#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj2 s PRO 2 N 0.00 1.92 0.25 1.61 0.04 -1.26 -3.88 135.00 133.67 1kj2 s PRO 2 Ca 0.00 -0.27 -0.09 0.00 0.04 0.00 0.00 61.00 60.68 1kj2 s PRO 2 Cb 0.00 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1kj2 s PRO 2 CO 0.00 -1.47 0.41 -1.01 0.04 0.00 0.00 177.00 174.97 1kj2 s HIS 3 N -3.38 0.60 0.20 0.56 3.76 -1.07 -4.99 115.29 110.97 1kj2 s HIS 3 Ca 0.63 -0.93 -0.17 0.00 -0.15 0.00 0.00 55.06 54.44 1kj2 s HIS 3 Cb -0.09 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.64 1kj2 s HIS 3 CO 0.46 -0.95 0.52 -1.54 -0.85 0.00 0.00 174.74 172.38 1kj2 s SER 4 N -3.07 -0.24 -0.14 1.40 1.04 -1.26 -2.12 113.70 109.30 1kj2 s SER 4 Ca 0.27 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 56.16 1kj2 s SER 4 Cb 0.01 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1kj2 s SER 4 CO 0.11 -1.07 -0.07 -0.22 0.98 0.00 0.00 173.24 172.97 1kj2 s LEU 5 N -2.89 1.44 -0.00 2.42 2.96 -0.82 -1.73 118.68 120.06 1kj2 s LEU 5 Ca 0.10 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1kj2 s LEU 5 Cb -0.01 -0.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.76 1kj2 s LEU 5 CO -0.02 -0.14 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.70 1kj2 s ARG 6 N 1.65 0.41 -0.19 1.98 0.52 -0.68 -0.58 118.95 122.06 1kj2 s ARG 6 Ca 0.03 -0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1kj2 s ARG 6 Cb -0.14 -0.40 -0.00 0.00 0.52 0.00 0.00 34.95 34.93 1kj2 s ARG 6 CO -0.08 0.11 -0.10 0.71 0.02 0.00 0.00 175.30 175.95 1kj2 s TYR 7 N -0.11 2.88 -0.53 -0.53 1.51 0.50 -0.98 117.35 120.10 1kj2 s TYR 7 Ca 0.02 -1.07 -0.17 0.00 -1.01 0.00 0.00 57.07 54.84 1kj2 s TYR 7 Cb -0.02 -2.00 0.10 0.00 -0.11 0.00 0.00 41.96 39.93 1kj2 s TYR 7 CO -0.00 -0.55 0.52 -0.06 -1.11 0.00 0.00 175.55 174.35 1kj2 s PHE 8 N 1.20 3.18 0.01 2.71 0.40 0.10 -1.51 117.98 124.08 1kj2 s PHE 8 Ca 0.02 -1.05 -0.01 0.00 -0.60 0.00 0.00 56.93 55.29 1kj2 s PHE 8 Cb -0.14 -3.63 -0.04 0.00 0.51 0.00 0.00 43.02 39.72 1kj2 s PHE 8 CO -0.04 -1.01 0.13 0.08 0.70 0.00 0.00 175.22 175.08 1kj2 s VAL 9 N 1.92 5.01 -0.16 -0.44 1.01 0.07 -1.77 120.40 126.04 1kj2 s VAL 9 Ca 0.06 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1kj2 s VAL 9 Cb -0.26 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 32.85 1kj2 s VAL 9 CO 0.06 0.31 0.37 -0.89 0.00 0.00 0.00 175.10 174.95 1kj2 s THR 10 N -1.28 -0.12 -0.10 3.92 2.01 0.28 -1.35 115.64 119.00 1kj2 s THR 10 Ca 0.26 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.42 1kj2 s THR 10 Cb -0.12 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 1kj2 s THR 10 CO 0.17 0.05 -0.24 0.00 -0.69 0.00 0.00 174.62 173.91 1kj2 s ALA 11 N 1.57 2.18 -0.09 7.40 0.00 0.19 -0.74 121.76 132.28 1kj2 s ALA 11 Ca -0.08 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1kj2 s ALA 11 Cb -0.09 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.27 1kj2 s ALA 11 CO -0.12 0.30 0.13 0.54 0.00 0.00 0.00 175.76 176.61 1kj2 s VAL 12 N 0.31 -0.20 0.46 0.00 0.11 -0.76 -0.08 120.40 120.24 1kj2 s VAL 12 Ca -0.18 0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 1kj2 s VAL 12 Cb -0.18 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1kj2 s VAL 12 CO 0.09 0.10 0.86 -0.94 -3.33 0.00 0.00 175.10 171.87 1kj2 s SER 13 N 2.24 6.50 0.00 3.54 1.04 -0.16 -1.08 113.70 125.79 1kj2 s SER 13 Ca 0.04 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.73 1kj2 s SER 13 Cb -0.13 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1kj2 s SER 13 CO -0.06 -0.51 0.00 0.54 0.98 0.00 0.00 173.24 174.19 1kj2 n ARG 14 N -1.58 1.52 -1.50 4.02 1.74 -1.26 -3.34 116.66 116.26 1kj2 n ARG 14 Ca 0.04 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.74 1kj2 n ARG 14 Cb 0.54 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.04 1kj2 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1kj2 n PRO 15 N 0.00 0.64 -0.98 5.56 -0.04 -1.26 -4.56 135.00 134.36 1kj2 n PRO 15 Ca 0.00 0.26 -0.36 0.00 -0.04 0.00 0.00 63.50 63.35 1kj2 n PRO 15 Cb 0.00 -1.99 0.04 0.00 -0.04 0.00 0.00 33.50 31.50 1kj2 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kj2 n GLY 16 N 1.47 -3.94 4.83 0.55 0.00 -1.24 -2.84 105.19 104.03 1kj2 n GLY 16 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1kj2 n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kj2 n LEU 17 N 3.42 0.00 -4.90 0.99 7.94 -1.26 -4.92 117.00 118.27 1kj2 n LEU 17 Ca -0.02 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.60 1kj2 n LEU 17 Cb 0.62 -0.05 0.03 0.00 0.53 0.00 0.00 43.42 44.55 1kj2 n LEU 17 CO 0.48 0.00 0.61 -0.83 -1.11 0.00 0.00 177.39 176.54 1kj2 s GLY 18 N -1.11 1.60 0.03 -3.96 0.00 -1.13 -5.07 107.32 97.68 1kj2 s GLY 18 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 1kj2 s GLY 18 CO 0.00 -0.19 0.23 -0.54 0.00 0.00 0.00 173.10 172.61 1kj2 s GLU 19 N -5.09 3.49 0.90 2.90 0.41 -1.26 -4.83 118.70 115.23 1kj2 s GLU 19 Ca 0.54 -0.27 -0.10 0.00 -0.41 0.00 0.00 54.97 54.73 1kj2 s GLU 19 Cb -0.11 -3.05 0.14 0.00 -1.78 0.00 0.00 34.13 29.33 1kj2 s GLU 19 CO 0.48 0.63 1.13 -2.14 -0.49 0.00 0.00 175.26 174.87 1kj2 s PRO 20 N -2.13 1.14 -0.19 0.39 0.02 -1.26 -4.75 135.00 128.22 1kj2 s PRO 20 Ca 0.31 1.40 -0.11 0.00 0.02 0.00 0.00 61.00 62.62 1kj2 s PRO 20 Cb -0.13 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 1kj2 s PRO 20 CO 0.21 -2.50 0.19 0.50 -0.33 0.00 0.00 177.00 175.07 1kj2 s ARG 21 N -4.70 4.21 -0.11 5.54 3.52 -0.24 -4.91 118.95 122.26 1kj2 s ARG 21 Ca 0.66 -0.12 0.01 0.00 -0.13 0.00 0.00 55.73 56.15 1kj2 s ARG 21 Cb -0.22 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1kj2 s ARG 21 CO 0.58 0.27 -0.13 -0.47 -0.81 0.00 0.00 175.30 174.73 1kj2 s TYR 22 N 0.44 2.78 -0.04 5.12 5.04 -1.26 -1.82 117.35 127.61 1kj2 s TYR 22 Ca 0.11 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1kj2 s TYR 22 Cb -0.12 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.43 1kj2 s TYR 22 CO 0.00 -0.11 0.00 -1.64 -1.34 0.00 0.00 175.55 172.46 1kj2 s MET 23 N 0.07 0.36 -0.10 4.97 -1.94 0.08 -0.19 119.30 122.56 1kj2 s MET 23 Ca -0.05 0.08 0.03 0.00 -1.71 0.00 0.00 55.69 54.03 1kj2 s MET 23 Cb -0.15 -0.57 0.01 0.00 2.01 0.00 0.00 34.83 36.13 1kj2 s MET 23 CO 0.04 -0.16 -0.18 -1.21 -0.01 0.00 0.00 175.02 173.51 1kj2 s GLU 24 N 1.19 2.42 -0.05 2.03 2.02 -0.33 -0.56 118.70 125.42 1kj2 s GLU 24 Ca -0.07 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1kj2 s GLU 24 Cb -0.13 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.17 1kj2 s GLU 24 CO -0.02 0.03 -0.02 0.08 0.02 0.00 0.00 175.26 175.35 1kj2 s VAL 25 N 0.71 0.45 0.00 2.63 1.01 -0.73 -0.44 120.40 124.04 1kj2 s VAL 25 Ca -0.12 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1kj2 s VAL 25 Cb -0.16 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1kj2 s VAL 25 CO 0.03 0.23 0.01 -0.83 0.00 0.00 0.00 175.10 174.54 1kj2 s GLY 26 N 1.32 1.90 0.01 4.51 0.00 -0.54 0.03 107.32 114.54 1kj2 s GLY 26 Ca -0.05 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1kj2 s GLY 26 CO -0.02 -0.83 -0.11 -0.19 0.00 0.00 0.00 173.10 171.95 1kj2 s TYR 27 N -1.11 0.95 -0.26 1.90 1.51 -0.15 -1.06 117.35 119.13 1kj2 s TYR 27 Ca 0.20 -0.25 -0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1kj2 s TYR 27 Cb -0.12 -0.59 0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1kj2 s TYR 27 CO 0.11 -0.01 -0.07 0.08 -1.11 0.00 0.00 175.55 174.55 1kj2 s VAL 28 N -0.52 2.63 -1.31 0.71 1.01 -0.27 -1.69 120.40 120.96 1kj2 s VAL 28 Ca 0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 1kj2 s VAL 28 Cb -0.06 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1kj2 s VAL 28 CO 0.00 0.08 0.75 0.47 0.00 0.00 0.00 175.10 176.41 1kj2 n ASP 29 N 4.58 -1.48 0.00 3.32 8.00 -0.70 -1.83 116.55 128.44 1kj2 n ASP 29 Ca -0.15 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1kj2 n ASP 29 Cb 0.45 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1kj2 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1kj2 n ASP 30 N -3.05 0.00 -4.37 -2.24 10.43 -1.26 -5.00 116.55 111.06 1kj2 n ASP 30 Ca -0.28 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 56.74 1kj2 n ASP 30 Cb 0.67 -0.04 -0.14 0.00 1.84 0.00 0.00 41.12 43.45 1kj2 n ASP 30 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1kj2 s THR 31 N -3.13 3.45 0.37 -3.53 2.01 -0.76 -5.04 115.64 109.01 1kj2 s THR 31 Ca 0.00 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.23 1kj2 s THR 31 Cb 0.00 -2.54 -0.11 0.00 0.01 0.00 0.00 72.50 69.86 1kj2 s THR 31 CO 0.00 0.46 1.50 -0.70 -0.69 0.00 0.00 174.62 175.18 1kj2 s GLU 32 N 1.02 4.11 0.00 4.92 2.12 -1.26 -1.12 118.70 128.49 1kj2 s GLU 32 Ca 0.00 2.58 0.00 0.00 0.36 0.00 0.00 54.97 57.91 1kj2 s GLU 32 Cb -0.15 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.27 1kj2 s GLU 32 CO 0.00 -0.55 0.00 1.97 -0.54 0.00 0.00 175.26 176.15 1kj2 n PHE 33 N 0.61 0.00 -3.57 5.30 -1.74 -0.22 -4.49 117.46 113.34 1kj2 n PHE 33 Ca 0.02 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.74 1kj2 n PHE 33 Cb 0.39 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.33 1kj2 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1kj2 s VAL 34 N -0.01 0.00 0.03 1.97 -7.23 -1.25 -0.97 120.40 112.94 1kj2 s VAL 34 Ca 0.00 -0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 1kj2 s VAL 34 Cb 0.00 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.95 1kj2 s VAL 34 CO 0.00 -0.00 0.18 -0.60 -0.31 0.00 0.00 175.10 174.37 1kj2 s ARG 35 N -0.48 0.63 -0.05 4.82 3.52 -0.84 -1.47 118.95 125.08 1kj2 s ARG 35 Ca -0.06 -0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1kj2 s ARG 35 Cb -0.02 0.26 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 1kj2 s ARG 35 CO 0.06 -0.17 0.10 0.12 -0.81 0.00 0.00 175.30 174.59 1kj2 s PHE 36 N -2.19 -0.07 -0.08 5.12 5.36 0.41 -1.85 117.98 124.70 1kj2 s PHE 36 Ca -0.08 0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 56.23 1kj2 s PHE 36 Cb -0.03 -0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.45 1kj2 s PHE 36 CO -0.02 -0.16 -0.02 0.34 -1.46 0.00 0.00 175.22 173.90 1kj2 s ASP 37 N 1.46 1.61 0.63 6.13 -1.08 -1.26 -1.18 116.67 122.98 1kj2 s ASP 37 Ca -0.05 -0.14 0.41 0.00 -0.52 0.00 0.00 52.55 52.25 1kj2 s ASP 37 Cb -0.12 -0.53 2.11 0.00 -1.46 0.00 0.00 42.92 42.92 1kj2 s ASP 37 CO -0.04 -0.15 2.26 0.77 0.52 0.00 0.00 175.17 178.52 1kj2 h SER 38 N 8.10 0.00 0.72 -0.34 4.64 -0.95 -3.08 113.55 122.65 1kj2 h SER 38 Ca -0.25 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.82 1kj2 h SER 38 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1kj2 h SER 38 CO 0.33 0.00 -1.33 0.44 -0.87 0.00 0.00 176.83 175.40 1kj2 h ASP 39 N 0.00 0.10 -3.65 4.97 3.32 -1.94 -3.46 116.42 115.76 1kj2 h ASP 39 Ca -0.00 -0.13 -0.52 0.00 0.02 0.00 0.00 57.03 56.40 1kj2 h ASP 39 Cb 0.15 -0.03 0.05 0.00 0.22 0.00 0.00 39.33 39.72 1kj2 h ASP 39 CO 0.00 1.11 0.63 0.00 -1.72 0.00 0.00 179.24 179.26 1kj2 s ALA 40 N -2.66 3.51 0.51 3.45 0.00 -1.16 -4.94 121.76 120.47 1kj2 s ALA 40 Ca -0.03 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 1kj2 s ALA 40 Cb 0.09 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1kj2 s ALA 40 CO 0.83 -0.55 1.14 -2.00 0.00 0.00 0.00 175.76 175.18 1kj2 s GLU 41 N -1.04 3.50 -0.79 0.00 2.56 -1.26 -3.27 118.70 118.40 1kj2 s GLU 41 Ca 0.52 1.66 -0.03 0.00 0.00 0.00 0.00 54.97 57.12 1kj2 s GLU 41 Cb -0.38 -2.14 -0.03 0.00 2.00 0.00 0.00 34.13 33.58 1kj2 s GLU 41 CO 0.45 -0.74 0.71 -1.71 -0.56 0.00 0.00 175.26 173.41 1kj2 n ASN 42 N -1.03 -6.56 -4.60 -1.70 5.15 -1.26 -4.83 115.26 100.43 1kj2 n ASN 42 Ca 0.10 -0.35 -0.43 0.00 -0.60 0.00 0.00 54.58 53.31 1kj2 n ASN 42 Cb 0.50 -4.70 -0.03 0.00 -0.53 0.00 0.00 39.78 35.02 1kj2 n ASN 42 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1kj2 s PRO 43 N -3.62 3.22 0.35 1.20 0.02 -1.20 -4.92 135.00 130.05 1kj2 s PRO 43 Ca 0.21 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.87 1kj2 s PRO 43 Cb -0.03 -4.27 -0.00 0.00 0.02 0.00 0.00 34.50 30.22 1kj2 s PRO 43 CO 0.65 -1.99 0.02 0.54 -0.33 0.00 0.00 177.00 175.89 1kj2 n ARG 44 N 8.57 1.04 -3.51 5.54 5.12 -1.26 -5.02 116.66 127.14 1kj2 n ARG 44 Ca 0.26 -2.62 -0.42 0.00 -1.93 0.00 0.00 57.85 53.14 1kj2 n ARG 44 Cb 0.46 0.83 -0.08 0.00 -1.16 0.00 0.00 32.46 32.51 1kj2 n ARG 44 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1kj2 s TYR 45 N -2.37 3.42 0.26 -1.55 5.04 -1.26 -4.49 117.35 116.39 1kj2 s TYR 45 Ca 0.03 -1.83 -0.14 0.00 -2.44 0.00 0.00 57.07 52.69 1kj2 s TYR 45 Cb 0.00 -3.55 -0.08 0.00 0.35 0.00 0.00 41.96 38.68 1kj2 s TYR 45 CO 0.02 -0.99 0.66 -1.21 -1.34 0.00 0.00 175.55 172.69 1kj2 s GLU 46 N 1.27 3.98 0.43 4.97 0.41 -0.77 -4.89 118.70 124.10 1kj2 s GLU 46 Ca 0.06 0.57 -0.22 0.00 -0.41 0.00 0.00 54.97 54.98 1kj2 s GLU 46 Cb -0.26 -2.62 -0.10 0.00 -1.78 0.00 0.00 34.13 29.38 1kj2 s GLU 46 CO -0.01 0.27 0.99 -1.25 -0.49 0.00 0.00 175.26 174.78 1kj2 s PRO 47 N -2.66 4.13 -0.05 0.39 0.04 -1.26 -1.98 135.00 133.59 1kj2 s PRO 47 Ca 0.49 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.86 1kj2 s PRO 47 Cb -0.12 -2.26 0.11 0.00 0.04 0.00 0.00 34.50 32.28 1kj2 s PRO 47 CO 0.19 -0.14 1.01 0.54 0.04 0.00 0.00 177.00 178.65 1kj2 n ARG 48 N -0.55 1.85 -3.70 4.56 5.12 -0.15 -4.85 116.66 118.94 1kj2 n ARG 48 Ca 0.07 -1.80 -0.11 0.00 -1.93 0.00 0.00 57.85 54.08 1kj2 n ARG 48 Cb 0.53 -1.11 -0.12 0.00 -1.16 0.00 0.00 32.46 30.60 1kj2 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kj2 s ALA 49 N -1.57 -0.82 0.38 7.54 0.00 -1.24 -4.56 121.76 121.49 1kj2 s ALA 49 Ca 0.12 1.26 0.20 0.00 0.00 0.00 0.00 51.96 53.54 1kj2 s ALA 49 Cb 0.11 -0.90 1.22 0.00 0.00 0.00 0.00 23.12 23.55 1kj2 s ALA 49 CO 0.01 -0.37 1.65 -0.09 0.00 0.00 0.00 175.76 176.97 1kj2 h ARG 50 N 7.48 0.22 0.00 0.00 9.65 -1.94 0.12 114.38 129.91 1kj2 h ARG 50 Ca -0.32 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1kj2 h ARG 50 Cb 1.15 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1kj2 h ARG 50 CO 0.27 0.14 0.00 -2.67 2.80 0.00 0.00 179.97 180.52 1kj2 n TRP 51 N -4.92 0.00 1.40 2.20 4.27 -1.26 -2.45 117.44 116.67 1kj2 n TRP 51 Ca 0.33 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 54.09 1kj2 n TRP 51 Cb 1.14 -0.40 0.66 0.00 -1.36 0.00 0.00 31.31 31.34 1kj2 n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1kj2 n MET 52 N -1.40 0.57 0.13 -2.67 2.81 0.42 -3.35 117.12 113.64 1kj2 n MET 52 Ca 0.07 -0.14 0.13 0.00 -1.81 0.00 0.00 57.70 55.95 1kj2 n MET 52 Cb 0.20 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 31.69 1kj2 n MET 52 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1kj2 h GLU 53 N 0.34 0.00 0.00 0.03 5.08 -1.62 -3.01 114.58 115.41 1kj2 h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kj2 h GLU 53 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1kj2 h GLU 53 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1kj2 n GLN 54 N -2.30 0.04 -3.03 2.33 6.02 -1.21 -4.69 117.38 114.53 1kj2 n GLN 54 Ca 0.03 0.29 -0.39 0.00 -0.01 0.00 0.00 57.00 56.92 1kj2 n GLN 54 Cb 0.30 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 1kj2 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1kj2 s GLU 55 N -2.86 4.49 1.13 -1.09 0.41 -1.14 -5.05 118.70 114.58 1kj2 s GLU 55 Ca 0.06 1.08 -0.14 0.00 -0.41 0.00 0.00 54.97 55.56 1kj2 s GLU 55 Cb 0.06 -3.22 0.26 0.00 -1.78 0.00 0.00 34.13 29.45 1kj2 s GLU 55 CO 0.16 0.56 1.05 0.20 -0.49 0.00 0.00 175.26 176.75 1kj2 s GLY 56 N -1.19 1.54 0.44 -1.39 0.00 -1.26 -4.89 107.32 100.57 1kj2 s GLY 56 Ca 0.36 -0.39 0.31 0.00 0.00 0.00 0.00 44.72 45.00 1kj2 s GLY 56 CO 0.25 0.34 1.92 -0.56 0.00 0.00 0.00 173.10 175.04 1kj2 h PRO 57 N -2.40 0.00 -0.09 2.90 0.13 -1.96 -2.82 132.00 127.75 1kj2 h PRO 57 Ca -0.57 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 1kj2 h PRO 57 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1kj2 h PRO 57 CO 0.51 0.00 -0.31 1.05 -0.23 0.00 0.00 178.00 179.02 1kj2 h GLU 58 N 0.00 0.36 -0.58 0.86 -0.00 -2.00 -2.75 114.58 110.48 1kj2 h GLU 58 Ca 0.00 -0.27 0.12 0.00 -0.00 0.00 0.00 59.36 59.21 1kj2 h GLU 58 Cb 0.28 0.05 -0.10 0.00 -0.00 0.00 0.00 28.75 28.98 1kj2 h GLU 58 CO 0.00 0.90 -0.07 -0.92 -0.00 0.00 0.00 179.01 178.92 1kj2 h TYR 59 N -0.10 -0.17 -0.19 2.06 3.20 -1.85 0.49 116.97 120.41 1kj2 h TYR 59 Ca -0.01 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1kj2 h TYR 59 Cb 0.94 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1kj2 h TYR 59 CO 0.12 -0.20 -0.23 -1.49 -1.64 0.00 0.00 178.16 174.72 1kj2 h TRP 60 N 0.05 0.38 0.63 -3.82 4.06 -1.63 -1.95 115.95 113.67 1kj2 h TRP 60 Ca 0.29 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 61.14 1kj2 h TRP 60 Cb 0.46 -0.10 0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1kj2 h TRP 60 CO -0.41 0.55 -0.30 0.93 -3.56 0.00 0.00 178.44 175.65 1kj2 h GLU 61 N 0.31 -0.81 -0.89 0.49 5.08 -0.67 -1.18 114.58 116.91 1kj2 h GLU 61 Ca 0.05 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1kj2 h GLU 61 Cb 0.58 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1kj2 h GLU 61 CO 0.04 -0.51 0.58 0.00 -1.00 0.00 0.00 179.01 178.12 1kj2 h ARG 62 N -0.92 1.02 0.00 2.33 3.08 -0.99 0.24 114.38 119.13 1kj2 h ARG 62 Ca -0.09 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.72 1kj2 h ARG 62 Cb 0.67 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1kj2 h ARG 62 CO 0.14 0.67 -0.89 0.93 -1.07 0.00 0.00 179.97 179.75 1kj2 h GLU 63 N 1.05 0.00 -0.46 0.04 4.39 -1.33 -1.88 114.58 116.38 1kj2 h GLU 63 Ca 0.37 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.97 1kj2 h GLU 63 Cb 0.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1kj2 h GLU 63 CO -0.13 0.89 -0.13 1.15 -1.16 0.00 0.00 179.01 179.63 1kj2 h THR 64 N 0.00 1.26 0.32 1.13 2.02 -0.42 -0.38 112.91 116.84 1kj2 h THR 64 Ca -0.01 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 1kj2 h THR 64 Cb 1.58 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1kj2 h THR 64 CO 0.12 0.42 -0.15 -0.61 0.37 0.00 0.00 175.52 175.67 1kj2 h GLN 65 N 0.77 -0.41 -0.76 6.66 4.15 -0.90 -1.89 115.11 122.73 1kj2 h GLN 65 Ca 0.12 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.72 1kj2 h GLN 65 Cb 0.64 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.33 1kj2 h GLN 65 CO 0.04 -0.15 0.30 -0.22 -1.93 0.00 0.00 178.83 176.87 1kj2 h LYS 66 N -0.63 0.42 -0.25 1.69 3.64 -1.19 -1.43 116.57 118.83 1kj2 h LYS 66 Ca -0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1kj2 h LYS 66 Cb 0.45 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1kj2 h LYS 66 CO 0.07 0.28 0.15 0.00 -2.27 0.00 0.00 179.45 177.68 1kj2 h ALA 67 N 1.55 0.31 -0.99 5.00 0.00 -0.97 0.52 119.26 124.69 1kj2 h ALA 67 Ca 0.42 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.51 1kj2 h ALA 67 Cb 0.64 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1kj2 h ALA 67 CO -0.41 -0.18 0.62 0.87 0.00 0.00 0.00 179.25 180.15 1kj2 h LYS 68 N 0.31 0.55 0.30 0.00 1.79 -0.44 0.13 116.57 119.21 1kj2 h LYS 68 Ca 0.09 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1kj2 h LYS 68 Cb 0.01 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1kj2 h LYS 68 CO -0.02 0.37 -0.14 0.78 -1.08 0.00 0.00 179.45 179.36 1kj2 h GLY 69 N 0.57 -0.42 -0.18 3.86 0.00 -0.64 -2.92 103.07 103.34 1kj2 h GLY 69 Ca 0.57 0.15 0.25 0.00 0.00 0.00 0.00 47.33 48.31 1kj2 h GLY 69 CO -0.32 -0.15 0.60 3.43 0.00 0.00 0.00 176.54 180.09 1kj2 h ASN 70 N -1.00 0.65 -0.13 0.19 2.35 -0.27 0.24 115.58 117.60 1kj2 h ASN 70 Ca -0.04 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1kj2 h ASN 70 Cb 0.47 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1kj2 h ASN 70 CO 0.07 0.08 -0.04 -0.08 -1.65 0.00 0.00 177.43 175.81 1kj2 h GLU 71 N 0.55 -0.01 -0.45 0.81 4.81 -0.78 -0.76 114.58 118.75 1kj2 h GLU 71 Ca 0.65 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.95 1kj2 h GLU 71 Cb 1.29 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 1kj2 h GLU 71 CO -0.48 -0.01 0.13 1.96 -0.73 0.00 0.00 179.01 179.89 1kj2 h GLN 72 N -0.01 0.28 -0.74 1.92 4.20 -0.37 -0.30 115.11 120.09 1kj2 h GLN 72 Ca 0.07 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.86 1kj2 h GLN 72 Cb 0.11 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.75 1kj2 h GLN 72 CO -0.14 0.18 0.36 1.03 -0.67 0.00 0.00 178.83 179.60 1kj2 h SER 73 N 0.29 0.46 1.16 1.46 0.87 -0.59 -2.23 113.55 114.97 1kj2 h SER 73 Ca 0.22 0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.70 1kj2 h SER 73 Cb 0.24 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1kj2 h SER 73 CO -0.24 0.25 -0.69 -0.26 -0.53 0.00 0.00 176.83 175.35 1kj2 h PHE 74 N 0.60 0.00 -0.12 2.24 0.04 -0.46 -2.30 116.94 116.95 1kj2 h PHE 74 Ca 0.37 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.17 1kj2 h PHE 74 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1kj2 h PHE 74 CO -0.11 0.69 0.08 0.00 -0.60 0.00 0.00 178.31 178.38 1kj2 h ARG 75 N 0.00 0.04 0.05 1.51 3.08 -0.48 0.45 114.38 119.02 1kj2 h ARG 75 Ca -0.01 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1kj2 h ARG 75 Cb 1.46 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.51 1kj2 h ARG 75 CO 0.09 0.02 -0.38 0.28 -1.07 0.00 0.00 179.97 178.91 1kj2 h VAL 76 N 0.04 1.60 -1.00 2.04 2.07 -1.29 -3.27 116.25 116.43 1kj2 h VAL 76 Ca 0.05 -2.27 0.10 0.00 0.82 0.00 0.00 66.70 65.41 1kj2 h VAL 76 Cb 0.17 3.09 -0.08 0.00 -1.52 0.00 0.00 31.29 32.95 1kj2 h VAL 76 CO -0.00 0.62 0.63 0.44 0.02 0.00 0.00 177.57 179.28 1kj2 h ASP 77 N -0.58 0.96 0.33 0.57 3.32 -0.72 -0.52 116.42 119.78 1kj2 h ASP 77 Ca -0.06 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1kj2 h ASP 77 Cb 1.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1kj2 h ASP 77 CO 0.07 0.54 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.69 1kj2 h LEU 78 N 1.05 -1.03 -0.88 1.55 3.38 -1.04 -2.00 115.31 116.34 1kj2 h LEU 78 Ca 0.48 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.72 1kj2 h LEU 78 Cb 0.39 0.35 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 1kj2 h LEU 78 CO -0.24 -0.48 0.43 0.03 0.09 0.00 0.00 178.44 178.27 1kj2 h ARG 79 N -0.71 0.50 0.19 1.13 3.08 -1.46 -2.08 114.38 115.02 1kj2 h ARG 79 Ca -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1kj2 h ARG 79 Cb 0.63 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1kj2 h ARG 79 CO -0.07 0.33 -0.36 1.15 -1.07 0.00 0.00 179.97 179.95 1kj2 h THR 80 N 0.51 0.25 -0.58 2.04 2.02 -0.69 -2.44 112.91 114.03 1kj2 h THR 80 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1kj2 h THR 80 Cb 0.89 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1kj2 h THR 80 CO -0.45 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 175.75 1kj2 h LEU 81 N -0.63 0.66 -1.97 2.58 3.38 -0.84 0.16 115.31 118.66 1kj2 h LEU 81 Ca 0.01 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.16 1kj2 h LEU 81 Cb 0.63 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1kj2 h LEU 81 CO -0.17 0.49 0.55 -0.07 0.09 0.00 0.00 178.44 179.32 1kj2 h LEU 82 N 0.78 0.00 0.06 1.67 3.38 -0.89 0.58 115.31 120.89 1kj2 h LEU 82 Ca 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.87 1kj2 h LEU 82 Cb -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1kj2 h LEU 82 CO -0.04 0.00 -1.74 1.23 0.09 0.00 0.00 178.44 177.97 1kj2 h GLY 83 N 0.00 0.15 1.94 0.83 0.00 -0.90 0.15 103.07 105.24 1kj2 h GLY 83 Ca 0.32 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1kj2 h GLY 83 CO -0.00 0.33 -0.10 -0.97 0.00 0.00 0.00 176.54 175.79 1kj2 h TYR 84 N 0.04 0.08 -0.07 5.60 -1.99 -0.32 -2.62 116.97 117.68 1kj2 h TYR 84 Ca -0.31 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1kj2 h TYR 84 Cb 2.01 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.72 1kj2 h TYR 84 CO 0.04 0.18 0.00 0.66 -0.00 0.00 0.00 178.16 179.04 1kj2 n TYR 85 N -4.37 0.09 -3.48 4.88 4.01 -0.37 -4.81 117.16 113.10 1kj2 n TYR 85 Ca -0.02 -0.11 -0.25 0.00 -0.16 0.00 0.00 57.90 57.36 1kj2 n TYR 85 Cb 0.20 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1kj2 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1kj2 n ASN 86 N 0.51 -4.60 -4.89 7.72 3.02 -0.69 -4.94 115.26 111.39 1kj2 n ASN 86 Ca 0.07 -0.50 -0.29 0.00 -0.03 0.00 0.00 54.58 53.82 1kj2 n ASN 86 Cb 0.28 -3.73 0.03 0.00 -0.61 0.00 0.00 39.78 35.75 1kj2 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1kj2 s GLN 87 N -6.16 3.12 0.79 3.52 -0.21 0.45 -4.99 119.66 116.18 1kj2 s GLN 87 Ca 0.47 0.43 -0.11 0.00 0.02 0.00 0.00 55.36 56.17 1kj2 s GLN 87 Cb -0.24 -2.11 0.08 0.00 1.00 0.00 0.00 33.01 31.74 1kj2 s GLN 87 CO 0.58 -0.78 1.14 -1.54 -2.12 0.00 0.00 175.29 172.57 1kj2 s SER 88 N -4.28 4.55 0.21 5.90 1.04 -1.26 -4.72 113.70 115.14 1kj2 s SER 88 Ca 0.56 0.68 0.23 0.00 0.48 0.00 0.00 55.95 57.89 1kj2 s SER 88 Cb -0.11 -1.20 0.07 0.00 0.10 0.00 0.00 66.02 64.89 1kj2 s SER 88 CO 0.51 -1.85 1.12 0.11 0.98 0.00 0.00 173.24 174.11 1kj2 h LYS 89 N -0.95 0.00 0.20 4.02 1.57 -1.97 -3.38 116.57 116.06 1kj2 h LYS 89 Ca -0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1kj2 h LYS 89 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1kj2 h LYS 89 CO 0.64 0.00 -0.09 0.78 -0.57 0.00 0.00 179.45 180.20 1kj2 h GLY 90 N 4.08 -0.27 -0.18 3.86 0.00 -1.95 -3.42 103.07 105.19 1kj2 h GLY 90 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1kj2 h GLY 90 CO 0.00 -0.10 -0.00 0.61 0.00 0.00 0.00 176.54 177.05 1kj2 n GLY 91 N -0.50 -0.42 2.65 4.60 0.00 -1.26 -3.58 105.19 106.67 1kj2 n GLY 91 Ca -0.09 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1kj2 n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kj2 s SER 92 N -1.13 1.91 0.37 1.61 0.15 -1.26 -4.44 113.70 110.90 1kj2 s SER 92 Ca 0.01 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.40 1kj2 s SER 92 Cb -0.00 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.01 1kj2 s SER 92 CO 0.01 -0.30 0.08 -1.00 1.20 0.00 0.00 173.24 173.23 1kj2 s HIS 93 N 2.12 2.58 -0.05 3.44 3.76 -1.21 -4.91 115.29 121.02 1kj2 s HIS 93 Ca 0.03 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 1kj2 s HIS 93 Cb -0.14 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.87 1kj2 s HIS 93 CO -0.07 0.36 -0.06 0.99 -0.85 0.00 0.00 174.74 175.11 1kj2 s THR 94 N -2.56 0.69 -0.06 1.30 2.01 -1.26 -0.99 115.64 114.77 1kj2 s THR 94 Ca 0.37 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.20 1kj2 s THR 94 Cb 0.02 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1kj2 s THR 94 CO 0.21 0.26 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.60 1kj2 s ILE 95 N 0.87 2.87 0.02 1.82 1.01 0.89 0.19 121.20 128.86 1kj2 s ILE 95 Ca -0.12 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1kj2 s ILE 95 Cb -0.15 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 1kj2 s ILE 95 CO 0.01 0.58 -0.04 -1.10 0.00 0.00 0.00 174.94 174.38 1kj2 s GLN 96 N -0.50 0.35 0.02 2.79 -0.21 0.37 -0.63 119.66 121.85 1kj2 s GLN 96 Ca 0.06 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.98 1kj2 s GLN 96 Cb -0.12 -0.14 -0.02 0.00 1.00 0.00 0.00 33.01 33.73 1kj2 s GLN 96 CO 0.01 0.02 -0.03 0.08 -2.12 0.00 0.00 175.29 173.26 1kj2 s VAL 97 N -0.92 0.12 -0.17 1.09 1.01 -0.46 0.07 120.40 121.14 1kj2 s VAL 97 Ca -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1kj2 s VAL 97 Cb -0.07 -0.25 0.05 0.00 0.00 0.00 0.00 36.38 36.11 1kj2 s VAL 97 CO -0.00 -0.45 -0.04 -0.63 0.00 0.00 0.00 175.10 173.99 1kj2 s ILE 98 N -1.31 1.02 0.00 2.22 1.01 -0.54 -0.75 121.20 122.85 1kj2 s ILE 98 Ca -0.14 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1kj2 s ILE 98 Cb -0.09 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 1kj2 s ILE 98 CO -0.01 0.06 -0.16 -0.55 0.00 0.00 0.00 174.94 174.28 1kj2 s SER 99 N 1.66 1.85 0.00 3.58 0.15 -0.57 -2.10 113.70 118.28 1kj2 s SER 99 Ca -0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1kj2 s SER 99 Cb -0.16 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1kj2 s SER 99 CO -0.07 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1kj2 n GLY 100 N 2.45 -1.34 3.35 9.45 0.00 -0.91 0.19 105.19 118.38 1kj2 n GLY 100 Ca -0.15 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 1kj2 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kj2 s GLU 102 N -3.32 0.42 0.02 0.00 2.12 -0.11 -1.95 118.70 115.88 1kj2 s GLU 102 Ca 0.37 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.71 1kj2 s GLU 102 Cb 0.02 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 1kj2 s GLU 102 CO 0.25 -0.19 -0.12 0.14 -0.54 0.00 0.00 175.26 174.79 1kj2 s VAL 103 N 1.95 0.96 0.79 3.70 -7.23 -0.90 -0.60 120.40 119.06 1kj2 s VAL 103 Ca -0.07 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.19 1kj2 s VAL 103 Cb -0.09 -0.85 0.19 0.00 0.56 0.00 0.00 36.38 36.19 1kj2 s VAL 103 CO -0.14 0.07 0.81 0.61 -0.31 0.00 0.00 175.10 176.14 1kj2 n GLY 104 N 2.24 -2.24 0.05 2.32 0.00 -0.88 -2.59 105.19 104.10 1kj2 n GLY 104 Ca -0.17 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.40 1kj2 n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kj2 n SER 105 N -4.05 0.26 -0.56 1.61 3.41 -1.25 -1.78 113.62 111.25 1kj2 n SER 105 Ca 0.11 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1kj2 n SER 105 Cb 0.40 -0.61 0.44 0.00 -0.26 0.00 0.00 64.21 64.18 1kj2 n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1kj2 n ASP 106 N -1.78 1.75 0.00 4.04 5.75 -1.26 -4.93 116.55 120.11 1kj2 n ASP 106 Ca 0.04 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 1kj2 n ASP 106 Cb 0.23 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1kj2 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kj2 n GLY 107 N 1.19 3.02 3.72 6.12 0.00 -0.74 -4.99 105.19 113.52 1kj2 n GLY 107 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1kj2 n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kj2 n ARG 108 N -2.00 1.96 -2.70 1.61 3.00 -1.26 -4.70 116.66 112.56 1kj2 n ARG 108 Ca 0.00 0.70 -0.42 0.00 -0.00 0.00 0.00 57.85 58.13 1kj2 n ARG 108 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 32.46 29.96 1kj2 n ARG 108 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1kj2 s LEU 109 N -2.14 3.80 0.33 6.15 2.96 -1.26 -2.06 118.68 126.45 1kj2 s LEU 109 Ca 0.63 -0.81 0.14 0.00 -0.22 0.00 0.00 54.13 53.87 1kj2 s LEU 109 Cb -0.48 -2.49 0.52 0.00 0.50 0.00 0.00 46.19 44.24 1kj2 s LEU 109 CO 0.57 -1.61 1.68 -0.07 -1.32 0.00 0.00 176.35 175.59 1kj2 h LEU 110 N 12.16 0.00 -7.00 -0.68 3.38 -1.20 -3.46 115.31 118.51 1kj2 h LEU 110 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1kj2 h LEU 110 Cb 1.06 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.58 1kj2 h LEU 110 CO 1.24 0.49 0.21 -0.60 0.09 0.00 0.00 178.44 179.87 1kj2 s ARG 111 N -3.63 0.74 0.03 1.13 6.06 -0.70 -4.98 118.95 117.60 1kj2 s ARG 111 Ca -0.01 0.90 0.07 0.00 -2.50 0.00 0.00 55.73 54.19 1kj2 s ARG 111 Cb 0.12 0.35 -0.03 0.00 0.06 0.00 0.00 34.95 35.45 1kj2 s ARG 111 CO 0.72 -0.09 -0.19 0.20 -2.50 0.00 0.00 175.30 173.45 1kj2 s GLY 112 N 0.40 1.54 -0.12 8.12 0.00 -1.26 -0.94 107.32 115.05 1kj2 s GLY 112 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.56 1kj2 s GLY 112 CO -0.02 -1.05 -0.15 -0.19 0.00 0.00 0.00 173.10 171.70 1kj2 s TYR 113 N -0.88 2.03 -0.37 1.90 1.51 0.10 -4.97 117.35 116.67 1kj2 s TYR 113 Ca 0.14 -1.03 0.05 0.00 -1.01 0.00 0.00 57.07 55.21 1kj2 s TYR 113 Cb -0.10 -1.48 0.17 0.00 -0.11 0.00 0.00 41.96 40.43 1kj2 s TYR 113 CO 0.04 -0.55 0.47 -1.14 -1.11 0.00 0.00 175.55 173.26 1kj2 s GLN 114 N 1.20 0.67 -0.05 -0.62 2.00 -1.20 -2.13 119.66 119.53 1kj2 s GLN 114 Ca -0.02 -0.48 0.03 0.00 -2.00 0.00 0.00 55.36 52.89 1kj2 s GLN 114 Cb -0.14 -0.36 0.01 0.00 0.80 0.00 0.00 33.01 33.32 1kj2 s GLN 114 CO -0.05 -1.17 -0.12 -0.65 -0.50 0.00 0.00 175.29 172.80 1kj2 s GLN 115 N 1.77 1.44 0.23 1.67 -0.21 -0.89 -0.65 119.66 123.02 1kj2 s GLN 115 Ca 0.15 -0.40 0.09 0.00 0.02 0.00 0.00 55.36 55.22 1kj2 s GLN 115 Cb -0.11 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 1kj2 s GLN 115 CO -0.09 0.10 -0.05 0.71 -2.12 0.00 0.00 175.29 173.83 1kj2 s TYR 116 N 0.39 2.65 -0.15 0.91 1.51 0.55 -1.47 117.35 121.75 1kj2 s TYR 116 Ca -0.08 -0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1kj2 s TYR 116 Cb -0.13 -1.22 0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1kj2 s TYR 116 CO 0.02 0.58 0.33 0.00 -1.11 0.00 0.00 175.55 175.38 1kj2 s ALA 117 N -2.08 -0.82 -0.19 3.71 0.00 0.11 -1.84 121.76 120.65 1kj2 s ALA 117 Ca 0.29 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.41 1kj2 s ALA 117 Cb -0.07 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1kj2 s ALA 117 CO 0.18 -0.40 0.08 -0.47 0.00 0.00 0.00 175.76 175.14 1kj2 s TYR 118 N 1.76 3.27 -0.91 0.00 5.04 -0.75 -0.48 117.35 125.29 1kj2 s TYR 118 Ca -0.06 0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.63 1kj2 s TYR 118 Cb -0.10 -2.11 0.03 0.00 0.35 0.00 0.00 41.96 40.12 1kj2 s TYR 118 CO -0.11 0.14 0.15 -0.25 -1.34 0.00 0.00 175.55 174.15 1kj2 n ASP 119 N 3.65 -3.16 0.00 4.32 8.00 0.51 -1.95 116.55 127.92 1kj2 n ASP 119 Ca -0.16 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1kj2 n ASP 119 Cb 0.52 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 1kj2 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kj2 n GLY 120 N -0.85 0.58 3.59 0.44 0.00 -1.26 -4.99 105.19 102.70 1kj2 n GLY 120 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1kj2 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kj2 n ASP 122 N -0.30 2.09 0.04 0.00 8.00 -1.26 -1.81 116.55 123.30 1kj2 n ASP 122 Ca -0.09 0.98 -0.00 0.00 0.71 0.00 0.00 54.79 56.39 1kj2 n ASP 122 Cb 0.57 -1.49 -0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1kj2 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kj2 n TYR 123 N -0.91 0.00 -3.48 1.24 9.36 -0.77 -4.57 117.16 118.03 1kj2 n TYR 123 Ca 0.10 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.20 1kj2 n TYR 123 Cb 0.43 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 39.09 1kj2 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1kj2 s ILE 124 N -2.03 0.00 -0.01 2.97 2.07 -1.20 -0.18 121.20 122.83 1kj2 s ILE 124 Ca -0.01 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.94 1kj2 s ILE 124 Cb 0.00 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.67 1kj2 s ILE 124 CO 0.01 0.00 0.70 0.00 -1.91 0.00 0.00 174.94 173.75 1kj2 s ALA 125 N -2.69 -1.75 -0.04 1.50 0.00 -0.91 -0.33 121.76 117.55 1kj2 s ALA 125 Ca -0.01 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 1kj2 s ALA 125 Cb -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1kj2 s ALA 125 CO -0.05 -0.48 0.99 -1.17 0.00 0.00 0.00 175.76 175.05 1kj2 s LEU 126 N -1.64 4.32 1.08 0.00 2.96 0.18 -1.61 118.68 123.97 1kj2 s LEU 126 Ca -0.06 1.62 -0.16 0.00 -0.22 0.00 0.00 54.13 55.30 1kj2 s LEU 126 Cb -0.00 -3.56 0.23 0.00 0.50 0.00 0.00 46.19 43.35 1kj2 s LEU 126 CO 0.02 -0.33 1.15 0.20 -1.32 0.00 0.00 176.35 176.07 1kj2 s ASN 127 N 1.05 2.02 0.53 3.68 0.02 -0.75 -4.73 114.94 116.75 1kj2 s ASN 127 Ca 0.51 0.71 0.28 0.00 -1.02 0.00 0.00 52.86 53.34 1kj2 s ASN 127 Cb -0.20 -1.05 1.51 0.00 0.02 0.00 0.00 41.25 41.53 1kj2 s ASN 127 CO 0.24 -3.45 2.10 -0.33 0.02 0.00 0.00 177.10 175.67 1kj2 h GLU 128 N -2.12 0.00 0.00 -0.60 4.39 -1.93 -1.27 114.58 113.05 1kj2 h GLU 128 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1kj2 h GLU 128 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1kj2 h GLU 128 CO 0.44 0.10 0.00 -0.40 -1.16 0.00 0.00 179.01 177.99 1kj2 n ASP 129 N -3.64 0.50 -2.76 1.42 5.68 -1.26 -4.84 116.55 111.66 1kj2 n ASP 129 Ca -0.02 0.59 -0.21 0.00 -0.50 0.00 0.00 54.79 54.66 1kj2 n ASP 129 Cb 0.22 -0.71 0.01 0.00 -1.14 0.00 0.00 41.12 39.50 1kj2 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1kj2 n LEU 130 N -2.02 -2.10 0.00 -2.12 4.77 -0.48 -4.79 117.00 110.27 1kj2 n LEU 130 Ca 0.04 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1kj2 n LEU 130 Cb 0.28 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 1kj2 n LEU 130 CO 0.22 0.02 -0.21 0.29 -1.33 0.00 0.00 177.39 176.38 1kj2 n LYS 131 N -3.48 1.34 -4.48 3.23 5.02 -1.26 -4.78 118.16 113.74 1kj2 n LYS 131 Ca -0.16 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.90 1kj2 n LYS 131 Cb 0.64 -0.71 -0.11 0.00 -0.02 0.00 0.00 35.03 34.83 1kj2 n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1kj2 s THR 132 N -1.42 1.50 0.44 -0.18 -4.23 -1.26 -4.85 115.64 105.63 1kj2 s THR 132 Ca 0.00 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1kj2 s THR 132 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 1kj2 s THR 132 CO 0.00 -0.07 0.14 0.26 -0.54 0.00 0.00 174.62 174.40 1kj2 s TRP 133 N -3.09 2.41 -0.16 3.99 0.52 -1.26 -1.81 118.94 119.54 1kj2 s TRP 133 Ca 0.34 -0.67 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 1kj2 s TRP 133 Cb 0.08 -1.87 0.05 0.00 -1.15 0.00 0.00 33.47 30.58 1kj2 s TRP 133 CO 0.15 0.20 0.01 0.99 0.02 0.00 0.00 176.95 178.32 1kj2 s THR 134 N -2.68 0.62 -0.10 2.01 2.01 -0.63 -4.87 115.64 112.00 1kj2 s THR 134 Ca 0.35 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.78 1kj2 s THR 134 Cb 0.05 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1kj2 s THR 134 CO 0.19 -0.02 0.37 0.00 -0.69 0.00 0.00 174.62 174.47 1kj2 s ALA 135 N 1.84 3.60 -0.04 7.40 0.00 -1.26 -2.14 121.76 131.16 1kj2 s ALA 135 Ca 0.01 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 1kj2 s ALA 135 Cb -0.16 -2.44 -0.11 0.00 0.00 0.00 0.00 23.12 20.41 1kj2 s ALA 135 CO -0.07 0.20 0.72 0.00 0.00 0.00 0.00 175.76 176.61 1kj2 h ALA 136 N 6.04 -0.44 -3.45 0.00 0.00 -0.81 -3.48 119.26 117.11 1kj2 h ALA 136 Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1kj2 h ALA 136 Cb 1.19 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1kj2 h ALA 136 CO 0.71 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1kj2 n ASP 137 N -5.07 1.53 -0.06 0.00 3.85 -1.26 -5.02 116.55 110.53 1kj2 n ASP 137 Ca -0.07 -0.45 -0.12 0.00 -0.71 0.00 0.00 54.79 53.44 1kj2 n ASP 137 Cb 0.23 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.94 1kj2 n ASP 137 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kj2 h MET 138 N 0.00 0.31 -0.62 0.11 -0.00 -1.98 -3.11 114.93 109.63 1kj2 h MET 138 Ca 0.00 -0.12 0.12 0.00 -0.00 0.00 0.00 59.70 59.71 1kj2 h MET 138 Cb 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 31.60 31.46 1kj2 h MET 138 CO 0.00 0.58 -0.16 0.00 -0.00 0.00 0.00 176.91 177.33 1kj2 h ALA 139 N 0.72 0.40 0.00 -3.00 0.00 -1.97 0.41 119.26 115.82 1kj2 h ALA 139 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1kj2 h ALA 139 Cb 0.47 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1kj2 h ALA 139 CO 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 179.25 178.89 1kj2 h ALA 140 N 1.61 1.05 0.00 0.00 0.00 -1.83 -0.27 119.26 119.82 1kj2 h ALA 140 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1kj2 h ALA 140 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1kj2 h ALA 140 CO -0.64 -0.05 -0.40 -0.07 0.00 0.00 0.00 179.25 178.09 1kj2 h LEU 141 N 0.00 0.00 0.18 0.00 4.07 -0.18 0.14 115.31 119.52 1kj2 h LEU 141 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1kj2 h LEU 141 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1kj2 h LEU 141 CO 0.00 0.40 -0.08 0.40 -1.08 0.00 0.00 178.44 178.07 1kj2 h ILE 142 N 0.00 0.00 -0.76 1.22 2.04 -1.06 -2.39 117.51 116.56 1kj2 h ILE 142 Ca -0.00 -0.07 0.14 0.00 1.00 0.00 0.00 64.86 65.92 1kj2 h ILE 142 Cb 0.81 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.75 1kj2 h ILE 142 CO 0.05 0.00 -0.28 0.74 0.00 0.00 0.00 178.15 178.66 1kj2 h THR 143 N -0.31 0.15 -1.03 -0.27 2.02 -1.55 0.33 112.91 112.26 1kj2 h THR 143 Ca -0.02 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.41 1kj2 h THR 143 Cb 0.18 0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 66.64 1kj2 h THR 143 CO 0.04 0.00 0.65 0.50 0.37 0.00 0.00 175.52 177.08 1kj2 h LYS 144 N -0.06 0.44 0.13 6.66 3.64 -0.71 -1.56 116.57 125.12 1kj2 h LYS 144 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1kj2 h LYS 144 Cb 0.58 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1kj2 h LYS 144 CO -0.80 0.29 -0.06 1.25 -2.27 0.00 0.00 179.45 177.85 1kj2 h HIS 145 N 0.45 -0.17 -0.35 1.91 2.76 0.18 -2.06 115.15 117.87 1kj2 h HIS 145 Ca 0.60 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.82 1kj2 h HIS 145 Cb 1.41 0.05 -0.08 0.00 1.55 0.00 0.00 27.41 30.34 1kj2 h HIS 145 CO -0.00 0.29 -0.48 0.87 -1.30 0.00 0.00 177.93 177.31 1kj2 h LYS 146 N -0.73 -0.38 -0.08 5.26 1.57 -0.84 -0.08 116.57 121.28 1kj2 h LYS 146 Ca -0.02 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1kj2 h LYS 146 Cb 0.53 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1kj2 h LYS 146 CO 0.03 -0.25 0.06 -1.49 -0.57 0.00 0.00 179.45 177.22 1kj2 h TRP 147 N -0.39 0.05 -0.18 -1.35 4.06 -1.40 0.19 115.95 116.94 1kj2 h TRP 147 Ca 0.10 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 1kj2 h TRP 147 Cb 0.60 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 1kj2 h TRP 147 CO -0.64 0.03 -0.38 0.93 -3.56 0.00 0.00 178.44 174.83 1kj2 h GLU 148 N 0.05 0.39 0.14 0.49 5.08 -0.32 -1.24 114.58 119.17 1kj2 h GLU 148 Ca 0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1kj2 h GLU 148 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1kj2 h GLU 148 CO -0.00 0.71 -0.07 0.37 -1.00 0.00 0.00 179.01 179.02 1kj2 h GLN 149 N 0.33 -0.18 0.00 2.33 4.15 0.32 -3.24 115.11 118.82 1kj2 h GLN 149 Ca 0.03 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1kj2 h GLN 149 Cb 0.81 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1kj2 h GLN 149 CO 0.07 0.17 0.00 0.00 -1.93 0.00 0.00 178.83 177.14 1kj2 n ALA 150 N -2.66 1.72 -2.47 3.38 0.00 0.50 -4.83 120.51 116.15 1kj2 n ALA 150 Ca -0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 1kj2 n ALA 150 Cb 0.22 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1kj2 n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kj2 n GLY 151 N -0.57 -0.31 0.43 0.00 0.00 -0.94 -4.90 105.19 98.90 1kj2 n GLY 151 Ca 0.05 -0.14 0.24 0.00 0.00 0.00 0.00 46.02 46.17 1kj2 n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1kj2 h GLU 152 N -0.32 0.27 -0.97 1.61 4.57 -1.53 0.23 114.58 118.45 1kj2 h GLU 152 Ca -0.41 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.78 1kj2 h GLU 152 Cb 1.30 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 1kj2 h GLU 152 CO 0.47 0.18 0.64 0.00 -1.18 0.00 0.00 179.01 179.12 1kj2 h ALA 153 N 1.58 1.25 -0.75 2.92 0.00 -1.89 -1.51 119.26 120.86 1kj2 h ALA 153 Ca 0.51 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1kj2 h ALA 153 Cb 1.51 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1kj2 h ALA 153 CO -0.16 0.58 0.32 0.93 0.00 0.00 0.00 179.25 180.92 1kj2 h GLU 154 N 1.28 1.12 -0.55 0.00 3.07 -1.25 0.80 114.58 119.04 1kj2 h GLU 154 Ca 0.37 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1kj2 h GLU 154 Cb -0.09 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.60 1kj2 h GLU 154 CO -0.09 0.90 0.27 -0.09 -1.40 0.00 0.00 179.01 178.60 1kj2 h ARG 155 N 1.08 0.79 -0.18 2.33 2.43 -1.32 -1.20 114.38 118.31 1kj2 h ARG 155 Ca 0.25 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1kj2 h ARG 155 Cb 0.18 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1kj2 h ARG 155 CO -0.02 0.64 0.04 1.25 -1.51 0.00 0.00 179.97 180.36 1kj2 h LEU 156 N 0.74 0.27 -1.58 3.80 5.85 -0.84 -1.10 115.31 122.46 1kj2 h LEU 156 Ca 0.19 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.78 1kj2 h LEU 156 Cb 0.11 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1kj2 h LEU 156 CO -0.03 0.45 0.45 -0.09 -0.34 0.00 0.00 178.44 178.89 1kj2 h ARG 157 N 0.09 0.44 0.49 1.25 2.43 -0.61 0.31 114.38 118.78 1kj2 h ARG 157 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1kj2 h ARG 157 Cb 0.29 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1kj2 h ARG 157 CO 0.00 0.29 -0.24 0.00 -1.51 0.00 0.00 179.97 178.52 1kj2 h ALA 158 N 1.67 -0.66 -0.42 2.80 0.00 -0.70 -2.28 119.26 119.67 1kj2 h ALA 158 Ca 0.32 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1kj2 h ALA 158 Cb 0.64 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1kj2 h ALA 158 CO -0.10 -0.72 -0.28 -0.92 0.00 0.00 0.00 179.25 177.23 1kj2 h TYR 159 N -0.96 -0.76 -0.17 0.00 3.20 -0.10 0.68 116.97 118.87 1kj2 h TYR 159 Ca -0.07 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1kj2 h TYR 159 Cb 0.60 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1kj2 h TYR 159 CO 0.01 -0.35 0.03 -0.07 -1.64 0.00 0.00 178.16 176.14 1kj2 h LEU 160 N -0.20 0.01 -0.65 2.82 3.38 -0.46 -2.15 115.31 118.05 1kj2 h LEU 160 Ca 0.19 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1kj2 h LEU 160 Cb 0.51 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1kj2 h LEU 160 CO -0.53 0.03 -0.29 -0.33 0.09 0.00 0.00 178.44 177.41 1kj2 h GLU 161 N 0.10 0.00 0.00 1.13 5.08 -1.08 -2.97 114.58 116.84 1kj2 h GLU 161 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1kj2 h GLU 161 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1kj2 h GLU 161 CO -0.10 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 1kj2 n GLY 162 N 0.58 0.09 0.34 -3.84 0.00 0.20 -4.66 105.19 97.91 1kj2 n GLY 162 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1kj2 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kj2 h THR 163 N 0.00 0.24 0.16 2.61 2.02 -1.69 -1.67 112.91 114.59 1kj2 h THR 163 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1kj2 h THR 163 Cb 0.00 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 1kj2 h THR 163 CO 0.00 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.50 1kj2 h VAL 165 N -0.65 0.79 -0.48 0.00 2.07 -1.49 -0.90 116.25 115.59 1kj2 h VAL 165 Ca 0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1kj2 h VAL 165 Cb 0.66 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1kj2 h VAL 165 CO -0.20 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.34 1kj2 h GLU 166 N -0.07 0.77 0.00 1.57 4.81 -1.04 -1.94 114.58 118.68 1kj2 h GLU 166 Ca 0.06 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1kj2 h GLU 166 Cb 0.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1kj2 h GLU 166 CO -0.15 0.76 -0.57 -1.49 -0.73 0.00 0.00 179.01 176.83 1kj2 h TRP 167 N 0.73 0.00 -0.06 0.92 4.06 -0.70 -2.89 115.95 118.02 1kj2 h TRP 167 Ca 0.15 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 1kj2 h TRP 167 Cb 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1kj2 h TRP 167 CO 0.02 0.37 -0.00 1.25 -3.56 0.00 0.00 178.44 176.51 1kj2 h LEU 168 N 0.00 0.10 -0.99 -4.49 5.85 -0.94 0.93 115.31 115.77 1kj2 h LEU 168 Ca -0.03 -0.33 0.20 0.00 0.84 0.00 0.00 57.88 58.56 1kj2 h LEU 168 Cb 1.30 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 1kj2 h LEU 168 CO 0.04 0.41 0.58 -0.09 -0.34 0.00 0.00 178.44 179.04 1kj2 h ARG 169 N -0.21 0.69 -0.11 1.25 2.43 -1.35 -0.70 114.38 116.37 1kj2 h ARG 169 Ca 0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1kj2 h ARG 169 Cb 0.36 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1kj2 h ARG 169 CO 0.00 0.45 -0.30 -0.09 -1.51 0.00 0.00 179.97 178.52 1kj2 h ARG 170 N 0.71 0.40 -0.82 0.20 2.43 -1.26 -3.02 114.38 113.02 1kj2 h ARG 170 Ca 0.58 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1kj2 h ARG 170 Cb 0.94 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1kj2 h ARG 170 CO -0.40 0.90 0.54 1.88 -1.51 0.00 0.00 179.97 181.37 1kj2 h TYR 171 N -0.03 0.97 0.00 2.20 0.05 0.20 -2.35 116.97 118.01 1kj2 h TYR 171 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1kj2 h TYR 171 Cb 0.92 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1kj2 h TYR 171 CO 0.11 0.57 0.00 1.28 -1.05 0.00 0.00 178.16 179.07 1kj2 n LEU 172 N -4.45 0.00 -0.21 3.88 4.77 -0.37 -1.20 117.00 119.43 1kj2 n LEU 172 Ca 0.11 0.96 -0.05 0.00 -0.03 0.00 0.00 56.01 57.00 1kj2 n LEU 172 Cb 0.11 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1kj2 n LEU 172 CO 0.35 -0.46 0.25 1.17 -1.33 0.00 0.00 177.39 177.37 1kj2 n LYS 173 N -1.91 -0.20 -0.08 3.23 4.81 -1.14 0.18 118.16 123.04 1kj2 n LYS 173 Ca 0.00 0.75 -0.01 0.00 -0.87 0.00 0.00 58.31 58.19 1kj2 n LYS 173 Cb 0.00 -1.11 0.26 0.00 0.02 0.00 0.00 35.03 34.21 1kj2 n LYS 173 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1kj2 h ASN 174 N 0.00 0.66 -0.01 3.14 2.35 -1.38 -3.21 115.58 117.13 1kj2 h ASN 174 Ca 0.10 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1kj2 h ASN 174 Cb 0.22 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1kj2 h ASN 174 CO -0.47 0.62 -0.21 0.61 -1.65 0.00 0.00 177.43 176.33 1kj2 n GLY 175 N -1.03 -0.01 0.31 2.83 0.00 0.16 -4.73 105.19 102.72 1kj2 n GLY 175 Ca 0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1kj2 n GLY 175 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kj2 n ASN 176 N 0.16 -0.61 -0.20 1.61 2.85 0.47 -0.30 115.26 119.24 1kj2 n ASN 176 Ca 0.07 1.35 0.25 0.00 -0.11 0.00 0.00 54.58 56.14 1kj2 n ASN 176 Cb 0.33 -0.26 0.65 0.00 1.24 0.00 0.00 39.78 41.74 1kj2 n ASN 176 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kj2 h ALA 177 N 0.82 2.61 0.03 5.20 0.00 -1.85 0.22 119.26 126.29 1kj2 h ALA 177 Ca 0.22 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.73 1kj2 h ALA 177 Cb 0.41 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1kj2 h ALA 177 CO -0.75 -0.88 -2.24 2.41 0.00 0.00 0.00 179.25 177.80 1kj2 n THR 178 N -4.36 1.57 0.15 0.00 -1.04 0.59 -3.96 114.28 107.23 1kj2 n THR 178 Ca 0.19 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.05 61.59 1kj2 n THR 178 Cb 0.86 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 67.61 1kj2 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1kj2 h LEU 179 N -0.38 -0.27 -1.31 -4.42 3.38 -0.73 -2.87 115.31 108.70 1kj2 h LEU 179 Ca -0.55 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1kj2 h LEU 179 Cb 1.78 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1kj2 h LEU 179 CO -0.16 -0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.36 1kj2 n LEU 180 N -5.23 1.76 0.00 1.67 4.32 0.05 -4.89 117.00 114.68 1kj2 n LEU 180 Ca -0.09 -0.89 -0.26 0.00 -0.02 0.00 0.00 56.01 54.76 1kj2 n LEU 180 Cb 0.15 -0.42 0.19 0.00 -1.62 0.00 0.00 43.42 41.72 1kj2 n LEU 180 CO 0.34 0.31 0.68 -2.11 -1.22 0.00 0.00 177.39 175.39 1kj2 n ARG 181 N 0.10 -1.74 -3.46 3.23 1.85 -1.09 -5.02 116.66 110.54 1kj2 n ARG 181 Ca 0.06 -1.69 -0.04 0.00 -1.00 0.00 0.00 57.85 55.18 1kj2 n ARG 181 Cb 0.38 -1.27 -0.06 0.00 -1.05 0.00 0.00 32.46 30.46 1kj2 n ARG 181 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1kj2 s THR 182 N -3.24 -0.79 -0.35 8.89 2.01 -1.26 -4.65 115.64 116.24 1kj2 s THR 182 Ca 0.64 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.60 1kj2 s THR 182 Cb -0.03 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.67 1kj2 s THR 182 CO 0.46 -0.01 0.14 -1.81 -0.69 0.00 0.00 174.62 172.71 1kj2 s ASP 183 N 2.71 5.42 0.65 3.53 1.01 0.41 -4.95 116.67 125.46 1kj2 s ASP 183 Ca 0.06 -1.18 -0.17 0.00 0.71 0.00 0.00 52.55 51.97 1kj2 s ASP 183 Cb -0.14 -1.91 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 1kj2 s ASP 183 CO -0.17 -0.36 1.25 -0.44 0.21 0.00 0.00 175.17 175.66 1kj2 s SER 184 N 1.51 4.67 0.68 0.27 0.01 -1.26 -0.69 113.70 118.89 1kj2 s SER 184 Ca -0.00 2.49 -0.11 0.00 1.31 0.00 0.00 55.95 59.64 1kj2 s SER 184 Cb -0.20 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 1kj2 s SER 184 CO 0.03 -1.95 1.05 -2.16 0.41 0.00 0.00 173.24 170.62 1kj2 s PRO 185 N -3.49 3.06 -0.30 12.44 0.04 -1.26 -4.40 135.00 141.08 1kj2 s PRO 185 Ca 0.79 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.78 1kj2 s PRO 185 Cb -0.33 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.27 1kj2 s PRO 185 CO 0.39 -1.00 -0.01 0.15 0.04 0.00 0.00 177.00 176.56 1kj2 s LYS 186 N -5.03 2.07 0.07 4.56 1.02 -0.71 -4.90 119.74 116.82 1kj2 s LYS 186 Ca 0.58 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 55.08 1kj2 s LYS 186 Cb -0.14 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1kj2 s LYS 186 CO 0.54 -0.72 0.10 0.00 -0.92 0.00 0.00 175.35 174.35 1kj2 s ALA 187 N 1.09 3.65 0.01 5.17 0.00 -1.25 -2.23 121.76 128.20 1kj2 s ALA 187 Ca -0.01 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 1kj2 s ALA 187 Cb -0.20 -1.53 0.07 0.00 0.00 0.00 0.00 23.12 21.46 1kj2 s ALA 187 CO -0.05 0.76 0.63 -3.38 0.00 0.00 0.00 175.76 173.73 1kj2 s HIS 188 N -1.39 -0.59 0.02 0.00 -3.43 -1.02 -4.99 115.29 103.88 1kj2 s HIS 188 Ca 0.30 0.85 0.01 0.00 -0.80 0.00 0.00 55.06 55.42 1kj2 s HIS 188 Cb -0.12 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 1kj2 s HIS 188 CO 0.22 -0.66 0.05 0.08 -2.00 0.00 0.00 174.74 172.43 1kj2 s VAL 189 N -1.91 4.44 0.14 -5.38 1.01 -1.26 -0.79 120.40 116.66 1kj2 s VAL 189 Ca -0.08 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1kj2 s VAL 189 Cb -0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1kj2 s VAL 189 CO 0.03 0.30 -0.22 0.42 0.00 0.00 0.00 175.10 175.63 1kj2 s THR 190 N -1.21 1.96 -0.20 3.92 -4.23 0.81 -4.96 115.64 111.74 1kj2 s THR 190 Ca 0.23 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 58.91 1kj2 s THR 190 Cb -0.12 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1kj2 s THR 190 CO 0.15 -0.12 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.81 1kj2 s HIS 191 N -1.51 3.02 -0.04 3.99 2.46 -1.26 -1.76 115.29 120.20 1kj2 s HIS 191 Ca 0.13 -0.52 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1kj2 s HIS 191 Cb -0.08 -2.08 0.03 0.00 -0.13 0.00 0.00 32.58 30.32 1kj2 s HIS 191 CO 0.06 -0.27 -0.00 -1.01 -2.47 0.00 0.00 174.74 171.05 1kj2 s HIS 192 N 1.03 0.40 0.30 3.88 3.76 -0.58 -5.01 115.29 119.07 1kj2 s HIS 192 Ca 0.02 -0.03 -0.27 0.00 -0.15 0.00 0.00 55.06 54.62 1kj2 s HIS 192 Cb -0.14 -0.49 -0.10 0.00 1.11 0.00 0.00 32.58 32.96 1kj2 s HIS 192 CO 0.01 -0.16 0.96 -1.12 -0.85 0.00 0.00 174.74 173.58 1kj2 s SER 193 N 1.17 7.40 0.41 1.40 0.01 -1.26 0.19 113.70 123.02 1kj2 s SER 193 Ca -0.08 1.91 0.07 0.00 1.31 0.00 0.00 55.95 59.17 1kj2 s SER 193 Cb -0.13 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 1kj2 s SER 193 CO -0.02 -0.02 0.18 -0.60 0.41 0.00 0.00 173.24 173.19 1kj2 s ARG 194 N -1.77 2.23 0.35 12.44 6.06 0.11 -4.77 118.95 133.60 1kj2 s ARG 194 Ca 0.47 -1.83 -0.26 0.00 -2.50 0.00 0.00 55.73 51.61 1kj2 s ARG 194 Cb -0.22 -1.99 -0.13 0.00 0.06 0.00 0.00 34.95 32.67 1kj2 s ARG 194 CO 0.27 -0.11 0.86 -2.30 -2.50 0.00 0.00 175.30 171.53 1kj2 n PRO 195 N -1.23 1.07 0.00 5.12 -0.02 -1.26 -4.19 135.00 134.49 1kj2 n PRO 195 Ca -0.01 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1kj2 n PRO 195 Cb 0.64 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1kj2 n PRO 195 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kj2 n GLU 196 N 0.55 0.00 -0.50 -0.52 -0.58 -1.26 -3.41 120.64 114.93 1kj2 n GLU 196 Ca 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.83 1kj2 n GLU 196 Cb 0.35 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.20 1kj2 n GLU 196 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1kj2 n ASP 197 N 0.21 4.77 -4.00 1.62 5.75 -1.26 -4.89 116.55 118.75 1kj2 n ASP 197 Ca 0.00 -2.27 -0.09 0.00 -0.01 0.00 0.00 54.79 52.42 1kj2 n ASP 197 Cb 0.00 -1.04 -0.11 0.00 -1.03 0.00 0.00 41.12 38.94 1kj2 n ASP 197 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1kj2 s LYS 198 N 0.33 0.41 0.06 0.11 1.02 -1.22 -2.46 119.74 118.00 1kj2 s LYS 198 Ca 0.07 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.34 1kj2 s LYS 198 Cb 0.03 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 1kj2 s LYS 198 CO 0.00 -0.07 -0.11 0.14 -0.92 0.00 0.00 175.35 174.39 1kj2 s VAL 199 N -2.14 0.82 -0.25 3.17 -7.23 0.17 0.06 120.40 115.00 1kj2 s VAL 199 Ca -0.10 -1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 1kj2 s VAL 199 Cb -0.05 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 1kj2 s VAL 199 CO -0.03 -0.35 0.18 -0.89 -0.31 0.00 0.00 175.10 173.69 1kj2 s THR 200 N -1.51 5.34 -0.29 5.32 2.01 0.51 -0.45 115.64 126.57 1kj2 s THR 200 Ca -0.05 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 1kj2 s THR 200 Cb -0.09 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1kj2 s THR 200 CO 0.01 0.32 0.14 -0.76 -0.69 0.00 0.00 174.62 173.64 1kj2 s LEU 201 N 1.22 3.89 -0.18 4.42 1.43 0.27 -1.53 118.68 128.22 1kj2 s LEU 201 Ca 0.08 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1kj2 s LEU 201 Cb -0.14 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1kj2 s LEU 201 CO 0.06 -0.12 -0.08 -0.60 0.23 0.00 0.00 176.35 175.85 1kj2 s ARG 202 N 1.65 3.43 -0.26 1.70 3.52 -0.72 -0.97 118.95 127.30 1kj2 s ARG 202 Ca 0.06 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.93 1kj2 s ARG 202 Cb -0.16 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 1kj2 s ARG 202 CO 0.06 0.03 0.15 0.00 -0.81 0.00 0.00 175.30 174.73 1kj2 s TRP 204 N 1.41 2.99 -0.13 0.00 0.52 0.03 -1.26 118.94 122.50 1kj2 s TRP 204 Ca 0.07 0.02 -0.00 0.00 0.02 0.00 0.00 56.10 56.21 1kj2 s TRP 204 Cb -0.15 -1.63 0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1kj2 s TRP 204 CO 0.07 0.42 -0.09 0.00 0.02 0.00 0.00 176.95 177.37 1kj2 s ALA 205 N -1.06 1.52 0.15 0.98 0.00 0.48 -2.44 121.76 121.40 1kj2 s ALA 205 Ca 0.19 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1kj2 s ALA 205 Cb -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1kj2 s ALA 205 CO 0.09 -0.46 -0.13 -0.51 0.00 0.00 0.00 175.76 174.76 1kj2 s LEU 206 N 1.63 2.49 -1.51 0.00 1.43 -0.94 -1.44 118.68 120.34 1kj2 s LEU 206 Ca 0.04 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 1kj2 s LEU 206 Cb -0.13 -0.50 0.10 0.00 0.03 0.00 0.00 46.19 45.69 1kj2 s LEU 206 CO -0.09 -0.23 0.75 0.61 0.23 0.00 0.00 176.35 177.63 1kj2 n GLY 207 N 0.01 -0.48 3.91 -3.19 0.00 -1.04 -1.73 105.19 102.67 1kj2 n GLY 207 Ca -0.11 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1kj2 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kj2 s PHE 208 N -3.16 2.96 -0.28 1.61 -0.12 -1.14 -4.69 117.98 113.15 1kj2 s PHE 208 Ca 0.60 -0.29 -0.22 0.00 -0.05 0.00 0.00 56.93 56.97 1kj2 s PHE 208 Cb -0.31 -1.91 0.12 0.00 -0.63 0.00 0.00 43.02 40.28 1kj2 s PHE 208 CO 0.74 0.07 0.98 -0.47 -0.05 0.00 0.00 175.22 176.49 1kj2 s TYR 209 N -2.27 -0.56 1.26 3.49 5.04 0.13 -0.49 117.35 123.95 1kj2 s TYR 209 Ca 0.43 1.26 -0.18 0.00 -2.44 0.00 0.00 57.07 56.14 1kj2 s TYR 209 Cb -0.07 0.37 0.31 0.00 0.35 0.00 0.00 41.96 42.92 1kj2 s TYR 209 CO 0.28 -0.27 1.02 -1.25 -1.34 0.00 0.00 175.55 174.00 1kj2 s PRO 210 N 0.62 -1.65 0.00 4.97 0.04 -1.26 -0.45 135.00 137.27 1kj2 s PRO 210 Ca -0.01 0.24 0.22 0.00 0.04 0.00 0.00 61.00 61.50 1kj2 s PRO 210 Cb -0.05 -1.52 1.23 0.00 0.04 0.00 0.00 34.50 34.20 1kj2 s PRO 210 CO -0.09 -4.06 1.72 0.00 0.04 0.00 0.00 177.00 174.61 1kj2 n ALA 211 N -5.06 2.23 -2.45 8.56 0.00 -1.26 -4.72 120.51 117.81 1kj2 n ALA 211 Ca 0.10 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1kj2 n ALA 211 Cb 0.58 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1kj2 n ALA 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kj2 s ASP 212 N -2.30 6.35 0.02 0.00 1.01 -1.26 -4.96 116.67 115.53 1kj2 s ASP 212 Ca 0.27 0.47 -0.07 0.00 0.71 0.00 0.00 52.55 53.93 1kj2 s ASP 212 Cb 0.15 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.53 1kj2 s ASP 212 CO 0.30 -1.49 0.14 -0.51 0.21 0.00 0.00 175.17 173.82 1kj2 s ILE 213 N 5.37 0.11 -0.07 0.77 2.07 -1.26 -4.64 121.20 123.54 1kj2 s ILE 213 Ca 0.53 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1kj2 s ILE 213 Cb -0.10 -0.72 0.02 0.00 0.13 0.00 0.00 42.46 41.78 1kj2 s ILE 213 CO 0.29 -0.48 -0.06 -0.89 -1.91 0.00 0.00 174.94 171.89 1kj2 s THR 214 N -2.12 0.77 -0.12 4.00 2.01 -0.96 -5.01 115.64 114.20 1kj2 s THR 214 Ca -0.09 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1kj2 s THR 214 Cb -0.04 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1kj2 s THR 214 CO -0.02 0.30 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.23 1kj2 s LEU 215 N 1.30 2.13 0.05 4.42 1.43 -1.26 -1.13 118.68 125.62 1kj2 s LEU 215 Ca -0.04 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 1kj2 s LEU 215 Cb -0.14 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1kj2 s LEU 215 CO -0.03 0.12 -0.12 0.42 0.23 0.00 0.00 176.35 176.98 1kj2 s THR 216 N 0.57 0.91 -0.04 5.49 -4.23 -0.55 -4.96 115.64 112.83 1kj2 s THR 216 Ca -0.13 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1kj2 s THR 216 Cb -0.17 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 1kj2 s THR 216 CO 0.04 -0.16 -0.05 0.26 -0.54 0.00 0.00 174.62 174.17 1kj2 s TRP 217 N -1.06 2.97 0.05 3.99 0.52 -1.26 0.05 118.94 124.20 1kj2 s TRP 217 Ca -0.02 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.19 1kj2 s TRP 217 Cb -0.09 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1kj2 s TRP 217 CO 0.01 0.38 -0.17 -0.65 0.02 0.00 0.00 176.95 176.55 1kj2 s GLN 218 N -1.13 1.09 -0.65 4.98 -0.21 0.18 -2.52 119.66 121.40 1kj2 s GLN 218 Ca 0.15 -0.85 0.05 0.00 0.02 0.00 0.00 55.36 54.73 1kj2 s GLN 218 Cb -0.11 -1.16 0.16 0.00 1.00 0.00 0.00 33.01 32.91 1kj2 s GLN 218 CO 0.05 0.29 0.44 -1.17 -2.12 0.00 0.00 175.29 172.78 1kj2 s LEU 219 N -1.22 4.45 -1.10 2.90 2.96 -1.23 -0.98 118.68 124.45 1kj2 s LEU 219 Ca 0.04 -3.64 -0.28 0.00 -0.22 0.00 0.00 54.13 50.03 1kj2 s LEU 219 Cb -0.08 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.11 1kj2 s LEU 219 CO 0.02 -0.12 0.64 0.59 -1.32 0.00 0.00 176.35 176.16 1kj2 n ASN 220 N 2.24 -4.10 0.00 3.68 3.02 -1.23 -4.04 115.26 114.83 1kj2 n ASN 220 Ca 0.18 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1kj2 n ASN 220 Cb 0.35 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 1kj2 n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kj2 n GLY 221 N -1.99 1.23 3.72 7.41 0.00 -1.26 -5.09 105.19 109.22 1kj2 n GLY 221 Ca -0.15 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1kj2 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kj2 s GLU 222 N 0.00 4.44 1.12 1.61 2.12 -1.26 -4.99 118.70 121.74 1kj2 s GLU 222 Ca 0.00 0.87 -0.12 0.00 0.36 0.00 0.00 54.97 56.08 1kj2 s GLU 222 Cb 0.00 -3.44 0.26 0.00 0.26 0.00 0.00 34.13 31.21 1kj2 s GLU 222 CO 0.00 0.08 1.05 -1.21 -0.54 0.00 0.00 175.26 174.64 1kj2 s GLU 223 N 0.75 -0.61 -0.85 4.30 2.02 -1.26 -3.53 118.70 119.53 1kj2 s GLU 223 Ca 0.37 1.05 0.01 0.00 0.02 0.00 0.00 54.97 56.42 1kj2 s GLU 223 Cb -0.18 -1.57 0.31 0.00 0.10 0.00 0.00 34.13 32.79 1kj2 s GLU 223 CO 0.18 -3.58 1.30 1.28 0.02 0.00 0.00 175.26 174.47 1kj2 n LEU 224 N -4.84 5.68 0.00 1.80 4.32 -1.05 -4.91 117.00 118.00 1kj2 n LEU 224 Ca 0.05 -5.44 0.00 0.00 -0.02 0.00 0.00 56.01 50.60 1kj2 n LEU 224 Cb 0.53 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1kj2 n LEU 224 CO 0.55 2.05 0.20 -0.38 -1.22 0.00 0.00 177.39 178.59 1kj2 n ILE 225 N 0.40 0.00 0.18 -0.08 5.41 -1.26 -1.88 119.36 122.13 1kj2 n ILE 225 Ca 0.34 0.82 0.05 0.00 1.00 0.00 0.00 62.75 64.96 1kj2 n ILE 225 Cb 0.34 -1.24 0.48 0.00 -0.71 0.00 0.00 39.64 38.52 1kj2 n ILE 225 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1kj2 h GLN 226 N 0.00 0.13 -0.02 0.38 3.07 -2.04 -3.26 115.11 113.36 1kj2 h GLN 226 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 1kj2 h GLN 226 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.54 1kj2 h GLN 226 CO 0.00 0.23 -0.07 -0.44 0.09 0.00 0.00 178.83 178.64 1kj2 h ASP 227 N 0.12 0.09 -1.84 0.06 3.32 -1.96 -3.45 116.42 112.78 1kj2 h ASP 227 Ca 0.03 -0.62 -0.65 0.00 0.02 0.00 0.00 57.03 55.80 1kj2 h ASP 227 Cb 0.24 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1kj2 h ASP 227 CO 0.01 0.70 1.08 0.80 -1.72 0.00 0.00 179.24 180.11 1kj2 n MET 228 N -4.71 1.83 -3.56 3.56 0.00 -0.79 -4.90 117.12 108.55 1kj2 n MET 228 Ca -0.09 0.66 -0.37 0.00 -0.00 0.00 0.00 57.70 57.91 1kj2 n MET 228 Cb 0.35 -2.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.00 1kj2 n MET 228 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1kj2 s GLU 229 N 4.15 4.13 -0.07 2.12 2.12 -0.09 -4.92 118.70 126.14 1kj2 s GLU 229 Ca 0.96 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 56.39 1kj2 s GLU 229 Cb -0.80 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.26 1kj2 s GLU 229 CO 0.55 0.36 0.14 -0.48 -0.54 0.00 0.00 175.26 175.29 1kj2 s LEU 230 N 0.10 0.44 0.83 2.70 2.34 -1.26 -0.04 118.68 123.78 1kj2 s LEU 230 Ca 0.18 0.29 -0.11 0.00 0.06 0.00 0.00 54.13 54.55 1kj2 s LEU 230 Cb -0.13 0.30 0.09 0.00 -0.56 0.00 0.00 46.19 45.88 1kj2 s LEU 230 CO 0.05 -0.18 1.09 0.68 -1.06 0.00 0.00 176.35 176.93 1kj2 s VAL 231 N 1.60 3.03 0.30 1.48 -7.23 -1.01 -4.99 120.40 113.57 1kj2 s VAL 231 Ca -0.04 0.33 -0.28 0.00 -1.81 0.00 0.00 61.98 60.18 1kj2 s VAL 231 Cb -0.12 -2.82 -0.09 0.00 0.56 0.00 0.00 36.38 33.91 1kj2 s VAL 231 CO -0.06 -0.44 1.04 -1.61 -0.31 0.00 0.00 175.10 173.73 1kj2 s GLU 232 N -4.92 4.58 0.17 4.82 0.41 -1.26 -4.63 118.70 117.86 1kj2 s GLU 232 Ca 0.62 1.63 -0.33 0.00 -0.41 0.00 0.00 54.97 56.48 1kj2 s GLU 232 Cb -0.17 -3.03 -0.15 0.00 -1.78 0.00 0.00 34.13 28.99 1kj2 s GLU 232 CO 0.56 0.21 1.33 2.41 -0.49 0.00 0.00 175.26 179.28 1kj2 n THR 233 N 0.92 0.59 -4.21 3.63 -1.04 -1.26 -4.87 114.28 108.04 1kj2 n THR 233 Ca 0.00 -0.15 -0.17 0.00 -2.04 0.00 0.00 64.05 61.69 1kj2 n THR 233 Cb 0.47 -1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 67.75 1kj2 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kj2 s ARG 234 N -0.02 0.95 0.13 -2.82 1.70 -0.45 -4.97 118.95 113.47 1kj2 s ARG 234 Ca 0.75 -1.17 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 1kj2 s ARG 234 Cb -0.79 -0.80 -0.06 0.00 -0.57 0.00 0.00 34.95 32.72 1kj2 s ARG 234 CO 0.48 0.15 1.05 -1.25 -1.08 0.00 0.00 175.30 174.66 1kj2 s PRO 235 N -2.54 4.61 0.18 3.89 0.04 -1.26 -0.40 135.00 139.52 1kj2 s PRO 235 Ca 0.06 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1kj2 s PRO 235 Cb -0.05 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1kj2 s PRO 235 CO 0.02 0.09 1.41 0.00 0.04 0.00 0.00 177.00 178.55 1kj2 h ALA 236 N 5.55 0.59 0.00 8.56 0.00 -1.40 -3.46 119.26 129.09 1kj2 h ALA 236 Ca -0.43 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1kj2 h ALA 236 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1kj2 h ALA 236 CO 0.73 1.05 0.00 0.41 0.00 0.00 0.00 179.25 181.44 1kj2 n GLY 237 N 0.92 1.07 0.37 0.00 0.00 -1.26 -4.96 105.19 101.32 1kj2 n GLY 237 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kj2 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kj2 n ASP 238 N 0.00 0.08 0.00 1.61 5.75 -1.26 -4.97 116.55 117.76 1kj2 n ASP 238 Ca 0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1kj2 n ASP 238 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1kj2 n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kj2 n GLY 239 N -0.05 1.07 3.75 6.12 0.00 -1.26 -5.08 105.19 109.75 1kj2 n GLY 239 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1kj2 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kj2 s THR 240 N -2.17 2.16 0.29 2.61 -4.23 -1.26 -4.86 115.64 108.18 1kj2 s THR 240 Ca 0.00 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1kj2 s THR 240 Cb 0.00 -2.87 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 1kj2 s THR 240 CO 0.00 0.00 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.64 1kj2 s PHE 241 N -2.64 2.07 0.08 3.99 0.40 0.36 -1.03 117.98 121.21 1kj2 s PHE 241 Ca 0.38 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1kj2 s PHE 241 Cb 0.03 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1kj2 s PHE 241 CO 0.21 0.38 -0.11 -0.65 0.70 0.00 0.00 175.22 175.75 1kj2 s GLN 242 N -3.68 0.78 -0.17 0.44 -0.21 0.46 -2.48 119.66 114.79 1kj2 s GLN 242 Ca 0.30 -1.01 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 1kj2 s GLN 242 Cb 0.03 -0.60 0.11 0.00 1.00 0.00 0.00 33.01 33.55 1kj2 s GLN 242 CO 0.13 0.11 0.91 0.21 -2.12 0.00 0.00 175.29 174.53 1kj2 s LYS 243 N -2.17 0.70 0.04 2.91 2.20 -0.52 -1.34 119.74 121.57 1kj2 s LYS 243 Ca -0.00 0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 55.89 1kj2 s LYS 243 Cb -0.07 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1kj2 s LYS 243 CO 0.01 -0.19 0.12 1.67 -0.36 0.00 0.00 175.35 176.60 1kj2 s TRP 244 N -0.72 0.17 -0.01 4.03 1.48 -1.26 -0.39 118.94 122.25 1kj2 s TRP 244 Ca -0.03 -0.47 0.01 0.00 -1.06 0.00 0.00 56.10 54.55 1kj2 s TRP 244 Cb -0.02 -0.12 0.01 0.00 -1.16 0.00 0.00 33.47 32.18 1kj2 s TRP 244 CO 0.02 -0.38 -0.02 0.00 -4.06 0.00 0.00 176.95 172.51 1kj2 s ALA 245 N -2.66 0.24 0.20 2.67 0.00 -0.39 -2.40 121.76 119.42 1kj2 s ALA 245 Ca -0.04 -0.01 0.07 0.00 0.00 0.00 0.00 51.96 51.97 1kj2 s ALA 245 Cb -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1kj2 s ALA 245 CO -0.05 0.01 -0.12 -1.54 0.00 0.00 0.00 175.76 174.06 1kj2 s SER 246 N 0.30 2.40 -0.06 0.00 1.04 0.94 0.59 113.70 118.91 1kj2 s SER 246 Ca -0.03 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.24 1kj2 s SER 246 Cb -0.05 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1kj2 s SER 246 CO -0.01 -0.23 0.30 0.54 0.98 0.00 0.00 173.24 174.82 1kj2 s VAL 247 N -3.06 0.03 -0.23 5.02 0.11 -0.14 -0.91 120.40 121.22 1kj2 s VAL 247 Ca 0.22 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.90 1kj2 s VAL 247 Cb 0.01 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 1kj2 s VAL 247 CO 0.06 -0.14 0.17 -0.69 -3.33 0.00 0.00 175.10 171.16 1kj2 s VAL 248 N -0.60 5.36 0.13 2.04 1.01 -1.26 -0.56 120.40 126.52 1kj2 s VAL 248 Ca -0.07 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1kj2 s VAL 248 Cb -0.04 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1kj2 s VAL 248 CO 0.02 0.36 -0.08 0.68 0.00 0.00 0.00 175.10 176.08 1kj2 s VAL 249 N 0.88 0.98 0.13 2.92 -7.23 0.40 -4.96 120.40 113.53 1kj2 s VAL 249 Ca 0.08 -2.01 -0.33 0.00 -1.81 0.00 0.00 61.98 57.91 1kj2 s VAL 249 Cb -0.13 -1.80 -0.13 0.00 0.56 0.00 0.00 36.38 34.88 1kj2 s VAL 249 CO 0.03 -0.78 1.66 -2.65 -0.31 0.00 0.00 175.10 173.05 1kj2 n PRO 250 N -0.15 2.30 -1.70 4.82 -0.02 -1.26 -0.66 135.00 138.33 1kj2 n PRO 250 Ca -0.11 0.83 -0.44 0.00 -2.02 0.00 0.00 63.50 61.77 1kj2 n PRO 250 Cb 0.61 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1kj2 n PRO 250 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1kj2 n LEU 251 N 4.08 3.66 0.00 2.45 7.94 -1.03 -0.76 117.00 133.33 1kj2 n LEU 251 Ca 0.18 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 1kj2 n LEU 251 Cb 0.30 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.74 1kj2 n LEU 251 CO 0.65 -0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 1kj2 n GLY 252 N 3.25 1.50 0.92 -3.96 0.00 -1.26 -4.86 105.19 100.78 1kj2 n GLY 252 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1kj2 n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kj2 n LYS 253 N -2.00 3.07 0.31 1.61 4.76 0.06 -4.60 118.16 121.37 1kj2 n LYS 253 Ca 0.00 -2.51 0.18 0.00 -2.87 0.00 0.00 58.31 53.11 1kj2 n LYS 253 Cb 0.00 -1.61 0.99 0.00 -1.84 0.00 0.00 35.03 32.57 1kj2 n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1kj2 h GLU 254 N 2.35 0.00 0.11 1.97 3.07 -1.89 -2.52 114.58 117.67 1kj2 h GLU 254 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1kj2 h GLU 254 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1kj2 h GLU 254 CO 0.13 0.00 -0.05 1.96 -1.40 0.00 0.00 179.01 179.64 1kj2 h GLN 255 N 0.00 -0.15 -1.40 2.33 1.08 -1.81 -3.20 115.11 111.96 1kj2 h GLN 255 Ca 0.00 0.01 0.41 0.00 -1.45 0.00 0.00 58.65 57.62 1kj2 h GLN 255 Cb 0.23 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.62 1kj2 h GLN 255 CO 0.00 0.13 0.98 1.88 -0.95 0.00 0.00 178.83 180.87 1kj2 h TYR 256 N -0.42 0.18 -3.23 2.96 -1.99 -1.82 -3.42 116.97 109.22 1kj2 h TYR 256 Ca -0.02 0.01 -0.57 0.00 2.00 0.00 0.00 58.73 60.15 1kj2 h TYR 256 Cb 0.35 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 1kj2 h TYR 256 CO 0.01 -0.03 -0.07 0.71 -0.00 0.00 0.00 178.16 178.78 1kj2 s TYR 257 N -5.06 3.74 -0.03 4.88 1.51 -1.21 -3.58 117.35 117.61 1kj2 s TYR 257 Ca -0.06 1.17 0.02 0.00 -1.01 0.00 0.00 57.07 57.19 1kj2 s TYR 257 Cb 0.26 -2.43 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 1kj2 s TYR 257 CO 0.83 0.55 -0.08 0.95 -1.11 0.00 0.00 175.55 176.69 1kj2 s THR 258 N -1.21 0.72 -0.10 -0.71 -4.23 -0.16 -4.51 115.64 105.45 1kj2 s THR 258 Ca 0.31 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1kj2 s THR 258 Cb -0.18 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 1kj2 s THR 258 CO 0.18 0.24 0.17 0.00 -0.54 0.00 0.00 174.62 174.67 1kj2 s HIS 260 N -1.07 1.99 -0.19 0.00 3.76 0.11 0.10 115.29 119.98 1kj2 s HIS 260 Ca 0.17 -0.81 -0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1kj2 s HIS 260 Cb -0.12 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1kj2 s HIS 260 CO 0.06 -0.37 -0.13 0.08 -0.85 0.00 0.00 174.74 173.53 1kj2 s VAL 261 N 0.61 2.68 -0.23 -0.90 1.01 -0.40 -1.48 120.40 121.69 1kj2 s VAL 261 Ca -0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1kj2 s VAL 261 Cb -0.16 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1kj2 s VAL 261 CO 0.05 0.49 -0.07 -0.31 0.00 0.00 0.00 175.10 175.26 1kj2 s TYR 262 N 1.27 2.99 -0.09 5.22 2.02 -0.29 -1.65 117.35 126.82 1kj2 s TYR 262 Ca 0.03 -1.33 -0.08 0.00 -0.37 0.00 0.00 57.07 55.33 1kj2 s TYR 262 Cb -0.14 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1kj2 s TYR 262 CO -0.07 -0.67 0.23 -1.58 -1.57 0.00 0.00 175.55 171.89 1kj2 s HIS 263 N 1.38 -0.26 0.50 2.71 2.46 -1.26 -2.27 115.29 118.55 1kj2 s HIS 263 Ca 0.03 0.63 0.40 0.00 0.47 0.00 0.00 55.06 56.59 1kj2 s HIS 263 Cb -0.15 0.08 2.19 0.00 -0.13 0.00 0.00 32.58 34.57 1kj2 s HIS 263 CO -0.05 -0.13 2.24 -0.56 -2.47 0.00 0.00 174.74 173.77 1kj2 h GLN 264 N 5.94 0.00 -0.01 2.88 3.07 -1.96 -1.96 115.11 123.07 1kj2 h GLN 264 Ca -0.27 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.28 1kj2 h GLN 264 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 1kj2 h GLN 264 CO 0.37 0.00 -0.82 0.78 0.09 0.00 0.00 178.83 179.25 1kj2 h GLY 265 N 0.05 0.21 -2.68 0.06 0.00 -1.89 -3.45 103.07 95.37 1kj2 h GLY 265 Ca 0.00 -0.35 -0.49 0.00 0.00 0.00 0.00 47.33 46.49 1kj2 h GLY 265 CO 0.00 0.31 0.43 1.08 0.00 0.00 0.00 176.54 178.36 1kj2 s LEU 266 N -7.51 4.07 0.31 3.11 1.43 -0.74 -4.71 118.68 114.63 1kj2 s LEU 266 Ca -0.03 2.12 0.06 0.00 -1.03 0.00 0.00 54.13 55.25 1kj2 s LEU 266 Cb 0.11 -4.24 0.51 0.00 0.03 0.00 0.00 46.19 42.60 1kj2 s LEU 266 CO 0.82 -0.67 1.76 1.55 0.23 0.00 0.00 176.35 180.04 1kj2 h PRO 267 N 2.25 0.34 -2.98 1.29 0.13 -1.88 -3.46 132.00 127.70 1kj2 h PRO 267 Ca -0.49 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.49 1kj2 h PRO 267 Cb 1.23 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1kj2 h PRO 267 CO 0.61 0.59 0.15 -1.83 -0.23 0.00 0.00 178.00 177.30 1kj2 s GLU 268 N -4.44 1.22 0.41 0.86 -1.05 -1.26 -5.16 118.70 109.28 1kj2 s GLU 268 Ca -0.06 -0.44 -0.25 0.00 -0.15 0.00 0.00 54.97 54.07 1kj2 s GLU 268 Cb 0.14 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 34.28 1kj2 s GLU 268 CO 0.77 -0.51 1.12 -2.30 0.95 0.00 0.00 175.26 175.29 1kj2 n PRO 269 N -0.22 1.58 -3.35 -4.83 -0.02 -1.26 -4.96 135.00 121.94 1kj2 n PRO 269 Ca -0.17 0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 61.49 1kj2 n PRO 269 Cb 0.64 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1kj2 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1kj2 s LEU 270 N -0.93 4.47 -0.14 2.45 1.43 -0.66 -4.92 118.68 120.39 1kj2 s LEU 270 Ca 0.62 1.10 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1kj2 s LEU 270 Cb -0.55 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 1kj2 s LEU 270 CO 0.57 0.25 -0.17 -0.89 0.23 0.00 0.00 176.35 176.35 1kj2 s THR 271 N -0.84 2.57 0.19 5.49 2.01 -1.26 -1.28 115.64 122.53 1kj2 s THR 271 Ca 0.27 -0.81 0.11 0.00 0.31 0.00 0.00 61.69 61.57 1kj2 s THR 271 Cb -0.18 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1kj2 s THR 271 CO 0.16 0.53 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.62 1kj2 s LEU 272 N 0.70 2.47 0.20 4.42 1.43 0.11 -4.94 118.68 123.08 1kj2 s LEU 272 Ca -0.08 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 1kj2 s LEU 272 Cb -0.16 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1kj2 s LEU 272 CO 0.01 0.12 0.38 -0.60 0.23 0.00 0.00 176.35 176.50 1kj2 s ARG 273 N -2.64 1.31 -0.18 1.70 3.52 -1.26 -0.49 118.95 120.91 1kj2 s ARG 273 Ca 0.21 -1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 54.64 1kj2 s ARG 273 Cb -0.08 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1kj2 s ARG 273 CO 0.10 -0.52 -0.13 -0.46 -0.81 0.00 0.00 175.30 173.49 1kj2 s TRP 274 N -3.97 2.84 -0.28 5.12 -0.11 -1.26 -4.80 118.94 116.48 1kj2 s TRP 274 Ca 0.18 -1.17 -0.08 0.00 1.22 0.00 0.00 56.10 56.25 1kj2 s TRP 274 Cb 0.01 -1.97 -0.01 0.00 -1.50 0.00 0.00 33.47 30.00 1kj2 s TRP 274 CO 0.03 -0.59 0.09 -1.21 -4.62 0.00 0.00 176.95 170.65 1kj2 s GLU 275 N 1.17 3.35 0.53 5.86 0.41 -1.26 -4.39 118.70 124.37 1kj2 s GLU 275 Ca 0.02 -0.69 -0.17 0.00 -0.41 0.00 0.00 54.97 53.72 1kj2 s GLU 275 Cb -0.14 -3.39 -0.07 0.00 -1.78 0.00 0.00 34.13 28.75 1kj2 s GLU 275 CO -0.05 -0.34 1.01 -1.25 -0.49 0.00 0.00 175.26 174.13 1kj2 s PRO 276 N 1.57 3.79 0.00 0.39 0.04 -1.26 -5.19 135.00 134.34 1kj2 s PRO 276 Ca 0.04 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1kj2 s PRO 276 Cb -0.16 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1kj2 s PRO 276 CO 0.04 -0.41 0.13 -2.30 0.04 0.00 0.00 177.00 174.49