0.14 0.00 -2.10 0.00 0.00 70.33 68.59 2jks n THR 262 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jks n ASP 263 N -0.29 2.86 -4.76 3.42 8.00 0.55 -5.00 116.55 121.32 2jks n ASP 263 Ca 0.20 -2.00 -0.38 0.00 0.71 0.00 0.00 54.79 53.32 2jks n ASP 263 Cb 0.24 -0.21 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 2jks n ASP 263 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jks s LEU 264 N -1.00 3.97 0.84 0.64 1.43 -1.24 -4.80 118.68 118.51 2jks s LEU 264 Ca 0.22 2.59 -0.10 0.00 -1.03 0.00 0.00 54.13 55.80 2jks s LEU 264 Cb 0.11 -4.20 0.10 0.00 0.03 0.00 0.00 46.19 42.23 2jks s LEU 264 CO 0.15 -1.22 1.11 -2.16 0.23 0.00 0.00 176.35 174.46 2jks s PRO 265 N -2.72 1.70 0.00 1.29 0.04 -1.26 -4.94 135.00 129.11 2jks s PRO 265 Ca 0.66 1.30 0.28 0.00 0.04 0.00 0.00 61.00 63.29 2jks s PRO 265 Cb -0.36 -1.82 1.07 0.00 0.04 0.00 0.00 34.50 33.43 2jks s PRO 265 CO 0.43 -2.08 1.79 0.39 0.04 0.00 0.00 177.00 177.58 2jks n GLU 266 N -3.83 0.22 -4.10 4.56 -0.58 -1.26 -4.55 120.64 111.09 2jks n GLU 266 Ca 0.10 -0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.67 2jks n GLU 266 Cb 0.53 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.79 2jks n GLU 266 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jks s ALA 267 N -2.83 0.68 0.34 0.62 0.00 -1.26 -4.89 121.76 114.43 2jks s ALA 267 Ca 0.18 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 2jks s ALA 267 Cb 0.19 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.35 2jks s ALA 267 CO 0.55 -0.20 1.47 -0.51 0.00 0.00 0.00 175.76 177.08 2jks s ASP 268 N -2.46 6.45 0.21 0.00 1.11 -1.26 -4.53 116.67 116.19 2jks s ASP 268 Ca 0.02 2.93 0.04 0.00 0.18 0.00 0.00 52.55 55.72 2jks s ASP 268 Cb 0.00 -2.65 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 2jks s ASP 268 CO -0.04 -0.81 -0.04 -1.10 1.18 0.00 0.00 175.17 174.36 2jks s GLN 269 N -1.54 1.27 0.01 8.23 -1.52 -0.62 -4.97 119.66 120.53 2jks s GLN 269 Ca 0.55 -1.62 0.01 0.00 -1.95 0.00 0.00 55.36 52.35 2jks s GLN 269 Cb -0.45 -0.68 -0.01 0.00 -0.22 0.00 0.00 33.01 31.65 2jks s GLN 269 CO 0.56 -0.03 -0.03 -0.65 -0.25 0.00 0.00 175.29 174.90 2jks s GLN 270 N -3.81 0.25 0.10 2.91 -0.21 -1.26 -0.10 119.66 117.54 2jks s GLN 270 Ca 0.25 -0.30 -0.06 0.00 0.02 0.00 0.00 55.36 55.27 2jks s GLN 270 Cb 0.04 -0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.92 2jks s GLN 270 CO 0.06 0.02 0.14 -0.59 -2.12 0.00 0.00 175.29 172.81 2jks s PHE 271 N -0.57 0.37 -0.05 0.91 -0.12 -0.31 -4.63 117.98 113.58 2jks s PHE 271 Ca -0.05 -0.81 0.03 0.00 -0.05 0.00 0.00 56.93 56.06 2jks s PHE 271 Cb -0.04 -0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 2jks s PHE 271 CO -0.00 -0.54 -0.15 -1.17 -0.05 0.00 0.00 175.22 173.31 2jks s LEU 272 N -2.92 1.83 0.00 -1.99 0.20 -0.91 -0.75 118.68 114.15 2jks s LEU 272 Ca 0.10 -0.33 0.05 0.00 0.69 0.00 0.00 54.13 54.64 2jks s LEU 272 Cb 0.06 -0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 44.89 2jks s LEU 272 CO -0.07 0.11 0.17 1.33 -0.29 0.00 0.00 176.35 177.59 2jks n VAL 273 N 3.38 0.00 -1.07 1.68 0.24 -0.90 -1.15 118.33 120.51 2jks n VAL 273 Ca -0.20 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.49 2jks n VAL 273 Cb 0.53 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2jks n VAL 273 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jks n GLY 274 N -0.27 -0.61 2.88 7.63 0.00 -0.34 0.05 105.19 114.53 2jks n GLY 274 Ca 0.03 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 2jks n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jks s VAL 276 N 0.87 3.67 0.30 0.00 -7.23 -0.22 -0.92 120.40 116.87 2jks s VAL 276 Ca -0.11 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 2jks s VAL 276 Cb -0.14 -2.74 -0.12 0.00 0.56 0.00 0.00 36.38 33.94 2jks s VAL 276 CO -0.00 0.11 1.46 -2.65 -0.31 0.00 0.00 175.10 173.71 2jks n PRO 277 N 0.62 2.38 -2.02 4.82 -0.02 -1.26 -0.27 135.00 139.24 2jks n PRO 277 Ca -0.12 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 2jks n PRO 277 Cb 0.52 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 2jks n PRO 277 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2jks s LYS 278 N -0.94 4.28 -0.05 -0.52 -2.85 -0.37 -4.75 119.74 114.55 2jks s LYS 278 Ca 0.62 2.32 -0.29 0.00 -1.00 0.00 0.00 55.97 57.62 2jks s LYS 278 Cb -0.56 -3.04 -0.07 0.00 -2.06 0.00 0.00 37.83 32.10 2jks s LYS 278 CO 0.53 -0.29 1.93 -1.59 0.10 0.00 0.00 175.35 176.03 2jks s LYS 279 N -1.85 3.92 0.00 1.78 0.00 -1.26 -5.01 119.74 117.32 2jks s LYS 279 Ca 0.50 2.35 0.00 0.00 0.00 0.00 0.00 55.97 58.82 2jks s LYS 279 Cb -0.42 -4.16 0.00 0.00 0.00 0.00 0.00 37.83 33.25 2jks s LYS 279 CO 0.56 -1.19 0.00 -2.37 0.00 0.00 0.00 175.35 172.35 2jks n THR 280 N 6.04 0.00 0.00 3.79 5.66 -1.26 -5.17 114.28 123.34 2jks n THR 280 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 2jks n THR 280 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 2jks n THR 280 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jks n ALA 296 N -3.00 0.00 -2.78 1.79 0.00 -1.26 -5.33 120.51 109.93 2jks n ALA 296 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2jks n ALA 296 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2jks n ALA 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jks n ALA 297 N 0.00 4.81 0.16 0.00 0.00 -1.26 -0.82 120.51 123.41 2jks n ALA 297 Ca 0.00 -4.57 0.05 0.00 0.00 0.00 0.00 53.44 48.92 2jks n ALA 297 Cb 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 19.45 18.86 2jks n ALA 297 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jks h PRO 298 N 2.84 0.00 -6.19 0.00 0.13 -1.66 -3.46 132.00 123.65 2jks h PRO 298 Ca 0.19 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.81 2jks h PRO 298 Cb 0.65 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 2jks h PRO 298 CO 0.83 0.37 -0.51 0.95 -0.23 0.00 0.00 178.00 179.41 2jks s THR 299 N -3.04 4.08 0.23 1.56 -4.23 -0.56 -5.02 115.64 108.66 2jks s THR 299 Ca 0.05 -1.43 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 2jks s THR 299 Cb 0.07 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 2jks s THR 299 CO 0.72 -0.29 0.10 -0.44 -0.54 0.00 0.00 174.62 174.17 2jks s SER 300 N -3.88 5.13 -0.34 3.99 0.01 -1.26 -4.43 113.70 112.93 2jks s SER 300 Ca 0.35 -0.37 -0.11 0.00 1.31 0.00 0.00 55.95 57.14 2jks s SER 300 Cb -0.07 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 64.97 2jks s SER 300 CO 0.25 0.01 0.19 0.00 0.41 0.00 0.00 173.24 174.10 2jks s THR 302 N 1.62 4.48 -0.29 0.00 2.01 -1.26 -1.37 115.64 120.83 2jks s THR 302 Ca 0.04 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2jks s THR 302 Cb -0.18 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.37 2jks s THR 302 CO 0.07 0.47 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.77 2jks s VAL 303 N 0.40 3.01 -0.43 3.82 1.01 0.11 -0.23 120.40 128.09 2jks s VAL 303 Ca 0.01 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 2jks s VAL 303 Cb -0.13 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2jks s VAL 303 CO 0.01 -0.04 0.49 -0.22 0.00 0.00 0.00 175.10 175.34 2jks s LEU 304 N 1.28 4.83 -0.21 3.92 2.96 -0.14 -2.12 118.68 129.21 2jks s LEU 304 Ca -0.04 -0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 53.13 2jks s LEU 304 Cb -0.19 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 2jks s LEU 304 CO -0.02 -0.64 0.11 -0.69 -1.32 0.00 0.00 176.35 173.80 2jks s VAL 305 N 2.29 5.17 -0.28 1.68 1.01 0.08 -1.71 120.40 128.64 2jks s VAL 305 Ca 0.14 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2jks s VAL 305 Cb -0.17 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2jks s VAL 305 CO 0.14 0.42 0.06 -0.89 0.00 0.00 0.00 175.10 174.83 2jks s THR 306 N 0.56 3.91 -0.41 3.92 2.01 -0.20 -1.16 115.64 124.28 2jks s THR 306 Ca 0.06 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.27 2jks s THR 306 Cb -0.12 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2jks s THR 306 CO 0.00 0.17 0.63 -0.69 -0.69 0.00 0.00 174.62 174.04 2jks s VAL 307 N 1.51 4.86 -0.33 3.82 1.01 0.86 -1.29 120.40 130.84 2jks s VAL 307 Ca 0.03 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2jks s VAL 307 Cb -0.16 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2jks s VAL 307 CO 0.02 -0.49 0.50 -0.54 0.00 0.00 0.00 175.10 174.59 2jks s LYS 308 N 2.75 3.70 0.33 2.72 1.02 0.93 -1.59 119.74 129.60 2jks s LYS 308 Ca 0.23 -0.10 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 2jks s LYS 308 Cb -0.14 -3.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.30 2jks s LYS 308 CO 0.17 -0.58 1.09 0.00 -0.92 0.00 0.00 175.35 175.11 2jks s ALA 309 N 2.35 3.28 -1.27 5.17 0.00 -1.26 -4.27 121.76 125.76 2jks s ALA 309 Ca 0.18 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2jks s ALA 309 Cb -0.16 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 2jks s ALA 309 CO 0.12 -0.21 0.76 0.72 0.00 0.00 0.00 175.76 177.15 2jks n HIS 310 N 0.70 -1.98 -4.65 0.00 8.25 -1.26 -4.86 115.22 111.42 2jks n HIS 310 Ca 0.01 0.84 -0.24 0.00 -0.26 0.00 0.00 57.72 58.06 2jks n HIS 310 Cb 0.46 -4.43 -0.16 0.00 1.12 0.00 0.00 29.99 26.98 2jks n HIS 310 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jks s HIS 311 N -3.60 1.46 -0.33 4.41 5.04 -1.26 -5.08 115.29 115.92 2jks s HIS 311 Ca 0.05 -0.46 0.03 0.00 -1.54 0.00 0.00 55.06 53.14 2jks s HIS 311 Cb -0.01 -1.02 0.09 0.00 0.04 0.00 0.00 32.58 31.68 2jks s HIS 311 CO 0.80 -0.19 0.04 -1.01 -2.34 0.00 0.00 174.74 172.04 2jks s HIS 312 N 0.29 3.63 0.06 3.88 3.76 -1.26 -4.13 115.29 121.53 2jks s HIS 312 Ca -0.08 -2.75 -0.20 0.00 -0.15 0.00 0.00 55.06 51.88 2jks s HIS 312 Cb -0.12 -2.76 -0.12 0.00 1.11 0.00 0.00 32.58 30.69 2jks s HIS 312 CO 0.02 -0.93 1.46 1.25 -0.85 0.00 0.00 174.74 175.69 2jks h HIS 313 N 7.72 0.38 -0.00 1.40 2.76 -1.98 -2.99 115.15 122.44 2jks h HIS 313 Ca -0.09 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 2jks h HIS 313 Cb 1.03 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2jks h HIS 313 CO 0.51 0.59 -0.17 0.72 -1.30 0.00 0.00 177.93 178.29 2jks n HIS 314 N -4.67 0.00 -0.75 5.26 8.25 -1.26 -5.19 115.22 116.86 2jks n HIS 314 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2jks n HIS 314 Cb 0.26 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2jks n HIS 314 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70