#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 n GLN 2 N 0.00 -2.06 -1.72 -0.52 1.13 -1.26 -4.97 117.38 107.99 1jj2 n GLN 2 Ca 0.00 1.85 -0.37 0.00 -1.94 0.00 0.00 57.00 56.53 1jj2 n GLN 2 Cb 0.00 -3.42 0.06 0.00 0.11 0.00 0.00 30.24 26.99 1jj2 n GLN 2 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1jj2 n PRO 3 N 0.49 1.20 -1.22 -1.09 -0.02 -1.26 -4.99 135.00 128.11 1jj2 n PRO 3 Ca -0.04 0.46 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 1jj2 n PRO 3 Cb 0.06 -2.49 0.18 0.00 -0.02 0.00 0.00 33.50 31.23 1jj2 n PRO 3 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1jj2 s SER 4 N -1.27 2.55 0.00 2.55 0.01 -1.26 -5.08 113.70 111.20 1jj2 s SER 4 Ca 0.80 1.09 0.00 0.00 1.31 0.00 0.00 55.95 59.14 1jj2 s SER 4 Cb -0.39 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1jj2 s SER 4 CO 0.43 -3.16 0.00 -1.14 0.41 0.00 0.00 173.24 169.77 1jj2 n ARG 5 N -4.18 0.00 -1.68 12.44 0.63 -1.26 -5.15 116.66 117.45 1jj2 n ARG 5 Ca 0.06 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.60 1jj2 n ARG 5 Cb 0.58 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.53 1jj2 n ARG 5 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1jj2 n PRO 6 N -0.03 1.38 -0.71 -0.14 -0.02 -1.26 -4.96 135.00 129.26 1jj2 n PRO 6 Ca 0.00 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 1jj2 n PRO 6 Cb 0.00 -2.35 0.21 0.00 -0.02 0.00 0.00 33.50 31.33 1jj2 n PRO 6 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jj2 s ARG 7 N -2.69 0.04 -0.48 -0.52 1.04 -1.26 -4.92 118.95 110.16 1jj2 s ARG 7 Ca 0.71 1.05 -0.23 0.00 -1.04 0.00 0.00 55.73 56.23 1jj2 s ARG 7 Cb -0.44 -1.65 0.03 0.00 -2.04 0.00 0.00 34.95 30.85 1jj2 s ARG 7 CO 0.50 -3.14 0.80 0.15 -0.04 0.00 0.00 175.30 173.57 1jj2 s LYS 8 N -4.60 3.36 0.00 3.89 -0.14 -1.26 -4.89 119.74 116.09 1jj2 s LYS 8 Ca 0.67 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 55.05 1jj2 s LYS 8 Cb -0.23 -3.98 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1jj2 s LYS 8 CO 0.61 -1.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.40 1jj2 n GLY 9 N 5.04 -1.53 3.82 -3.33 0.00 -1.14 -4.83 105.19 103.23 1jj2 n GLY 9 Ca 0.01 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1jj2 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jj2 s SER 10 N -3.15 6.96 0.00 1.61 0.15 -1.26 -4.95 113.70 113.06 1jj2 s SER 10 Ca 0.00 1.54 0.22 0.00 0.70 0.00 0.00 55.95 58.41 1jj2 s SER 10 Cb 0.00 -2.47 0.61 0.00 -1.71 0.00 0.00 66.02 62.45 1jj2 s SER 10 CO 0.00 -0.21 1.51 0.18 1.20 0.00 0.00 173.24 175.92 1jj2 n LEU 11 N -0.17 3.75 -0.94 3.45 4.32 -1.26 -4.46 117.00 121.69 1jj2 n LEU 11 Ca 0.04 -1.85 0.12 0.00 -0.02 0.00 0.00 56.01 54.29 1jj2 n LEU 11 Cb 0.53 -0.45 0.24 0.00 -1.62 0.00 0.00 43.42 42.12 1jj2 n LEU 11 CO 0.40 0.93 0.71 0.61 -1.22 0.00 0.00 177.39 178.82 1jj2 n GLY 12 N 1.62 1.15 1.10 -0.72 0.00 -1.26 -4.30 105.19 102.78 1jj2 n GLY 12 Ca 0.23 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 1jj2 n GLY 12 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jj2 n PHE 13 N 1.13 0.66 -4.10 1.61 3.01 -1.26 -5.06 117.46 113.44 1jj2 n PHE 13 Ca 0.18 -1.57 -0.27 0.00 1.01 0.00 0.00 57.45 56.80 1jj2 n PHE 13 Cb 0.53 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.70 1jj2 n PHE 13 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1jj2 s GLY 14 N -3.20 2.47 0.56 1.37 0.00 -1.26 -4.20 107.32 103.05 1jj2 s GLY 14 Ca 0.40 -1.40 -0.19 0.00 0.00 0.00 0.00 44.72 43.53 1jj2 s GLY 14 CO -0.06 -1.96 1.16 2.56 0.00 0.00 0.00 173.10 174.80 1jj2 s PRO 15 N -4.08 3.22 -1.18 2.90 0.04 -1.26 -5.02 135.00 129.61 1jj2 s PRO 15 Ca 0.32 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 1jj2 s PRO 15 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1jj2 s PRO 15 CO 0.19 -0.98 2.11 0.54 0.04 0.00 0.00 177.00 178.90 1jj2 n ARG 16 N -1.39 2.31 -4.12 4.56 3.00 -1.26 -4.90 116.66 114.86 1jj2 n ARG 16 Ca 0.12 -2.30 -0.26 0.00 -0.01 0.00 0.00 57.85 55.41 1jj2 n ARG 16 Cb 0.50 -3.14 -0.06 0.00 0.00 0.00 0.00 32.46 29.77 1jj2 n ARG 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1jj2 s LYS 17 N 3.93 2.24 0.24 5.56 -2.85 -1.26 -4.32 119.74 123.27 1jj2 s LYS 17 Ca 0.51 -1.94 -0.30 0.00 -1.00 0.00 0.00 55.97 53.24 1jj2 s LYS 17 Cb 0.14 -1.97 -0.09 0.00 -2.06 0.00 0.00 37.83 33.84 1jj2 s LYS 17 CO -0.01 -0.27 1.34 1.03 0.10 0.00 0.00 175.35 177.55 1jj2 s ARG 18 N -4.00 4.35 0.38 1.78 0.52 -1.26 -4.69 118.95 116.04 1jj2 s ARG 18 Ca 0.35 2.15 -0.27 0.00 -0.52 0.00 0.00 55.73 57.44 1jj2 s ARG 18 Cb 0.02 -3.15 -0.10 0.00 0.52 0.00 0.00 34.95 32.24 1jj2 s ARG 18 CO 0.20 -0.28 1.38 0.45 0.02 0.00 0.00 175.30 177.07 1jj2 s SER 19 N 0.19 6.38 0.20 0.23 0.15 -0.66 -4.95 113.70 115.24 1jj2 s SER 19 Ca 0.56 2.83 -0.02 0.00 0.70 0.00 0.00 55.95 60.03 1jj2 s SER 19 Cb -0.38 -2.65 0.15 0.00 -1.71 0.00 0.00 66.02 61.42 1jj2 s SER 19 CO 0.42 -0.82 1.52 0.74 1.20 0.00 0.00 173.24 176.30 1jj2 h THR 20 N 2.76 1.33 -3.69 6.45 2.02 -1.92 -3.44 112.91 116.42 1jj2 h THR 20 Ca -0.50 -1.81 -0.58 0.00 0.77 0.00 0.00 66.41 64.29 1jj2 h THR 20 Cb 1.24 1.80 -0.32 0.00 -1.74 0.00 0.00 68.15 69.13 1jj2 h THR 20 CO 0.64 0.56 -0.84 -0.44 0.37 0.00 0.00 175.52 175.80 1jj2 s SER 21 N -6.91 2.28 0.46 4.18 0.01 -1.26 -4.99 113.70 107.47 1jj2 s SER 21 Ca -0.07 -0.38 0.26 0.00 1.31 0.00 0.00 55.95 57.07 1jj2 s SER 21 Cb 0.11 -0.81 0.95 0.00 0.21 0.00 0.00 66.02 66.48 1jj2 s SER 21 CO 0.83 0.13 1.83 -0.08 0.41 0.00 0.00 173.24 176.36 1jj2 h GLU 22 N 6.50 0.00 -5.59 12.44 4.81 -2.01 -3.39 114.58 127.34 1jj2 h GLU 22 Ca -0.30 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.32 1jj2 h GLU 22 Cb 1.19 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.46 1jj2 h GLU 22 CO 0.48 0.16 0.24 0.99 -0.73 0.00 0.00 179.01 180.14 1jj2 s THR 23 N -3.58 4.92 0.81 0.32 2.01 -1.26 -4.45 115.64 114.41 1jj2 s THR 23 Ca 0.01 1.14 -0.14 0.00 0.31 0.00 0.00 61.69 63.02 1jj2 s THR 23 Cb 0.09 -4.01 0.06 0.00 0.01 0.00 0.00 72.50 68.65 1jj2 s THR 23 CO 0.62 -0.07 1.00 -2.65 -0.69 0.00 0.00 174.62 172.83 1jj2 n PRO 24 N 5.87 0.14 -3.69 4.92 -0.02 -1.26 -5.04 135.00 135.92 1jj2 n PRO 24 Ca 0.01 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 1jj2 n PRO 24 Cb 0.49 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 1jj2 n PRO 24 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jj2 s ARG 25 N -3.84 0.58 0.39 -0.52 1.81 -1.26 -5.02 118.95 111.08 1jj2 s ARG 25 Ca 0.70 -0.71 -0.28 0.00 -1.72 0.00 0.00 55.73 53.73 1jj2 s ARG 25 Cb -0.29 -1.87 -0.11 0.00 -0.45 0.00 0.00 34.95 32.23 1jj2 s ARG 25 CO 0.54 -0.86 1.49 1.19 -0.68 0.00 0.00 175.30 176.98 1jj2 n PHE 26 N 5.01 3.01 -0.28 -0.53 3.01 -1.26 -4.90 117.46 121.51 1jj2 n PHE 26 Ca -0.06 0.44 0.07 0.00 1.01 0.00 0.00 57.45 58.91 1jj2 n PHE 26 Cb 0.44 -2.53 0.19 0.00 -0.01 0.00 0.00 39.48 37.56 1jj2 n PHE 26 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1jj2 n ASN 27 N 0.37 3.18 -3.65 4.37 2.04 -1.26 -4.98 115.26 115.33 1jj2 n ASN 27 Ca 0.01 -2.11 -0.15 0.00 -0.44 0.00 0.00 54.58 51.90 1jj2 n ASN 27 Cb 0.39 -0.30 -0.07 0.00 -2.53 0.00 0.00 39.78 37.27 1jj2 n ASN 27 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1jj2 s SER 28 N -1.08 -0.39 0.14 0.53 0.01 -1.26 -5.18 113.70 106.47 1jj2 s SER 28 Ca 0.28 0.33 0.06 0.00 1.31 0.00 0.00 55.95 57.93 1jj2 s SER 28 Cb 0.16 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 1jj2 s SER 28 CO 0.17 -0.54 -0.13 0.26 0.41 0.00 0.00 173.24 173.42 1jj2 s TRP 29 N -1.41 1.38 1.21 2.43 0.52 -1.26 -5.09 118.94 116.72 1jj2 s TRP 29 Ca -0.12 -0.63 -0.14 0.00 0.02 0.00 0.00 56.10 55.24 1jj2 s TRP 29 Cb -0.03 -0.70 0.30 0.00 -1.15 0.00 0.00 33.47 31.89 1jj2 s TRP 29 CO 0.06 0.15 1.01 -2.14 0.02 0.00 0.00 176.95 176.05 1jj2 s PRO 30 N -3.20 -1.25 0.31 4.98 0.02 -1.26 -4.99 135.00 129.61 1jj2 s PRO 30 Ca 0.14 0.74 -0.13 0.00 0.02 0.00 0.00 61.00 61.77 1jj2 s PRO 30 Cb -0.02 -1.52 -0.08 0.00 0.02 0.00 0.00 34.50 32.90 1jj2 s PRO 30 CO 0.03 -3.92 0.70 -1.54 -0.33 0.00 0.00 177.00 171.94 1jj2 s SER 31 N -2.55 6.70 -1.20 2.53 1.04 -1.26 -4.98 113.70 113.98 1jj2 s SER 31 Ca 0.69 1.17 -0.20 0.00 0.48 0.00 0.00 55.95 58.09 1jj2 s SER 31 Cb -0.24 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1jj2 s SER 31 CO 0.65 -0.21 1.91 0.47 0.98 0.00 0.00 173.24 177.04 1jj2 n ASP 32 N -0.47 3.76 0.00 7.02 8.00 -1.26 -4.73 116.55 128.87 1jj2 n ASP 32 Ca 0.03 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1jj2 n ASP 32 Cb 0.53 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 1jj2 n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jj2 n ASP 33 N 9.93 0.00 -3.21 -2.24 -0.08 -1.26 -4.87 116.55 114.82 1jj2 n ASP 33 Ca 0.48 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1jj2 n ASP 33 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1jj2 n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jj2 n GLY 34 N 2.93 -2.58 3.77 0.27 0.00 -1.26 -4.59 105.19 103.72 1jj2 n GLY 34 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1jj2 n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jj2 s GLN 35 N 0.00 2.42 0.39 1.61 -0.21 -1.26 -2.98 119.66 119.63 1jj2 s GLN 35 Ca 0.00 1.24 -0.26 0.00 0.02 0.00 0.00 55.36 56.36 1jj2 s GLN 35 Cb 0.00 -1.91 -0.11 0.00 1.00 0.00 0.00 33.01 31.99 1jj2 s GLN 35 CO 0.00 -1.52 1.28 -2.30 -2.12 0.00 0.00 175.29 170.62 1jj2 n PRO 36 N -3.17 2.01 -3.63 2.91 -0.02 -1.26 -4.48 135.00 127.35 1jj2 n PRO 36 Ca 0.09 0.71 -0.03 0.00 -2.02 0.00 0.00 63.50 62.26 1jj2 n PRO 36 Cb 0.53 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1jj2 n PRO 36 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jj2 s GLY 37 N -0.45 0.04 0.30 -1.23 0.00 -0.02 -4.91 107.32 101.06 1jj2 s GLY 37 Ca 0.59 2.72 -0.29 0.00 0.00 0.00 0.00 44.72 47.73 1jj2 s GLY 37 CO 0.60 1.09 1.48 0.14 0.00 0.00 0.00 173.10 176.40 1jj2 s VAL 38 N -1.05 2.36 -0.66 1.40 1.01 -1.26 -2.41 120.40 119.79 1jj2 s VAL 38 Ca 0.08 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1jj2 s VAL 38 Cb -0.01 -3.21 0.41 0.00 0.00 0.00 0.00 36.38 33.57 1jj2 s VAL 38 CO -0.07 0.06 2.05 0.00 0.00 0.00 0.00 175.10 177.14 1jj2 n GLN 39 N 1.64 2.61 0.00 2.72 6.02 -0.06 -4.91 117.38 125.40 1jj2 n GLN 39 Ca 0.05 -3.14 0.00 0.00 -0.01 0.00 0.00 57.00 53.90 1jj2 n GLN 39 Cb 0.39 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.43 1jj2 n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jj2 n GLY 40 N -0.72 0.95 3.85 1.08 0.00 -1.26 -4.34 105.19 104.74 1jj2 n GLY 40 Ca 0.59 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1jj2 n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jj2 s PHE 41 N -2.00 -0.16 0.11 1.61 5.36 -0.59 -4.98 117.98 117.33 1jj2 s PHE 41 Ca 0.00 -0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 55.67 1jj2 s PHE 41 Cb 0.00 0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 43.35 1jj2 s PHE 41 CO 0.00 -1.22 0.01 0.00 -1.46 0.00 0.00 175.22 172.55 1jj2 s ALA 42 N -3.73 0.87 0.33 11.12 0.00 -1.26 0.43 121.76 129.52 1jj2 s ALA 42 Ca 0.12 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 1jj2 s ALA 42 Cb -0.05 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.70 1jj2 s ALA 42 CO 0.07 -0.40 0.87 0.20 0.00 0.00 0.00 175.76 176.51 1jj2 s GLY 43 N -3.04 0.33 -0.12 0.00 0.00 -0.71 -4.68 107.32 99.10 1jj2 s GLY 43 Ca 0.18 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1jj2 s GLY 43 CO -0.02 0.62 -0.20 -0.19 0.00 0.00 0.00 173.10 173.31 1jj2 s TYR 44 N -2.12 2.66 0.39 1.90 1.51 -0.08 -0.81 117.35 120.80 1jj2 s TYR 44 Ca 0.18 -1.03 -0.27 0.00 -1.01 0.00 0.00 57.07 54.94 1jj2 s TYR 44 Cb -0.04 -1.78 -0.10 0.00 -0.11 0.00 0.00 41.96 39.92 1jj2 s TYR 44 CO 0.10 -0.43 1.43 0.21 -1.11 0.00 0.00 175.55 175.76 1jj2 s LYS 45 N 0.50 4.03 0.00 -0.62 2.20 -0.80 -1.14 119.74 123.92 1jj2 s LYS 45 Ca -0.13 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1jj2 s LYS 45 Cb -0.17 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1jj2 s LYS 45 CO 0.05 -0.55 0.00 0.00 -0.36 0.00 0.00 175.35 174.49 1jj2 n ALA 46 N 0.32 2.69 0.00 3.13 0.00 -0.51 -0.28 120.51 125.87 1jj2 n ALA 46 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1jj2 n ALA 46 Cb 0.40 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1jj2 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 47 N 3.10 -0.90 3.19 0.00 0.00 -1.18 -4.76 105.19 104.65 1jj2 n GLY 47 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 1jj2 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jj2 s MET 48 N -1.48 0.87 0.37 1.61 -1.94 -1.26 0.24 119.30 117.71 1jj2 s MET 48 Ca 0.00 -1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 52.77 1jj2 s MET 48 Cb 0.00 -0.71 0.04 0.00 2.01 0.00 0.00 34.83 36.18 1jj2 s MET 48 CO 0.00 0.13 0.68 0.25 -0.01 0.00 0.00 175.02 176.07 1jj2 n THR 49 N 0.79 0.00 -4.48 2.05 -2.24 -0.78 -4.96 114.28 104.66 1jj2 n THR 49 Ca -0.18 -1.19 -0.23 0.00 -2.27 0.00 0.00 64.05 60.18 1jj2 n THR 49 Cb 0.56 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 1jj2 n THR 49 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1jj2 s HIS 50 N -2.58 2.18 0.03 4.78 -3.43 -1.26 -0.79 115.29 114.22 1jj2 s HIS 50 Ca 0.19 -0.55 0.01 0.00 -0.80 0.00 0.00 55.06 53.90 1jj2 s HIS 50 Cb -0.04 -1.19 -0.02 0.00 -1.43 0.00 0.00 32.58 29.90 1jj2 s HIS 50 CO 0.14 0.48 -0.04 0.54 -2.00 0.00 0.00 174.74 173.86 1jj2 s VAL 51 N -2.77 0.24 -0.20 -5.38 0.11 -0.19 -1.72 120.40 110.49 1jj2 s VAL 51 Ca 0.30 -1.02 -0.12 0.00 -2.93 0.00 0.00 61.98 58.21 1jj2 s VAL 51 Cb 0.02 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 1jj2 s VAL 51 CO 0.14 -0.50 0.22 -0.69 -3.33 0.00 0.00 175.10 170.93 1jj2 s VAL 52 N -1.61 5.34 0.28 2.04 1.01 0.21 -0.54 120.40 127.14 1jj2 s VAL 52 Ca -0.13 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.31 1jj2 s VAL 52 Cb -0.09 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1jj2 s VAL 52 CO -0.01 0.37 -0.16 -0.76 0.00 0.00 0.00 175.10 174.54 1jj2 s LEU 53 N 0.71 2.61 -0.23 3.92 1.02 0.16 -1.13 118.68 125.74 1jj2 s LEU 53 Ca 0.12 -1.08 -0.16 0.00 0.02 0.00 0.00 54.13 53.02 1jj2 s LEU 53 Cb -0.13 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.06 1jj2 s LEU 53 CO 0.03 -0.07 0.43 -0.69 0.02 0.00 0.00 176.35 176.07 1jj2 s VAL 54 N -2.64 5.16 -0.37 -1.59 1.01 -0.92 -0.80 120.40 120.25 1jj2 s VAL 54 Ca 0.29 0.74 -0.39 0.00 0.00 0.00 0.00 61.98 62.62 1jj2 s VAL 54 Cb -0.02 -3.76 -0.15 0.00 0.00 0.00 0.00 36.38 32.45 1jj2 s VAL 54 CO 0.14 0.19 2.00 -3.20 0.00 0.00 0.00 175.10 174.22 1jj2 n ASN 55 N 4.92 1.88 0.03 3.32 2.85 0.89 -4.67 115.26 124.48 1jj2 n ASN 55 Ca -0.07 0.74 0.03 0.00 -0.11 0.00 0.00 54.58 55.18 1jj2 n ASN 55 Cb 0.51 -1.12 -0.08 0.00 1.24 0.00 0.00 39.78 40.32 1jj2 n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1jj2 n ASP 56 N 7.49 0.66 -4.62 1.20 -0.08 -1.26 -0.34 116.55 119.60 1jj2 n ASP 56 Ca 0.39 0.28 -0.43 0.00 -1.51 0.00 0.00 54.79 53.52 1jj2 n ASP 56 Cb 0.12 0.56 -0.03 0.00 2.34 0.00 0.00 41.12 44.11 1jj2 n ASP 56 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1jj2 s GLU 57 N -3.08 3.56 0.57 -0.67 2.12 -1.26 -4.88 118.70 115.06 1jj2 s GLU 57 Ca -0.04 2.16 0.38 0.00 0.36 0.00 0.00 54.97 57.83 1jj2 s GLU 57 Cb 0.09 -4.26 1.86 0.00 0.26 0.00 0.00 34.13 32.09 1jj2 s GLU 57 CO 0.82 -1.62 2.13 -1.00 -0.54 0.00 0.00 175.26 175.06 1jj2 h PRO 58 N 12.97 0.00 -0.03 4.30 0.13 -1.99 -2.37 132.00 145.00 1jj2 h PRO 58 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1jj2 h PRO 58 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1jj2 h PRO 58 CO 0.96 0.00 -0.01 0.09 -0.23 0.00 0.00 178.00 178.81 1jj2 n ASN 59 N -2.96 2.90 -4.72 1.44 3.02 -1.26 -4.95 115.26 108.74 1jj2 n ASN 59 Ca -0.01 -1.95 -0.40 0.00 -0.03 0.00 0.00 54.58 52.19 1jj2 n ASN 59 Cb 0.16 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 1jj2 n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1jj2 s SER 60 N -1.94 7.01 0.00 6.41 0.15 -0.89 -4.90 113.70 119.54 1jj2 s SER 60 Ca 0.27 1.21 0.03 0.00 0.70 0.00 0.00 55.95 58.16 1jj2 s SER 60 Cb 0.19 -2.42 0.16 0.00 -1.71 0.00 0.00 66.02 62.24 1jj2 s SER 60 CO 0.30 -0.10 0.88 -2.65 1.20 0.00 0.00 173.24 172.86 1jj2 n PRO 61 N 3.67 0.05 -0.06 5.44 -0.02 -1.26 -0.41 135.00 142.41 1jj2 n PRO 61 Ca -0.01 0.22 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1jj2 n PRO 61 Cb 0.51 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.57 1jj2 n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jj2 n ARG 62 N -1.24 1.41 -1.66 -0.52 1.74 -1.26 -5.03 116.66 110.09 1jj2 n ARG 62 Ca 0.02 -1.44 -0.52 0.00 -0.77 0.00 0.00 57.85 55.14 1jj2 n ARG 62 Cb 0.02 -1.19 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1jj2 n ARG 62 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1jj2 n GLU 63 N 0.43 1.56 0.00 5.56 0.28 0.45 -0.94 120.64 127.99 1jj2 n GLU 63 Ca 0.07 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 1jj2 n GLU 63 Cb 0.30 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 30.87 1jj2 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jj2 n GLY 64 N 3.66 1.35 3.94 -1.84 0.00 0.54 -4.93 105.19 107.92 1jj2 n GLY 64 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1jj2 n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jj2 s MET 65 N -0.75 3.37 0.89 1.61 -1.94 -0.11 -4.56 119.30 117.80 1jj2 s MET 65 Ca 0.00 -0.32 -0.11 0.00 -1.71 0.00 0.00 55.69 53.55 1jj2 s MET 65 Cb 0.00 -2.60 0.12 0.00 2.01 0.00 0.00 34.83 34.36 1jj2 s MET 65 CO 0.00 -0.02 1.07 0.39 -0.01 0.00 0.00 175.02 176.45 1jj2 n GLU 66 N -1.93 -0.27 -3.52 2.03 -0.58 -1.26 -0.08 120.64 115.03 1jj2 n GLU 66 Ca -0.02 -0.01 -0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1jj2 n GLU 66 Cb 0.56 -2.33 -0.05 0.00 -0.57 0.00 0.00 31.44 29.05 1jj2 n GLU 66 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1jj2 s GLU 67 N -4.36 0.33 -0.03 3.49 2.12 0.02 -4.70 118.70 115.56 1jj2 s GLU 67 Ca 0.67 0.69 -0.27 0.00 0.36 0.00 0.00 54.97 56.43 1jj2 s GLU 67 Cb -0.25 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 1jj2 s GLU 67 CO 0.57 -0.09 0.86 0.99 -0.54 0.00 0.00 175.26 177.05 1jj2 s THR 68 N 1.91 4.94 -0.03 -1.70 2.01 -1.26 0.37 115.64 121.87 1jj2 s THR 68 Ca -0.06 1.80 0.01 0.00 0.31 0.00 0.00 61.69 63.75 1jj2 s THR 68 Cb -0.05 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1jj2 s THR 68 CO -0.16 0.19 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.22 1jj2 s VAL 69 N 0.97 0.53 0.37 3.82 1.01 0.30 -4.97 120.40 122.43 1jj2 s VAL 69 Ca 0.46 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 1jj2 s VAL 69 Cb -0.19 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.57 1jj2 s VAL 69 CO 0.23 0.20 1.10 -2.84 0.00 0.00 0.00 175.10 173.80 1jj2 s PRO 70 N 0.65 4.26 0.00 2.72 0.02 -1.26 -1.02 135.00 140.37 1jj2 s PRO 70 Ca -0.09 1.70 -0.02 0.00 0.02 0.00 0.00 61.00 62.62 1jj2 s PRO 70 Cb -0.12 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 1jj2 s PRO 70 CO 0.00 -0.10 0.04 0.08 -0.33 0.00 0.00 177.00 176.69 1jj2 s VAL 71 N -1.44 0.06 -0.22 3.83 1.01 0.03 -0.92 120.40 122.76 1jj2 s VAL 71 Ca 0.54 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1jj2 s VAL 71 Cb -0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1jj2 s VAL 71 CO 0.35 -0.27 -0.00 -0.89 0.00 0.00 0.00 175.10 174.29 1jj2 s THR 72 N -0.82 3.82 -0.18 3.92 2.01 -0.01 -1.87 115.64 122.52 1jj2 s THR 72 Ca -0.09 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 61.28 1jj2 s THR 72 Cb -0.06 -2.74 -0.00 0.00 0.01 0.00 0.00 72.50 69.71 1jj2 s THR 72 CO -0.00 0.41 0.96 -0.69 -0.69 0.00 0.00 174.62 174.61 1jj2 s VAL 73 N 1.29 4.77 -0.15 3.82 1.01 0.14 -1.60 120.40 129.69 1jj2 s VAL 73 Ca 0.04 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.94 1jj2 s VAL 73 Cb -0.15 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1jj2 s VAL 73 CO 0.01 -0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 174.24 1jj2 s ILE 74 N 2.54 1.76 -0.24 2.22 1.01 -0.39 -1.42 121.20 126.69 1jj2 s ILE 74 Ca 0.43 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 1jj2 s ILE 74 Cb -0.16 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1jj2 s ILE 74 CO 0.11 0.49 1.41 -1.61 0.00 0.00 0.00 174.94 175.35 1jj2 s GLU 75 N 1.24 3.95 -0.65 2.79 2.02 -0.29 -1.00 118.70 126.75 1jj2 s GLU 75 Ca 0.01 1.50 0.05 0.00 0.02 0.00 0.00 54.97 56.55 1jj2 s GLU 75 Cb -0.14 -3.91 0.30 0.00 0.10 0.00 0.00 34.13 30.48 1jj2 s GLU 75 CO -0.08 -1.09 0.94 0.25 0.02 0.00 0.00 175.26 175.31 1jj2 n THR 76 N 6.08 3.08 -0.78 3.63 -2.24 -0.02 -0.90 114.28 123.14 1jj2 n THR 76 Ca 0.16 -5.49 -0.29 0.00 -2.27 0.00 0.00 64.05 56.16 1jj2 n THR 76 Cb 0.46 -1.71 0.24 0.00 -2.10 0.00 0.00 70.33 67.21 1jj2 n THR 76 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1jj2 s PRO 77 N -3.11 -1.03 0.54 -0.78 0.02 -1.25 -4.55 135.00 124.84 1jj2 s PRO 77 Ca 0.44 0.45 -0.21 0.00 0.02 0.00 0.00 61.00 61.70 1jj2 s PRO 77 Cb 0.21 -1.57 -0.05 0.00 0.02 0.00 0.00 34.50 33.11 1jj2 s PRO 77 CO -0.08 -3.70 1.23 -2.14 -0.33 0.00 0.00 177.00 171.98 1jj2 s PRO 78 N -4.86 3.25 0.24 5.54 0.02 -1.26 -4.76 135.00 133.17 1jj2 s PRO 78 Ca 0.68 1.90 0.02 0.00 0.02 0.00 0.00 61.00 63.61 1jj2 s PRO 78 Cb -0.19 -2.14 0.02 0.00 0.02 0.00 0.00 34.50 32.20 1jj2 s PRO 78 CO 0.60 -1.00 0.13 -1.33 -0.33 0.00 0.00 177.00 175.07 1jj2 n MET 79 N -1.13 1.22 -3.59 5.54 2.81 -0.55 -4.42 117.12 117.01 1jj2 n MET 79 Ca 0.11 -1.56 -0.19 0.00 -1.81 0.00 0.00 57.70 54.26 1jj2 n MET 79 Cb 0.48 0.24 -0.15 0.00 -0.71 0.00 0.00 33.22 33.09 1jj2 n MET 79 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1jj2 s ARG 80 N -2.95 0.11 -0.69 0.03 0.52 -0.89 -2.22 118.95 112.87 1jj2 s ARG 80 Ca 0.10 0.33 -0.27 0.00 -0.52 0.00 0.00 55.73 55.37 1jj2 s ARG 80 Cb -0.01 -0.87 0.02 0.00 0.52 0.00 0.00 34.95 34.61 1jj2 s ARG 80 CO 0.06 -0.50 1.39 0.00 0.02 0.00 0.00 175.30 176.27 1jj2 s ALA 81 N 2.29 2.67 -2.41 2.13 0.00 -0.43 -2.69 121.76 123.33 1jj2 s ALA 81 Ca 0.04 -1.14 0.29 0.00 0.00 0.00 0.00 51.96 51.15 1jj2 s ALA 81 Cb -0.14 -4.24 1.20 0.00 0.00 0.00 0.00 23.12 19.94 1jj2 s ALA 81 CO -0.09 -3.32 1.83 0.28 0.00 0.00 0.00 175.76 174.46 1jj2 n VAL 82 N 6.59 0.00 -3.60 0.00 0.31 -0.08 -3.70 118.33 117.85 1jj2 n VAL 82 Ca 0.07 -0.21 -0.05 0.00 -0.01 0.00 0.00 64.34 64.15 1jj2 n VAL 82 Cb 0.50 0.32 -0.03 0.00 -0.91 0.00 0.00 33.84 33.72 1jj2 n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jj2 s ALA 83 N -2.00 -2.06 -0.27 3.52 0.00 -1.19 -3.56 121.76 116.21 1jj2 s ALA 83 Ca 0.40 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1jj2 s ALA 83 Cb 0.21 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.03 1jj2 s ALA 83 CO 0.34 -0.52 -0.06 -1.17 0.00 0.00 0.00 175.76 174.34 1jj2 s LEU 84 N -1.93 3.49 0.01 0.00 1.98 -0.35 -0.25 118.68 121.63 1jj2 s LEU 84 Ca 0.08 -1.20 -0.13 0.00 -2.89 0.00 0.00 54.13 49.99 1jj2 s LEU 84 Cb -0.01 -1.63 -0.06 0.00 0.66 0.00 0.00 46.19 45.16 1jj2 s LEU 84 CO -0.05 -0.19 0.39 -0.60 -1.89 0.00 0.00 176.35 174.01 1jj2 s ARG 85 N 1.21 3.84 -0.06 1.98 3.52 0.10 -1.46 118.95 128.09 1jj2 s ARG 85 Ca -0.05 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 55.91 1jj2 s ARG 85 Cb -0.19 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1jj2 s ARG 85 CO -0.04 0.66 -0.21 0.00 -0.81 0.00 0.00 175.30 174.91 1jj2 s ALA 86 N -1.16 2.35 0.13 6.12 0.00 -0.30 -2.14 121.76 126.75 1jj2 s ALA 86 Ca 0.26 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1jj2 s ALA 86 Cb -0.16 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1jj2 s ALA 86 CO 0.14 0.43 0.03 0.71 0.00 0.00 0.00 175.76 177.07 1jj2 s TYR 87 N -0.24 2.99 -0.01 0.00 1.51 -1.18 0.17 117.35 120.58 1jj2 s TYR 87 Ca -0.00 -0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.08 1jj2 s TYR 87 Cb -0.13 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 1jj2 s TYR 87 CO 0.03 0.50 -0.23 -1.83 -1.11 0.00 0.00 175.55 172.91 1jj2 s GLU 88 N -2.64 1.79 0.12 -0.62 -1.05 -0.19 0.20 118.70 116.31 1jj2 s GLU 88 Ca 0.27 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.96 1jj2 s GLU 88 Cb -0.11 -1.76 -0.06 0.00 -0.44 0.00 0.00 34.13 31.76 1jj2 s GLU 88 CO 0.20 0.48 1.05 -0.51 0.95 0.00 0.00 175.26 177.43 1jj2 s ASP 89 N -0.63 7.33 0.18 0.83 1.01 0.19 -2.40 116.67 123.19 1jj2 s ASP 89 Ca 0.09 1.94 -0.04 0.00 0.71 0.00 0.00 52.55 55.25 1jj2 s ASP 89 Cb -0.09 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 1jj2 s ASP 89 CO -0.00 -0.20 0.17 0.42 0.21 0.00 0.00 175.17 175.77 1jj2 s THR 90 N 0.12 0.04 -1.03 -1.27 -4.23 -0.74 -4.94 115.64 103.59 1jj2 s THR 90 Ca 0.50 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1jj2 s THR 90 Cb -0.27 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1jj2 s THR 90 CO 0.32 -0.17 0.97 -2.65 -0.54 0.00 0.00 174.62 172.54 1jj2 n PRO 91 N -0.23 0.00 -0.84 3.99 -0.02 -1.26 -1.34 135.00 135.31 1jj2 n PRO 91 Ca -0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1jj2 n PRO 91 Cb 0.64 -1.51 0.18 0.00 -0.02 0.00 0.00 33.50 32.79 1jj2 n PRO 91 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jj2 n TYR 92 N -1.47 0.54 -2.46 6.00 4.02 -1.26 -5.09 117.16 117.44 1jj2 n TYR 92 Ca 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 57.90 56.26 1jj2 n TYR 92 Cb 0.01 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 1jj2 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jj2 n GLY 93 N -1.06 -1.71 3.82 2.72 0.00 -0.45 -4.92 105.19 103.60 1jj2 n GLY 93 Ca 0.24 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 1jj2 n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jj2 s GLN 94 N 0.00 4.18 0.00 1.61 -0.21 -1.26 -1.80 119.66 122.18 1jj2 s GLN 94 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.17 1jj2 s GLN 94 Cb 0.00 -2.82 -0.00 0.00 1.00 0.00 0.00 33.01 31.19 1jj2 s GLN 94 CO 0.00 0.37 -0.00 1.03 -2.12 0.00 0.00 175.29 174.57 1jj2 s ARG 95 N -2.11 0.04 0.24 2.91 0.52 -1.01 -4.95 118.95 114.59 1jj2 s ARG 95 Ca 0.44 -0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 55.31 1jj2 s ARG 95 Cb -0.16 -0.03 -0.12 0.00 0.52 0.00 0.00 34.95 35.16 1jj2 s ARG 95 CO 0.20 0.01 1.65 -2.30 0.02 0.00 0.00 175.30 174.88 1jj2 n PRO 96 N 3.05 2.67 -0.03 3.54 -0.02 -1.26 -1.02 135.00 141.93 1jj2 n PRO 96 Ca -0.12 0.96 -0.02 0.00 -2.02 0.00 0.00 63.50 62.30 1jj2 n PRO 96 Cb 0.60 -2.77 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 1jj2 n PRO 96 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1jj2 n LEU 97 N 3.12 0.62 -3.92 2.45 0.00 0.44 -4.83 117.00 114.89 1jj2 n LEU 97 Ca 0.13 0.30 -0.12 0.00 0.00 0.00 0.00 56.01 56.32 1jj2 n LEU 97 Cb 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 43.42 43.16 1jj2 n LEU 97 CO 0.64 -0.47 0.39 -0.89 0.00 0.00 0.00 177.39 177.06 1jj2 s THR 98 N -1.49 0.00 0.00 1.96 2.01 -1.21 -5.00 115.64 111.92 1jj2 s THR 98 Ca -0.06 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.69 1jj2 s THR 98 Cb 0.01 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 1jj2 s THR 98 CO 0.09 0.00 0.02 -1.61 -0.69 0.00 0.00 174.62 172.44 1jj2 s GLU 99 N -2.41 0.22 -0.28 4.92 2.02 -1.26 -1.15 118.70 120.76 1jj2 s GLU 99 Ca 0.22 -0.30 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 1jj2 s GLU 99 Cb -0.03 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.31 1jj2 s GLU 99 CO 0.16 -0.04 -0.00 0.08 0.02 0.00 0.00 175.26 175.48 1jj2 s VAL 100 N -0.83 3.17 0.52 2.63 1.01 -0.53 -4.79 120.40 121.58 1jj2 s VAL 100 Ca -0.09 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1jj2 s VAL 100 Cb -0.06 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1jj2 s VAL 100 CO -0.00 0.04 0.60 0.26 0.00 0.00 0.00 175.10 175.99 1jj2 s TRP 101 N 1.33 1.87 0.00 5.22 0.52 -1.26 -1.22 118.94 125.40 1jj2 s TRP 101 Ca -0.02 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.43 1jj2 s TRP 101 Cb -0.18 -2.15 0.00 0.00 -1.15 0.00 0.00 33.47 29.98 1jj2 s TRP 101 CO -0.01 -0.72 0.00 0.25 0.02 0.00 0.00 176.95 176.49 1jj2 n THR 102 N -1.96 0.00 0.00 2.01 -2.24 -1.23 -4.82 114.28 106.04 1jj2 n THR 102 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1jj2 n THR 102 Cb 0.62 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1jj2 n THR 102 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jj2 n ASP 103 N 0.00 3.09 -4.55 3.42 8.00 -1.26 -4.98 116.55 120.26 1jj2 n ASP 103 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1jj2 n ASP 103 Cb 0.00 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 1jj2 n ASP 103 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jj2 s GLU 104 N -1.44 3.45 0.07 -1.24 2.02 -1.26 -5.02 118.70 115.30 1jj2 s GLU 104 Ca 0.00 0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.11 1jj2 s GLU 104 Cb 0.00 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 1jj2 s GLU 104 CO 0.00 -1.49 -0.18 -0.06 0.02 0.00 0.00 175.26 173.55 1jj2 s PHE 105 N 4.26 2.54 0.23 1.61 0.40 -1.26 -4.93 117.98 120.83 1jj2 s PHE 105 Ca 0.37 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.13 1jj2 s PHE 105 Cb -0.10 -1.41 -0.09 0.00 0.51 0.00 0.00 43.02 41.93 1jj2 s PHE 105 CO 0.23 0.31 1.37 -1.58 0.70 0.00 0.00 175.22 176.25 1jj2 s HIS 106 N -1.01 3.14 0.36 0.36 5.65 -1.26 -4.86 115.29 117.66 1jj2 s HIS 106 Ca 0.16 1.15 0.28 0.00 0.25 0.00 0.00 55.06 56.89 1jj2 s HIS 106 Cb -0.10 -3.70 1.19 0.00 -1.18 0.00 0.00 32.58 28.78 1jj2 s HIS 106 CO 0.07 -2.22 1.21 -1.13 -0.65 0.00 0.00 174.74 172.02 1jj2 n SER 107 N 2.37 0.13 -1.08 9.88 3.41 -1.26 -1.55 113.62 125.52 1jj2 n SER 107 Ca 0.06 1.02 -0.04 0.00 -0.26 0.00 0.00 58.87 59.64 1jj2 n SER 107 Cb 0.42 -0.50 0.15 0.00 -0.26 0.00 0.00 64.21 64.01 1jj2 n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jj2 n GLU 108 N -4.10 2.24 0.13 4.33 1.02 -1.26 -4.60 120.64 118.40 1jj2 n GLU 108 Ca 0.32 -3.57 0.13 0.00 -0.02 0.00 0.00 57.16 54.01 1jj2 n GLU 108 Cb 1.28 -1.84 0.42 0.00 -0.02 0.00 0.00 31.44 31.28 1jj2 n GLU 108 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1jj2 h LEU 109 N 1.38 0.00 -0.01 -4.62 5.85 -1.65 -3.02 115.31 113.24 1jj2 h LEU 109 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jj2 h LEU 109 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1jj2 h LEU 109 CO 0.26 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.46 1jj2 n ASP 110 N -2.36 0.01 0.05 1.25 5.75 -1.26 -1.61 116.55 118.39 1jj2 n ASP 110 Ca 0.04 -1.67 0.12 0.00 -0.01 0.00 0.00 54.79 53.28 1jj2 n ASP 110 Cb 0.39 -0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.72 1jj2 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jj2 n ARG 111 N -0.66 0.22 0.00 0.11 1.74 -1.14 -4.44 116.66 112.49 1jj2 n ARG 111 Ca 0.08 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1jj2 n ARG 111 Cb 0.04 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1jj2 n ARG 111 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1jj2 n THR 112 N -1.99 0.00 -4.05 0.55 -1.04 -1.04 -4.96 114.28 101.75 1jj2 n THR 112 Ca 0.04 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.84 1jj2 n THR 112 Cb 0.41 -1.16 -0.04 0.00 -1.82 0.00 0.00 70.33 67.72 1jj2 n THR 112 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1jj2 s LEU 113 N -5.62 3.82 -0.94 -4.42 1.43 -0.63 -5.03 118.68 107.29 1jj2 s LEU 113 Ca 0.00 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 1jj2 s LEU 113 Cb 0.00 -2.37 0.18 0.00 0.03 0.00 0.00 46.19 44.03 1jj2 s LEU 113 CO 0.00 -0.09 1.03 -1.81 0.23 0.00 0.00 176.35 175.71 1jj2 s ASP 114 N -3.88 6.78 0.22 2.29 1.01 -1.26 -4.27 116.67 117.56 1jj2 s ASP 114 Ca 0.34 -2.49 -0.31 0.00 0.71 0.00 0.00 52.55 50.80 1jj2 s ASP 114 Cb -0.08 -2.32 -0.14 0.00 1.01 0.00 0.00 42.92 41.39 1jj2 s ASP 114 CO 0.25 -0.80 1.25 0.52 0.21 0.00 0.00 175.17 176.60 1jj2 n VAL 115 N 4.66 1.13 -1.89 -1.27 0.31 -1.26 -4.89 118.33 115.12 1jj2 n VAL 115 Ca 0.22 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 1jj2 n VAL 115 Cb 0.47 -1.16 -0.03 0.00 -0.91 0.00 0.00 33.84 32.21 1jj2 n VAL 115 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1jj2 s PRO 116 N -0.63 4.19 -0.07 5.55 0.02 -1.26 -4.91 135.00 137.89 1jj2 s PRO 116 Ca 0.68 2.40 0.14 0.00 0.02 0.00 0.00 61.00 64.25 1jj2 s PRO 116 Cb -0.73 -3.25 -0.21 0.00 0.02 0.00 0.00 34.50 30.32 1jj2 s PRO 116 CO 0.53 -0.67 0.22 0.39 -0.33 0.00 0.00 177.00 177.14 1jj2 n GLU 117 N 4.38 0.98 -3.60 5.54 1.02 -1.26 -4.91 120.64 122.79 1jj2 n GLU 117 Ca 0.15 -0.08 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 1jj2 n GLU 117 Cb 0.38 -1.37 -0.16 0.00 -0.02 0.00 0.00 31.44 30.27 1jj2 n GLU 117 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jj2 s ASP 118 N -4.21 1.86 -0.01 1.62 1.01 -1.26 -5.14 116.67 110.54 1jj2 s ASP 118 Ca -0.06 -0.36 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 1jj2 s ASP 118 Cb 0.07 -0.07 -0.00 0.00 1.01 0.00 0.00 42.92 43.93 1jj2 s ASP 118 CO 0.62 -0.32 0.08 -2.28 0.21 0.00 0.00 175.17 173.48 1jj2 s HIS 119 N 2.19 0.05 -0.78 4.23 5.65 -1.26 -5.11 115.29 120.26 1jj2 s HIS 119 Ca 0.03 -0.12 -0.05 0.00 0.25 0.00 0.00 55.06 55.18 1jj2 s HIS 119 Cb -0.15 -0.06 0.20 0.00 -1.18 0.00 0.00 32.58 31.39 1jj2 s HIS 119 CO -0.08 -0.19 0.65 0.34 -0.65 0.00 0.00 174.74 174.80 1jj2 s ASP 120 N -0.99 5.86 0.20 9.88 -1.08 -1.26 -4.95 116.67 124.33 1jj2 s ASP 120 Ca -0.11 -3.16 -0.11 0.00 -0.52 0.00 0.00 52.55 48.65 1jj2 s ASP 120 Cb -0.06 -1.95 0.26 0.00 -1.46 0.00 0.00 42.92 39.70 1jj2 s ASP 120 CO 0.00 -0.34 1.72 -0.65 0.52 0.00 0.00 175.17 176.43 1jj2 h PRO 121 N 6.79 0.28 -0.27 4.34 0.11 -1.91 -2.63 132.00 138.70 1jj2 h PRO 121 Ca 0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1jj2 h PRO 121 Cb 0.92 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1jj2 h PRO 121 CO 0.78 0.19 0.14 -0.44 -0.21 0.00 0.00 178.00 178.45 1jj2 h ASP 122 N 0.29 0.35 -0.57 -2.05 5.19 -1.97 0.44 116.42 118.09 1jj2 h ASP 122 Ca 0.29 -0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.66 1jj2 h ASP 122 Cb 0.40 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 39.76 1jj2 h ASP 122 CO -0.35 0.36 0.25 0.00 -3.12 0.00 0.00 179.24 176.37 1jj2 h ALA 123 N 1.00 0.73 0.11 3.45 0.00 -1.94 0.60 119.26 123.22 1jj2 h ALA 123 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jj2 h ALA 123 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jj2 h ALA 123 CO -0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 179.25 178.98 1jj2 h ALA 124 N 1.35 -0.23 -0.35 0.00 0.00 -1.12 -0.01 119.26 118.90 1jj2 h ALA 124 Ca 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1jj2 h ALA 124 Cb 0.27 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jj2 h ALA 124 CO -0.24 -0.65 0.23 1.49 0.00 0.00 0.00 179.25 180.09 1jj2 h GLU 125 N -0.26 0.46 0.51 0.00 4.81 0.14 -1.66 114.58 118.58 1jj2 h GLU 125 Ca 0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1jj2 h GLU 125 Cb 0.26 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1jj2 h GLU 125 CO -0.04 0.30 -0.25 1.49 -0.73 0.00 0.00 179.01 179.78 1jj2 h GLU 126 N 0.47 -0.66 -1.04 1.92 4.81 0.87 -1.29 114.58 119.66 1jj2 h GLU 126 Ca 0.13 0.05 0.28 0.00 -0.13 0.00 0.00 59.36 59.68 1jj2 h GLU 126 Cb -0.04 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 29.37 1jj2 h GLU 126 CO -0.03 -0.36 0.64 0.37 -0.73 0.00 0.00 179.01 178.90 1jj2 h GLN 127 N -1.01 0.43 -0.15 1.92 4.15 -0.69 0.19 115.11 119.95 1jj2 h GLN 127 Ca -0.07 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1jj2 h GLN 127 Cb 0.61 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1jj2 h GLN 127 CO 0.12 0.28 -0.19 0.82 -1.93 0.00 0.00 178.83 177.93 1jj2 h ILE 128 N 0.44 1.35 -0.30 2.39 2.04 -1.17 -1.96 117.51 120.30 1jj2 h ILE 128 Ca 0.65 -1.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 1jj2 h ILE 128 Cb 1.49 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 1jj2 h ILE 128 CO -0.42 0.41 -0.09 0.03 0.00 0.00 0.00 178.15 178.08 1jj2 h ARG 129 N 0.01 0.49 -0.06 2.37 3.08 0.22 -0.12 114.38 120.37 1jj2 h ARG 129 Ca 0.02 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1jj2 h ARG 129 Cb 0.75 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1jj2 h ARG 129 CO 0.05 0.59 0.01 -0.44 -1.07 0.00 0.00 179.97 179.11 1jj2 h ASP 130 N 0.46 0.10 -0.48 7.04 3.32 -0.70 0.44 116.42 126.60 1jj2 h ASP 130 Ca 0.09 -0.24 0.10 0.00 0.02 0.00 0.00 57.03 57.00 1jj2 h ASP 130 Cb 0.44 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 1jj2 h ASP 130 CO 0.02 0.31 -0.07 0.00 -1.72 0.00 0.00 179.24 177.78 1jj2 h ALA 131 N 0.79 0.37 -0.45 3.45 0.00 -0.92 0.19 119.26 122.69 1jj2 h ALA 131 Ca 0.02 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jj2 h ALA 131 Cb 0.25 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1jj2 h ALA 131 CO 0.00 -0.43 0.24 1.25 0.00 0.00 0.00 179.25 180.31 1jj2 h HIS 132 N 0.04 0.59 -0.45 0.00 -0.00 -0.71 0.77 115.15 115.40 1jj2 h HIS 132 Ca 0.24 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1jj2 h HIS 132 Cb 0.36 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1jj2 h HIS 132 CO -0.37 0.42 0.18 0.93 -0.00 0.00 0.00 177.93 179.09 1jj2 h GLU 133 N 0.62 0.67 0.00 5.26 5.08 0.15 -2.13 114.58 124.23 1jj2 h GLU 133 Ca 0.16 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1jj2 h GLU 133 Cb 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1jj2 h GLU 133 CO -0.03 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 1jj2 n ALA 134 N -2.32 1.95 -2.27 3.43 0.00 -0.01 -4.92 120.51 116.36 1jj2 n ALA 134 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1jj2 n ALA 134 Cb 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1jj2 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 135 N 0.62 0.31 0.49 0.00 0.00 0.18 -4.94 105.19 101.84 1jj2 n GLY 135 Ca 0.04 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.48 1jj2 n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jj2 n ASP 136 N 0.95 2.16 -4.65 1.61 8.00 -0.84 -4.97 116.55 118.80 1jj2 n ASP 136 Ca -0.04 -1.59 -0.43 0.00 0.71 0.00 0.00 54.79 53.45 1jj2 n ASP 136 Cb 0.53 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1jj2 n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jj2 s LEU 137 N -0.94 4.20 0.60 0.64 2.96 -1.25 0.52 118.68 125.41 1jj2 s LEU 137 Ca 0.15 1.94 -0.00 0.00 -0.22 0.00 0.00 54.13 56.01 1jj2 s LEU 137 Cb 0.10 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.31 1jj2 s LEU 137 CO 0.14 -0.92 0.84 -0.83 -1.32 0.00 0.00 176.35 174.27 1jj2 s GLY 138 N 3.01 1.80 0.73 7.98 0.00 0.53 -4.73 107.32 116.64 1jj2 s GLY 138 Ca 0.67 -1.35 -0.18 0.00 0.00 0.00 0.00 44.72 43.86 1jj2 s GLY 138 CO 0.24 -1.00 -0.96 2.09 0.00 0.00 0.00 173.10 173.47 1jj2 n ASP 139 N -2.50 -2.90 -4.15 1.64 5.75 -1.26 -4.00 116.55 109.12 1jj2 n ASP 139 Ca 0.09 0.04 -0.30 0.00 -0.01 0.00 0.00 54.79 54.61 1jj2 n ASP 139 Cb 0.60 -0.42 -0.17 0.00 -1.03 0.00 0.00 41.12 40.10 1jj2 n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jj2 s LEU 140 N 5.81 1.96 0.17 -2.12 1.43 -1.26 -3.13 118.68 121.54 1jj2 s LEU 140 Ca 0.27 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1jj2 s LEU 140 Cb 0.01 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 1jj2 s LEU 140 CO 0.52 0.10 -0.11 -0.13 0.23 0.00 0.00 176.35 176.96 1jj2 s ARG 141 N 0.61 1.17 -0.10 1.70 0.52 -0.91 0.66 118.95 122.60 1jj2 s ARG 141 Ca -0.13 -1.52 0.01 0.00 -0.52 0.00 0.00 55.73 53.57 1jj2 s ARG 141 Cb -0.17 -0.79 -0.02 0.00 0.52 0.00 0.00 34.95 34.49 1jj2 s ARG 141 CO 0.04 0.10 -0.12 -0.51 0.02 0.00 0.00 175.30 174.82 1jj2 s LEU 142 N -3.23 2.78 -0.18 2.53 1.43 0.68 0.00 118.68 122.69 1jj2 s LEU 142 Ca 0.20 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1jj2 s LEU 142 Cb 0.02 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 1jj2 s LEU 142 CO 0.03 0.23 1.12 -0.63 0.23 0.00 0.00 176.35 177.33 1jj2 s ILE 143 N -0.05 4.54 0.18 -0.59 -1.09 0.66 -1.17 121.20 123.67 1jj2 s ILE 143 Ca -0.02 1.85 0.09 0.00 -2.23 0.00 0.00 60.65 60.34 1jj2 s ILE 143 Cb -0.14 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1jj2 s ILE 143 CO 0.04 -0.13 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.53 1jj2 s THR 144 N 3.09 1.94 0.10 2.92 2.01 0.76 -0.90 115.64 125.55 1jj2 s THR 144 Ca 0.49 -1.97 -0.10 0.00 0.31 0.00 0.00 61.69 60.42 1jj2 s THR 144 Cb -0.18 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1jj2 s THR 144 CO 0.11 -0.30 0.22 -1.38 -0.69 0.00 0.00 174.62 172.59 1jj2 s HIS 145 N -2.04 0.10 0.45 4.92 -3.43 -1.09 0.02 115.29 114.21 1jj2 s HIS 145 Ca 0.17 -0.51 0.07 0.00 -0.80 0.00 0.00 55.06 54.00 1jj2 s HIS 145 Cb -0.06 -0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.10 1jj2 s HIS 145 CO 0.08 -0.57 0.61 0.95 -2.00 0.00 0.00 174.74 173.80 1jj2 s THR 146 N -3.85 2.91 -0.61 -5.38 -4.23 -0.75 -2.08 115.64 101.65 1jj2 s THR 146 Ca 0.05 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.67 1jj2 s THR 146 Cb 0.04 -2.96 0.23 0.00 1.34 0.00 0.00 72.50 71.14 1jj2 s THR 146 CO -0.11 0.00 0.63 0.52 -0.54 0.00 0.00 174.62 175.12 1jj2 n VAL 147 N -1.94 1.56 -0.16 2.29 0.31 -1.26 -4.38 118.33 114.75 1jj2 n VAL 147 Ca 0.08 -4.86 0.28 0.00 -0.01 0.00 0.00 64.34 59.83 1jj2 n VAL 147 Cb 0.59 -2.07 0.72 0.00 -0.91 0.00 0.00 33.84 32.17 1jj2 n VAL 147 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1jj2 h PRO 148 N 4.52 0.00 0.00 5.55 0.11 -1.82 0.27 132.00 140.63 1jj2 h PRO 148 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jj2 h PRO 148 Cb 0.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1jj2 h PRO 148 CO 0.73 0.00 -0.01 0.22 -0.21 0.00 0.00 178.00 178.73 1jj2 h ASP 149 N 0.00 0.00 0.90 -2.05 3.58 -1.81 0.19 116.42 117.23 1jj2 h ASP 149 Ca 0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1jj2 h ASP 149 Cb 1.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1jj2 h ASP 149 CO -0.00 0.01 -0.13 0.00 -2.88 0.00 0.00 179.24 176.23 1jj2 n ALA 150 N -2.10 2.63 -3.82 -0.78 0.00 0.96 -4.50 120.51 112.91 1jj2 n ALA 150 Ca -0.02 -0.16 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 1jj2 n ALA 150 Cb 0.15 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 1jj2 n ALA 150 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jj2 s VAL 151 N -3.01 3.15 0.20 0.00 1.01 0.67 -4.99 120.40 117.44 1jj2 s VAL 151 Ca 0.13 -2.44 -0.10 0.00 0.00 0.00 0.00 61.98 59.57 1jj2 s VAL 151 Cb 0.18 -3.16 0.13 0.00 0.00 0.00 0.00 36.38 33.53 1jj2 s VAL 151 CO 0.58 -0.73 1.80 -0.65 0.00 0.00 0.00 175.10 176.10 1jj2 h PRO 152 N 7.59 0.61 0.00 2.72 0.11 -1.79 -2.50 132.00 138.73 1jj2 h PRO 152 Ca -0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1jj2 h PRO 152 Cb 1.01 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jj2 h PRO 152 CO 0.67 0.40 0.10 0.77 -0.21 0.00 0.00 178.00 179.74 1jj2 h SER 153 N 0.63 0.00 -3.75 -2.05 0.02 -1.85 -3.39 113.55 103.16 1jj2 h SER 153 Ca 0.28 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.57 1jj2 h SER 153 Cb 0.19 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.54 1jj2 h SER 153 CO -0.19 0.00 -0.52 -0.69 -1.14 0.00 0.00 176.83 174.29 1jj2 s VAL 154 N -4.13 5.06 0.27 2.27 1.01 -0.94 -4.82 120.40 119.12 1jj2 s VAL 154 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1jj2 s VAL 154 Cb 0.12 -3.52 0.25 0.00 0.00 0.00 0.00 36.38 33.22 1jj2 s VAL 154 CO 0.37 0.11 1.76 -0.65 0.00 0.00 0.00 175.10 176.69 1jj2 h PRO 155 N 8.40 0.63 -7.12 2.72 0.11 -1.83 -3.45 132.00 131.46 1jj2 h PRO 155 Ca -0.33 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.21 1jj2 h PRO 155 Cb 1.17 -0.14 0.12 0.00 0.11 0.00 0.00 31.00 32.25 1jj2 h PRO 155 CO 0.60 0.42 0.45 -1.59 -0.21 0.00 0.00 178.00 177.66 1jj2 s LYS 156 N -5.95 2.80 0.00 1.05 -2.85 -1.26 -4.93 119.74 108.60 1jj2 s LYS 156 Ca -0.12 1.77 0.00 0.00 -1.00 0.00 0.00 55.97 56.62 1jj2 s LYS 156 Cb 0.22 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 34.08 1jj2 s LYS 156 CO 0.78 -1.32 0.00 1.63 0.10 0.00 0.00 175.35 176.54 1jj2 n LYS 157 N -1.88 2.74 -1.71 1.78 5.02 -1.26 -4.13 118.16 118.73 1jj2 n LYS 157 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 1jj2 n LYS 157 Cb 0.50 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 1jj2 n LYS 157 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jj2 s LYS 158 N -1.85 4.15 0.52 1.97 2.20 -1.26 -4.59 119.74 120.87 1jj2 s LYS 158 Ca 0.00 2.57 -0.19 0.00 -0.36 0.00 0.00 55.97 57.99 1jj2 s LYS 158 Cb 0.00 -4.05 -0.07 0.00 -1.51 0.00 0.00 37.83 32.19 1jj2 s LYS 158 CO 0.00 -0.93 1.03 -2.14 -0.36 0.00 0.00 175.35 172.96 1jj2 s PRO 159 N 4.14 3.69 -0.16 4.03 0.02 -1.26 -4.81 135.00 140.65 1jj2 s PRO 159 Ca 0.86 1.27 -0.14 0.00 0.02 0.00 0.00 61.00 63.01 1jj2 s PRO 159 Cb -0.42 -2.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.97 1jj2 s PRO 159 CO 0.40 -0.51 0.29 -0.51 -0.33 0.00 0.00 177.00 176.33 1jj2 s ASP 160 N -2.31 6.43 -0.12 2.53 1.01 -1.26 -4.87 116.67 118.07 1jj2 s ASP 160 Ca 0.65 0.50 -0.01 0.00 0.71 0.00 0.00 52.55 54.40 1jj2 s ASP 160 Cb -0.15 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1jj2 s ASP 160 CO 0.25 0.11 -0.07 -0.69 0.21 0.00 0.00 175.17 174.98 1jj2 s VAL 161 N 0.45 3.61 0.01 -1.27 1.01 -1.26 -1.80 120.40 121.14 1jj2 s VAL 161 Ca 0.16 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1jj2 s VAL 161 Cb -0.13 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1jj2 s VAL 161 CO 0.04 0.53 0.36 0.00 0.00 0.00 0.00 175.10 176.03 1jj2 s MET 162 N -0.01 0.78 -0.17 2.72 0.23 0.10 -4.99 119.30 117.97 1jj2 s MET 162 Ca -0.01 -0.27 -0.15 0.00 -1.03 0.00 0.00 55.69 54.24 1jj2 s MET 162 Cb -0.14 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.47 1jj2 s MET 162 CO 0.03 -0.24 0.35 -2.00 -2.03 0.00 0.00 175.02 171.13 1jj2 s GLU 163 N -1.84 4.23 -0.11 3.16 2.12 -1.26 -0.17 118.70 124.83 1jj2 s GLU 163 Ca -0.10 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.42 1jj2 s GLU 163 Cb -0.03 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1jj2 s GLU 163 CO 0.02 0.12 -0.20 0.99 -0.54 0.00 0.00 175.26 175.64 1jj2 s THR 164 N 0.83 1.82 0.71 -1.70 2.01 -0.32 -4.93 115.64 114.05 1jj2 s THR 164 Ca 0.18 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 1jj2 s THR 164 Cb -0.14 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.79 1jj2 s THR 164 CO 0.06 0.50 1.18 -0.60 -0.69 0.00 0.00 174.62 175.07 1jj2 s ARG 165 N 0.68 2.35 -0.23 4.92 3.52 -1.26 -0.23 118.95 128.69 1jj2 s ARG 165 Ca -0.12 1.64 0.01 0.00 -0.13 0.00 0.00 55.73 57.14 1jj2 s ARG 165 Cb -0.16 -1.87 0.04 0.00 -1.56 0.00 0.00 34.95 31.39 1jj2 s ARG 165 CO 0.03 -1.65 -0.13 0.08 -0.81 0.00 0.00 175.30 172.82 1jj2 s VAL 166 N -2.09 2.28 -0.12 7.11 1.01 0.21 -0.89 120.40 127.92 1jj2 s VAL 166 Ca 0.72 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1jj2 s VAL 166 Cb -0.26 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1jj2 s VAL 166 CO 0.44 0.22 -0.04 -0.83 0.00 0.00 0.00 175.10 174.89 1jj2 s GLY 167 N 1.22 1.74 0.17 4.51 0.00 -1.01 -4.36 107.32 109.58 1jj2 s GLY 167 Ca -0.02 -0.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.81 1jj2 s GLY 167 CO -0.08 -0.34 0.32 0.61 0.00 0.00 0.00 173.10 173.61 1jj2 n GLY 168 N 2.87 1.70 0.00 0.20 0.00 -1.26 -0.84 105.19 107.86 1jj2 n GLY 168 Ca -0.18 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1jj2 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 169 N -0.23 -0.97 3.92 -0.02 0.00 -1.16 -4.72 105.19 102.01 1jj2 n GLY 169 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1jj2 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj2 s SER 170 N -2.57 5.39 0.17 1.61 1.04 -1.26 -4.90 113.70 113.19 1jj2 s SER 170 Ca 0.00 0.69 -0.09 0.00 0.48 0.00 0.00 55.95 57.04 1jj2 s SER 170 Cb 0.00 -1.58 0.05 0.00 0.10 0.00 0.00 66.02 64.58 1jj2 s SER 170 CO 0.00 -1.22 1.56 -0.37 0.98 0.00 0.00 173.24 174.19 1jj2 h VAL 171 N -0.32 1.27 -0.18 5.02 -1.51 -1.98 -0.73 116.25 117.82 1jj2 h VAL 171 Ca -0.45 -1.40 -0.02 0.00 -1.23 0.00 0.00 66.70 63.60 1jj2 h VAL 171 Cb 1.27 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1jj2 h VAL 171 CO 0.61 0.48 0.04 0.28 -1.23 0.00 0.00 177.57 177.75 1jj2 h SER 172 N 0.80 0.27 0.10 4.19 0.02 -1.98 0.14 113.55 117.08 1jj2 h SER 172 Ca 0.10 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1jj2 h SER 172 Cb 0.81 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1jj2 h SER 172 CO 0.07 0.43 -0.05 0.44 -1.14 0.00 0.00 176.83 176.59 1jj2 h ASP 173 N 0.09 -0.11 0.81 3.07 3.32 -1.92 -1.85 116.42 119.84 1jj2 h ASP 173 Ca 0.06 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1jj2 h ASP 173 Cb 0.27 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jj2 h ASP 173 CO 0.00 -0.06 -0.38 0.08 -1.72 0.00 0.00 179.24 177.16 1jj2 h ARG 174 N -0.15 0.00 -0.44 3.56 0.11 -1.11 -0.38 114.38 115.98 1jj2 h ARG 174 Ca -0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1jj2 h ARG 174 Cb 0.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 1jj2 h ARG 174 CO 0.02 0.38 0.21 1.25 0.10 0.00 0.00 179.97 181.93 1jj2 h LEU 175 N 0.00 0.58 -0.38 0.08 6.46 -0.51 0.17 115.31 121.70 1jj2 h LEU 175 Ca -0.00 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1jj2 h LEU 175 Cb 0.89 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1jj2 h LEU 175 CO 0.05 0.55 0.12 0.44 -0.62 0.00 0.00 178.44 178.98 1jj2 h ASP 176 N 0.57 0.55 -0.82 1.25 3.32 -0.95 -2.05 116.42 118.28 1jj2 h ASP 176 Ca 0.15 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.08 1jj2 h ASP 176 Cb 0.13 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 1jj2 h ASP 176 CO -0.02 0.61 0.54 -0.74 -1.72 0.00 0.00 179.24 177.91 1jj2 h HIS 177 N 0.47 0.87 0.58 4.55 2.76 -0.52 -0.53 115.15 123.33 1jj2 h HIS 177 Ca 0.12 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1jj2 h HIS 177 Cb 0.25 -0.28 0.01 0.00 1.55 0.00 0.00 27.41 28.93 1jj2 h HIS 177 CO 0.01 0.43 -0.28 0.00 -1.30 0.00 0.00 177.93 176.79 1jj2 h ALA 178 N 1.57 -0.78 -0.73 5.26 0.00 -0.27 -2.62 119.26 121.69 1jj2 h ALA 178 Ca 0.37 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1jj2 h ALA 178 Cb 0.34 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1jj2 h ALA 178 CO -0.14 -0.82 0.24 -0.07 0.00 0.00 0.00 179.25 178.46 1jj2 h LEU 179 N -1.01 0.17 -0.29 0.00 3.38 -0.97 -1.31 115.31 115.28 1jj2 h LEU 179 Ca -0.08 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1jj2 h LEU 179 Cb 0.66 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1jj2 h LEU 179 CO 0.13 0.05 -0.01 0.44 0.09 0.00 0.00 178.44 179.14 1jj2 h ASP 180 N 0.37 -0.13 0.15 -0.43 3.32 -1.04 0.46 116.42 119.12 1jj2 h ASP 180 Ca 0.40 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1jj2 h ASP 180 Cb 0.63 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1jj2 h ASP 180 CO -0.43 -0.03 -0.08 0.40 -1.72 0.00 0.00 179.24 177.37 1jj2 h ILE 181 N 0.08 0.82 0.65 0.35 2.04 -0.89 -3.07 117.51 117.49 1jj2 h ILE 181 Ca 0.14 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 1jj2 h ILE 181 Cb 0.19 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1jj2 h ILE 181 CO -0.24 0.00 -0.48 0.58 0.00 0.00 0.00 178.15 178.01 1jj2 h VAL 182 N -0.22 0.00 -0.98 1.67 2.07 -0.98 -1.94 116.25 115.88 1jj2 h VAL 182 Ca -0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.69 1jj2 h VAL 182 Cb 0.18 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.77 1jj2 h VAL 182 CO 0.02 0.00 -0.27 -0.33 0.02 0.00 0.00 177.57 177.01 1jj2 h GLU 183 N -1.08 -0.00 0.00 1.57 4.39 -0.94 -2.52 114.58 116.00 1jj2 h GLU 183 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1jj2 h GLU 183 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1jj2 h GLU 183 CO 0.03 -0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.63 1jj2 n ASP 184 N -5.59 0.00 0.00 1.42 8.00 -1.16 -4.76 116.55 114.46 1jj2 n ASP 184 Ca 0.14 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1jj2 n ASP 184 Cb 0.47 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1jj2 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jj2 n GLY 185 N -0.91 0.30 3.20 0.44 0.00 -0.96 -4.91 105.19 102.35 1jj2 n GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jj2 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 186 N 0.00 1.90 3.62 -0.02 0.00 -0.73 -4.49 105.19 105.47 1jj2 n GLY 186 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1jj2 n GLY 186 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jj2 n GLU 187 N -2.00 2.13 -4.11 1.61 2.13 -1.26 -1.31 120.64 117.82 1jj2 n GLU 187 Ca 0.00 0.71 -0.09 0.00 0.66 0.00 0.00 57.16 58.45 1jj2 n GLU 187 Cb 0.00 -2.88 -0.10 0.00 0.27 0.00 0.00 31.44 28.74 1jj2 n GLU 187 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1jj2 s HIS 188 N 5.83 0.70 0.27 4.31 -3.43 -0.94 -4.98 115.29 117.06 1jj2 s HIS 188 Ca 0.97 -1.14 0.03 0.00 -0.80 0.00 0.00 55.06 54.11 1jj2 s HIS 188 Cb -0.55 -0.42 -0.06 0.00 -1.43 0.00 0.00 32.58 30.12 1jj2 s HIS 188 CO 0.44 -0.48 0.04 0.00 -2.00 0.00 0.00 174.74 172.75 1jj2 s ALA 189 N -3.99 1.99 0.31 -1.38 0.00 -1.26 -1.48 121.76 115.95 1jj2 s ALA 189 Ca 0.17 -1.90 0.06 0.00 0.00 0.00 0.00 51.96 50.29 1jj2 s ALA 189 Cb 0.07 0.69 0.71 0.00 0.00 0.00 0.00 23.12 24.60 1jj2 s ALA 189 CO -0.03 -0.32 1.81 1.98 0.00 0.00 0.00 175.76 179.20 1jj2 h MET 190 N 2.32 0.78 -0.50 0.00 4.05 -1.86 -1.60 114.93 118.13 1jj2 h MET 190 Ca -0.39 -0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.06 1jj2 h MET 190 Cb 1.24 -0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 31.79 1jj2 h MET 190 CO 0.65 0.52 0.11 -0.91 0.23 0.00 0.00 176.91 177.51 1jj2 h ASN 191 N 0.81 0.03 -0.01 1.39 2.35 -1.95 0.81 115.58 119.00 1jj2 h ASN 191 Ca 0.53 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.36 1jj2 h ASN 191 Cb 0.76 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 1jj2 h ASN 191 CO -0.30 0.04 0.05 0.44 -1.65 0.00 0.00 177.43 176.01 1jj2 h ASP 192 N 0.25 0.00 0.00 5.81 3.32 -1.70 -3.29 116.42 120.81 1jj2 h ASP 192 Ca 0.25 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 1jj2 h ASP 192 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1jj2 h ASP 192 CO -0.31 0.00 -1.38 -0.38 -1.72 0.00 0.00 179.24 175.45 1jj2 n ILE 193 N -3.16 0.38 -4.30 0.35 5.41 -0.84 -4.95 119.36 112.25 1jj2 n ILE 193 Ca -0.03 -0.13 -0.25 0.00 1.00 0.00 0.00 62.75 63.34 1jj2 n ILE 193 Cb 0.12 -0.97 -0.09 0.00 -0.71 0.00 0.00 39.64 38.00 1jj2 n ILE 193 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1jj2 s PHE 194 N -2.13 2.64 -0.04 1.39 0.40 0.22 -5.05 117.98 115.41 1jj2 s PHE 194 Ca -0.09 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1jj2 s PHE 194 Cb 0.03 -1.24 -0.00 0.00 0.51 0.00 0.00 43.02 42.32 1jj2 s PHE 194 CO 0.14 0.56 -0.15 0.50 0.70 0.00 0.00 175.22 176.98 1jj2 s ARG 195 N -3.17 1.57 0.18 0.44 6.06 -1.26 -4.37 118.95 118.40 1jj2 s ARG 195 Ca 0.28 -0.54 -0.33 0.00 -2.50 0.00 0.00 55.73 52.64 1jj2 s ARG 195 Cb -0.08 -1.39 -0.15 0.00 0.06 0.00 0.00 34.95 33.40 1jj2 s ARG 195 CO 0.17 0.22 1.32 0.00 -2.50 0.00 0.00 175.30 174.51 1jj2 n ALA 196 N 3.16 0.07 0.00 6.12 0.00 -1.26 -1.76 120.51 126.83 1jj2 n ALA 196 Ca -0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1jj2 n ALA 196 Cb 0.53 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1jj2 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 197 N 2.30 2.79 3.87 0.00 0.00 0.31 -0.77 105.19 113.69 1jj2 n GLY 197 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1jj2 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jj2 s GLU 198 N -0.64 3.46 -0.15 1.61 2.02 -0.72 -3.78 118.70 120.50 1jj2 s GLU 198 Ca 0.00 0.67 -0.10 0.00 0.02 0.00 0.00 54.97 55.56 1jj2 s GLU 198 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 1jj2 s GLU 198 CO 0.00 -0.64 0.19 0.71 0.02 0.00 0.00 175.26 175.54 1jj2 s TYR 199 N -3.19 3.51 0.17 1.61 1.51 -1.26 -1.18 117.35 118.52 1jj2 s TYR 199 Ca 0.55 0.51 0.07 0.00 -1.01 0.00 0.00 57.07 57.19 1jj2 s TYR 199 Cb -0.11 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1jj2 s TYR 199 CO 0.53 0.46 -0.14 0.00 -1.11 0.00 0.00 175.55 175.29 1jj2 s ALA 200 N -0.19 1.79 -0.21 3.71 0.00 0.86 -1.44 121.76 126.28 1jj2 s ALA 200 Ca 0.13 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1jj2 s ALA 200 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1jj2 s ALA 200 CO 0.03 0.04 0.06 -0.51 0.00 0.00 0.00 175.76 175.37 1jj2 s ASP 201 N -3.10 5.36 -0.21 0.00 1.01 0.24 0.77 116.67 120.73 1jj2 s ASP 201 Ca 0.18 -0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.34 1jj2 s ASP 201 Cb -0.01 -1.93 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 1jj2 s ASP 201 CO 0.05 0.09 0.00 -0.69 0.21 0.00 0.00 175.17 174.83 1jj2 s VAL 202 N 0.85 3.89 0.23 -1.27 1.01 -0.52 -1.76 120.40 122.83 1jj2 s VAL 202 Ca 0.03 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1jj2 s VAL 202 Cb -0.14 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1jj2 s VAL 202 CO 0.02 0.41 0.21 0.00 0.00 0.00 0.00 175.10 175.75 1jj2 s ALA 203 N 1.17 3.64 0.00 5.51 0.00 -0.50 -0.40 121.76 131.18 1jj2 s ALA 203 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1jj2 s ALA 203 Cb -0.14 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1jj2 s ALA 203 CO 0.01 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.49 1jj2 n GLY 204 N -1.02 1.25 3.59 0.00 0.00 0.32 -2.02 105.19 107.30 1jj2 n GLY 204 Ca -0.08 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1jj2 n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jj2 s VAL 205 N -2.00 4.90 1.05 1.61 1.01 -1.26 -0.76 120.40 124.95 1jj2 s VAL 205 Ca 0.00 0.75 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 1jj2 s VAL 205 Cb 0.00 -4.05 0.19 0.00 0.00 0.00 0.00 36.38 32.52 1jj2 s VAL 205 CO 0.00 -0.24 0.88 0.35 0.00 0.00 0.00 175.10 176.09 1jj2 n THR 206 N 5.51 0.00 -1.82 3.92 -2.24 0.94 -3.68 114.28 116.91 1jj2 n THR 206 Ca -0.01 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1jj2 n THR 206 Cb 0.49 -0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1jj2 n THR 206 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jj2 s LYS 207 N -4.29 4.16 0.38 -0.78 1.02 -1.26 -2.13 119.74 116.83 1jj2 s LYS 207 Ca 0.65 2.51 -0.23 0.00 0.02 0.00 0.00 55.97 58.92 1jj2 s LYS 207 Cb -0.23 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 33.91 1jj2 s LYS 207 CO 0.63 -0.63 0.95 0.20 -0.92 0.00 0.00 175.35 175.58 1jj2 s GLY 208 N 0.75 2.60 -0.00 -3.33 0.00 -1.26 -2.61 107.32 103.47 1jj2 s GLY 208 Ca 0.67 0.47 0.01 0.00 0.00 0.00 0.00 44.72 45.87 1jj2 s GLY 208 CO 0.40 0.84 0.76 0.28 0.00 0.00 0.00 173.10 175.38 1jj2 n LYS 209 N -0.06 1.34 0.00 2.90 5.02 -0.38 -4.84 118.16 122.13 1jj2 n LYS 209 Ca 0.05 -1.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 1jj2 n LYS 209 Cb 0.52 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1jj2 n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jj2 n GLY 210 N -0.27 1.49 3.77 0.72 0.00 -1.19 -4.61 105.19 105.10 1jj2 n GLY 210 Ca 0.01 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1jj2 n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jj2 s THR 211 N 0.00 4.60 0.07 2.61 -4.23 -1.26 -1.08 115.64 116.35 1jj2 s THR 211 Ca 0.00 1.59 0.01 0.00 -1.18 0.00 0.00 61.69 62.11 1jj2 s THR 211 Cb 0.00 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 1jj2 s THR 211 CO 0.00 0.45 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.38 1jj2 s GLN 212 N -0.61 0.70 0.76 3.99 -1.52 -0.45 -4.93 119.66 117.60 1jj2 s GLN 212 Ca 0.36 -1.22 -0.09 0.00 -1.95 0.00 0.00 55.36 52.46 1jj2 s GLN 212 Cb -0.21 -0.03 0.08 0.00 -0.22 0.00 0.00 33.01 32.62 1jj2 s GLN 212 CO 0.23 -0.05 1.10 0.20 -0.25 0.00 0.00 175.29 176.53 1jj2 s GLY 213 N -2.82 1.65 0.31 3.09 0.00 -1.26 -2.18 107.32 106.09 1jj2 s GLY 213 Ca 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.02 1jj2 s GLY 213 CO -0.06 -0.36 1.84 -2.55 0.00 0.00 0.00 173.10 171.97 1jj2 h PRO 214 N -0.85 0.85 -0.06 2.90 0.11 -1.83 0.77 132.00 133.88 1jj2 h PRO 214 Ca -0.45 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1jj2 h PRO 214 Cb 1.32 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1jj2 h PRO 214 CO 0.62 0.56 -0.14 0.28 -0.21 0.00 0.00 178.00 179.11 1jj2 h VAL 215 N 0.87 0.64 0.09 3.15 2.07 -1.83 0.24 116.25 121.47 1jj2 h VAL 215 Ca 0.49 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.81 1jj2 h VAL 215 Cb 0.62 0.64 0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1jj2 h VAL 215 CO -0.26 0.00 -0.85 0.50 0.02 0.00 0.00 177.57 176.98 1jj2 h LYS 216 N -0.20 0.42 -0.33 1.57 3.64 -1.78 -1.61 116.57 118.27 1jj2 h LYS 216 Ca 0.07 -0.57 -0.14 0.00 -1.27 0.00 0.00 60.65 58.74 1jj2 h LYS 216 Cb 0.30 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1jj2 h LYS 216 CO -0.18 1.23 -0.37 -0.09 -2.27 0.00 0.00 179.45 177.76 1jj2 h ARG 217 N -0.12 0.78 -0.00 1.90 2.43 -0.84 -3.37 114.38 115.16 1jj2 h ARG 217 Ca -0.13 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1jj2 h ARG 217 Cb 1.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1jj2 h ARG 217 CO 0.16 1.02 -0.03 0.91 -1.51 0.00 0.00 179.97 180.52 1jj2 n TRP 218 N -4.05 0.00 -1.01 2.20 7.02 0.78 -5.02 117.44 117.36 1jj2 n TRP 218 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1jj2 n TRP 218 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1jj2 n TRP 218 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jj2 n GLY 219 N 0.92 0.43 3.79 6.99 0.00 -0.60 -2.89 105.19 113.83 1jj2 n GLY 219 Ca 0.00 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1jj2 n GLY 219 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jj2 s VAL 220 N -2.00 3.68 0.97 1.61 -7.23 -1.21 -4.92 120.40 111.30 1jj2 s VAL 220 Ca 0.00 0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 60.66 1jj2 s VAL 220 Cb 0.00 -3.21 0.17 0.00 0.56 0.00 0.00 36.38 33.90 1jj2 s VAL 220 CO 0.00 -0.63 1.12 -1.10 -0.31 0.00 0.00 175.10 174.18 1jj2 s GLN 221 N -4.68 0.63 0.36 4.82 -0.21 -1.26 -4.45 119.66 114.88 1jj2 s GLN 221 Ca 0.61 0.34 0.03 0.00 0.02 0.00 0.00 55.36 56.36 1jj2 s GLN 221 Cb -0.16 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 1jj2 s GLN 221 CO 0.50 -2.55 0.54 0.15 -2.12 0.00 0.00 175.29 171.80 1jj2 s LYS 222 N -5.16 3.23 0.45 2.91 1.02 -1.26 -4.84 119.74 116.09 1jj2 s LYS 222 Ca 0.65 -0.65 -0.25 0.00 0.02 0.00 0.00 55.97 55.74 1jj2 s LYS 222 Cb -0.16 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.36 1jj2 s LYS 222 CO 0.55 0.03 1.40 1.03 -0.92 0.00 0.00 175.35 177.44 1jj2 s ARG 223 N -4.30 3.70 0.09 1.68 1.81 -0.51 -4.98 118.95 116.43 1jj2 s ARG 223 Ca 0.43 2.35 0.05 0.00 -1.72 0.00 0.00 55.73 56.85 1jj2 s ARG 223 Cb -0.10 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 31.72 1jj2 s ARG 223 CO 0.34 -0.78 -0.05 0.15 -0.68 0.00 0.00 175.30 174.28 1jj2 s LYS 224 N -2.44 2.38 4.46 3.54 -0.14 -1.26 -4.34 119.74 121.94 1jj2 s LYS 224 Ca 0.61 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 1jj2 s LYS 224 Cb -0.42 -2.45 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 1jj2 s LYS 224 CO 0.54 0.54 0.00 0.41 -0.76 0.00 0.00 175.35 176.08 1jj2 n GLY 225 N 0.73 3.08 0.33 -3.33 0.00 -1.26 -1.78 105.19 102.96 1jj2 n GLY 225 Ca -0.12 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1jj2 n GLY 225 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jj2 h LYS 226 N 0.00 0.30 0.00 1.61 3.64 -2.02 -0.96 116.57 119.14 1jj2 h LYS 226 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1jj2 h LYS 226 Cb 0.00 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1jj2 h LYS 226 CO 0.00 0.20 -0.02 0.45 -2.27 0.00 0.00 179.45 177.80 1jj2 h HIS 227 N 0.31 0.00 0.00 1.91 3.86 -1.71 -2.29 115.15 117.22 1jj2 h HIS 227 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1jj2 h HIS 227 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1jj2 h HIS 227 CO -0.00 0.02 0.00 0.00 0.86 0.00 0.00 177.93 178.81 1jj2 n ALA 228 N -2.51 1.77 0.56 2.45 0.00 -0.37 -2.99 120.51 119.42 1jj2 n ALA 228 Ca -0.03 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1jj2 n ALA 228 Cb 0.11 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 1jj2 n ALA 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jj2 n ARG 229 N -1.69 1.95 0.17 0.00 1.74 -0.86 -4.61 116.66 113.36 1jj2 n ARG 229 Ca 0.04 -0.67 0.13 0.00 -0.77 0.00 0.00 57.85 56.58 1jj2 n ARG 229 Cb 0.21 -1.16 0.41 0.00 -1.02 0.00 0.00 32.46 30.90 1jj2 n ARG 229 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1jj2 h GLN 230 N 1.35 0.00 0.00 5.56 1.08 -1.56 -3.45 115.11 118.09 1jj2 h GLN 230 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jj2 h GLN 230 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1jj2 h GLN 230 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1jj2 n GLY 231 N 0.75 0.44 3.08 3.46 0.00 -1.26 -5.11 105.19 106.55 1jj2 n GLY 231 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1jj2 n GLY 231 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jj2 s TRP 232 N -0.60 2.27 0.00 1.61 0.51 -1.26 -5.01 118.94 116.46 1jj2 s TRP 232 Ca 0.00 -1.18 0.00 0.00 -2.12 0.00 0.00 56.10 52.80 1jj2 s TRP 232 Cb 0.00 -1.61 0.00 0.00 -0.81 0.00 0.00 33.47 31.05 1jj2 s TRP 232 CO 0.00 -0.59 0.00 0.54 -0.51 0.00 0.00 176.95 176.39 1jj2 n ARG 233 N 4.35 0.00 -2.43 4.98 1.74 -1.26 -4.18 116.66 119.86 1jj2 n ARG 233 Ca -0.19 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.74 1jj2 n ARG 233 Cb 0.51 -0.75 0.03 0.00 -1.02 0.00 0.00 32.46 31.23 1jj2 n ARG 233 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jj2 n ARG 234 N -2.73 2.70 -5.05 5.56 1.74 -1.26 -1.43 116.66 116.19 1jj2 n ARG 234 Ca 0.00 -3.90 -0.28 0.00 -0.77 0.00 0.00 57.85 52.89 1jj2 n ARG 234 Cb 0.49 -1.94 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 1jj2 n ARG 234 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1jj2 s ARG 235 N -3.60 1.90 0.85 5.56 0.52 -1.26 -4.67 118.95 118.26 1jj2 s ARG 235 Ca 0.40 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.74 1jj2 s ARG 235 Cb 0.39 -1.75 0.10 0.00 0.52 0.00 0.00 34.95 34.21 1jj2 s ARG 235 CO -0.02 0.40 1.10 0.96 0.02 0.00 0.00 175.30 177.76 1jj2 s ILE 236 N -0.32 2.85 0.11 1.52 -4.36 -1.26 -4.77 121.20 114.97 1jj2 s ILE 236 Ca 0.03 0.28 -0.23 0.00 -0.26 0.00 0.00 60.65 60.47 1jj2 s ILE 236 Cb -0.10 -2.66 -0.09 0.00 1.25 0.00 0.00 42.46 40.86 1jj2 s ILE 236 CO 0.01 -0.36 1.70 1.23 0.24 0.00 0.00 174.94 177.76 1jj2 h GLY 237 N -1.45 -0.07 -2.82 6.27 0.00 -2.00 -3.46 103.07 99.52 1jj2 h GLY 237 Ca -0.46 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1jj2 h GLY 237 CO 0.51 -0.09 0.08 0.54 0.00 0.00 0.00 176.54 177.57 1jj2 s ASN 238 N -5.09 -0.36 0.00 0.19 4.22 -1.26 -5.03 114.94 107.62 1jj2 s ASN 238 Ca -0.14 -0.29 0.13 0.00 -2.14 0.00 0.00 52.86 50.42 1jj2 s ASN 238 Cb 0.08 0.57 0.41 0.00 1.28 0.00 0.00 41.25 43.58 1jj2 s ASN 238 CO 0.67 -0.99 1.32 0.18 -2.04 0.00 0.00 177.10 176.23 1jj2 n LEU 239 N -0.33 1.74 0.00 3.54 4.77 -1.26 -5.00 117.00 120.46 1jj2 n LEU 239 Ca -0.13 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1jj2 n LEU 239 Cb 0.63 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1jj2 n LEU 239 CO 0.15 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1jj2 n GLY 240 N 1.05 1.61 3.77 -0.72 0.00 -1.26 -4.40 105.19 105.24 1jj2 n GLY 240 Ca 0.12 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1jj2 n GLY 240 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jj2 s PRO 241 N -1.28 0.77 0.11 1.61 0.04 -1.26 -4.96 135.00 130.02 1jj2 s PRO 241 Ca 0.00 0.20 -0.23 0.00 0.04 0.00 0.00 61.00 61.01 1jj2 s PRO 241 Cb 0.00 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 1jj2 s PRO 241 CO 0.00 -2.43 1.71 2.35 0.04 0.00 0.00 177.00 178.67 1jj2 h TRP 242 N -1.66 -0.18 -4.03 0.56 2.91 -2.00 -3.42 115.95 108.14 1jj2 h TRP 242 Ca -0.50 0.01 -0.62 0.00 1.13 0.00 0.00 58.89 58.91 1jj2 h TRP 242 Cb 1.32 0.08 -0.31 0.00 -0.51 0.00 0.00 29.16 29.74 1jj2 h TRP 242 CO -0.12 -0.11 -0.86 -0.80 -1.03 0.00 0.00 178.44 175.52 1jj2 s ASN 243 N -5.10 2.59 0.24 2.65 0.01 -1.26 -2.66 114.94 111.41 1jj2 s ASN 243 Ca -0.14 -0.42 -0.30 0.00 -0.71 0.00 0.00 52.86 51.29 1jj2 s ASN 243 Cb 0.08 -0.65 -0.10 0.00 0.41 0.00 0.00 41.25 40.98 1jj2 s ASN 243 CO 0.67 0.21 1.50 -2.16 -1.51 0.00 0.00 177.10 175.80 1jj2 s PRO 244 N -0.12 4.22 -1.29 -0.60 0.04 -1.26 -5.07 135.00 130.92 1jj2 s PRO 244 Ca -0.02 2.38 -0.16 0.00 0.04 0.00 0.00 61.00 63.24 1jj2 s PRO 244 Cb -0.12 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1jj2 s PRO 244 CO 0.02 -0.50 2.19 -1.13 0.04 0.00 0.00 177.00 177.62 1jj2 n SER 245 N 2.59 3.81 -3.55 6.66 3.41 -1.09 -4.73 113.62 120.72 1jj2 n SER 245 Ca 0.08 -2.78 -0.08 0.00 -0.26 0.00 0.00 58.87 55.84 1jj2 n SER 245 Cb 0.39 -1.51 -0.03 0.00 -0.26 0.00 0.00 64.21 62.80 1jj2 n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jj2 s ARG 246 N 3.58 0.60 -0.19 4.33 1.70 -1.26 -5.14 118.95 122.57 1jj2 s ARG 246 Ca 0.50 -0.10 -0.19 0.00 -0.47 0.00 0.00 55.73 55.48 1jj2 s ARG 246 Cb 0.14 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 1jj2 s ARG 246 CO -0.04 -0.24 0.54 0.08 -1.08 0.00 0.00 175.30 174.56 1jj2 s VAL 247 N -2.20 5.10 0.27 4.99 1.01 -1.26 -4.92 120.40 123.38 1jj2 s VAL 247 Ca 0.04 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 1jj2 s VAL 247 Cb -0.01 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1jj2 s VAL 247 CO -0.04 0.18 0.96 -0.13 0.00 0.00 0.00 175.10 176.07 1jj2 s ARG 248 N 1.56 4.75 0.33 2.72 0.52 -1.26 -4.93 118.95 122.65 1jj2 s ARG 248 Ca 0.25 1.49 0.22 0.00 -0.52 0.00 0.00 55.73 57.17 1jj2 s ARG 248 Cb -0.15 -3.14 1.19 0.00 0.52 0.00 0.00 34.95 33.37 1jj2 s ARG 248 CO 0.10 0.41 1.69 -1.13 0.02 0.00 0.00 175.30 176.39 1jj2 n SER 249 N 1.20 0.59 0.00 0.23 3.41 -1.26 -1.89 113.62 115.90 1jj2 n SER 249 Ca -0.01 0.76 0.14 0.00 -0.26 0.00 0.00 58.87 59.50 1jj2 n SER 249 Cb 0.48 -0.84 0.61 0.00 -0.26 0.00 0.00 64.21 64.19 1jj2 n SER 249 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jj2 n THR 250 N -2.28 0.06 -2.72 6.66 -2.24 -1.26 -4.80 114.28 107.70 1jj2 n THR 250 Ca -0.01 0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1jj2 n THR 250 Cb 0.06 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.71 1jj2 n THR 250 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jj2 s VAL 251 N -2.97 4.48 -0.02 2.28 0.11 -0.79 -4.96 120.40 118.52 1jj2 s VAL 251 Ca 0.15 2.06 -0.30 0.00 -2.93 0.00 0.00 61.98 60.96 1jj2 s VAL 251 Cb 0.19 -4.31 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 1jj2 s VAL 251 CO 0.51 0.31 1.90 -2.16 -3.33 0.00 0.00 175.10 172.33 1jj2 s PRO 252 N -0.00 4.04 0.18 1.54 0.04 -1.26 -4.98 135.00 134.56 1jj2 s PRO 252 Ca 0.47 2.41 0.02 0.00 0.04 0.00 0.00 61.00 63.95 1jj2 s PRO 252 Cb -0.24 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.12 1jj2 s PRO 252 CO 0.30 -1.05 -0.01 -0.65 0.04 0.00 0.00 177.00 175.63 1jj2 s GLN 253 N 4.54 1.15 0.86 4.56 -0.21 -1.26 -4.85 119.66 124.46 1jj2 s GLN 253 Ca 0.85 -1.56 -0.12 0.00 0.02 0.00 0.00 55.36 54.55 1jj2 s GLN 253 Cb -0.39 -0.39 0.09 0.00 1.00 0.00 0.00 33.01 33.32 1jj2 s GLN 253 CO 0.37 -0.10 1.01 0.94 -2.12 0.00 0.00 175.29 175.40 1jj2 n GLN 254 N -0.28 -0.09 -3.56 2.91 0.00 -1.26 -4.56 117.38 110.54 1jj2 n GLN 254 Ca -0.07 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1jj2 n GLN 254 Cb 0.63 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 28.59 1jj2 n GLN 254 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jj2 n GLY 255 N 0.69 -1.36 3.75 1.69 0.00 -0.93 -5.00 105.19 104.03 1jj2 n GLY 255 Ca 0.12 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1jj2 n GLY 255 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jj2 s GLN 256 N -1.98 4.19 -0.02 1.61 -0.44 -1.26 -1.34 119.66 120.42 1jj2 s GLN 256 Ca 0.00 2.46 0.00 0.00 -2.50 0.00 0.00 55.36 55.32 1jj2 s GLN 256 Cb 0.00 -3.05 0.02 0.00 -1.64 0.00 0.00 33.01 28.34 1jj2 s GLN 256 CO 0.00 -0.52 0.02 0.95 0.50 0.00 0.00 175.29 176.24 1jj2 s THR 257 N -0.22 -0.00 0.00 -0.34 -4.23 -0.24 -4.73 115.64 105.87 1jj2 s THR 257 Ca 0.60 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1jj2 s THR 257 Cb -0.45 -0.09 0.00 0.00 1.34 0.00 0.00 72.50 73.30 1jj2 s THR 257 CO 0.49 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 1jj2 n GLY 258 N 3.85 -0.02 3.60 3.99 0.00 -1.26 -1.25 105.19 114.09 1jj2 n GLY 258 Ca -0.23 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 1jj2 n GLY 258 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jj2 n TYR 259 N 0.09 -2.26 -4.45 1.61 9.36 -0.91 -4.67 117.16 115.93 1jj2 n TYR 259 Ca 0.00 0.92 -0.24 0.00 3.32 0.00 0.00 57.90 61.90 1jj2 n TYR 259 Cb 0.00 -4.75 -0.10 0.00 -0.63 0.00 0.00 39.34 33.85 1jj2 n TYR 259 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1jj2 s HIS 260 N -3.43 2.25 0.24 2.98 3.76 -1.26 -1.65 115.29 118.17 1jj2 s HIS 260 Ca 0.19 -0.35 -0.23 0.00 -0.15 0.00 0.00 55.06 54.52 1jj2 s HIS 260 Cb -0.09 -1.01 -0.09 0.00 1.11 0.00 0.00 32.58 32.50 1jj2 s HIS 260 CO 0.77 0.64 0.81 -1.14 -0.85 0.00 0.00 174.74 174.97 1jj2 s GLN 261 N -3.31 4.45 -0.06 1.40 0.74 -1.26 -0.04 119.66 121.58 1jj2 s GLN 261 Ca 0.27 1.10 -0.05 0.00 0.05 0.00 0.00 55.36 56.73 1jj2 s GLN 261 Cb -0.05 -2.97 0.02 0.00 1.10 0.00 0.00 33.01 31.11 1jj2 s GLN 261 CO 0.13 0.41 0.16 1.03 -0.55 0.00 0.00 175.29 176.47 1jj2 s ARG 262 N -1.76 0.17 -0.42 1.67 1.81 0.06 -4.92 118.95 115.56 1jj2 s ARG 262 Ca 0.43 0.23 0.01 0.00 -1.72 0.00 0.00 55.73 54.69 1jj2 s ARG 262 Cb -0.19 0.06 0.11 0.00 -0.45 0.00 0.00 34.95 34.48 1jj2 s ARG 262 CO 0.24 -0.04 0.17 0.99 -0.68 0.00 0.00 175.30 175.98 1jj2 s THR 263 N 0.19 2.81 -0.29 0.02 2.01 -1.26 -0.52 115.64 118.60 1jj2 s THR 263 Ca -0.01 -2.45 -0.27 0.00 0.31 0.00 0.00 61.69 59.26 1jj2 s THR 263 Cb -0.02 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1jj2 s THR 263 CO -0.00 -0.69 0.99 -0.70 -0.69 0.00 0.00 174.62 173.53 1jj2 s GLU 264 N 0.71 4.09 0.65 4.92 2.12 0.46 -4.91 118.70 126.75 1jj2 s GLU 264 Ca 0.12 1.02 -0.11 0.00 0.36 0.00 0.00 54.97 56.35 1jj2 s GLU 264 Cb -0.21 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 1jj2 s GLU 264 CO -0.05 -0.77 1.04 -0.51 -0.54 0.00 0.00 175.26 174.44 1jj2 s LEU 265 N 3.34 3.16 -1.13 2.70 1.02 -1.26 -1.44 118.68 125.07 1jj2 s LEU 265 Ca 0.41 1.42 -0.27 0.00 0.02 0.00 0.00 54.13 55.72 1jj2 s LEU 265 Cb -0.13 -4.41 0.03 0.00 0.02 0.00 0.00 46.19 41.70 1jj2 s LEU 265 CO 0.12 -1.05 0.68 0.59 0.02 0.00 0.00 176.35 176.70 1jj2 n ASN 266 N -2.87 -4.41 -4.63 2.29 3.02 -1.23 -4.92 115.26 102.51 1jj2 n ASN 266 Ca 0.06 -1.21 -0.38 0.00 -0.03 0.00 0.00 54.58 53.02 1jj2 n ASN 266 Cb 0.54 -1.83 -0.09 0.00 -0.61 0.00 0.00 39.78 37.80 1jj2 n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jj2 s LYS 267 N -6.82 4.06 0.08 3.52 -0.14 0.23 -4.84 119.74 115.83 1jj2 s LYS 267 Ca 0.40 -0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 1jj2 s LYS 267 Cb -0.21 -3.60 -0.05 0.00 -1.68 0.00 0.00 37.83 32.29 1jj2 s LYS 267 CO 0.95 -0.14 1.04 0.50 -0.76 0.00 0.00 175.35 176.94 1jj2 s ARG 268 N 1.63 4.58 -0.62 1.68 3.52 -1.26 -0.10 118.95 128.39 1jj2 s ARG 268 Ca 0.14 1.55 -0.23 0.00 -0.13 0.00 0.00 55.73 57.05 1jj2 s ARG 268 Cb -0.15 -3.38 0.06 0.00 -1.56 0.00 0.00 34.95 29.92 1jj2 s ARG 268 CO 0.08 0.01 0.93 -0.51 -0.81 0.00 0.00 175.30 175.01 1jj2 s LEU 269 N 0.47 4.36 0.28 -0.88 1.43 -0.33 -1.02 118.68 122.99 1jj2 s LEU 269 Ca 0.51 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1jj2 s LEU 269 Cb -0.25 -2.53 0.42 0.00 0.03 0.00 0.00 46.19 43.87 1jj2 s LEU 269 CO 0.30 -1.34 1.73 0.40 0.23 0.00 0.00 176.35 177.67 1jj2 h ILE 270 N 5.98 1.26 -1.66 -0.59 1.08 -1.51 0.89 117.51 122.94 1jj2 h ILE 270 Ca -0.28 -1.23 0.10 0.00 -0.39 0.00 0.00 64.86 63.06 1jj2 h ILE 270 Cb 1.07 1.32 -0.22 0.00 -3.07 0.00 0.00 36.82 35.93 1jj2 h ILE 270 CO 1.14 0.39 0.57 -0.62 -0.69 0.00 0.00 178.15 178.94 1jj2 s ASP 271 N -6.81 -0.34 -0.23 1.72 2.15 -1.21 -4.58 116.67 107.37 1jj2 s ASP 271 Ca -0.07 0.30 -0.01 0.00 0.43 0.00 0.00 52.55 53.19 1jj2 s ASP 271 Cb 0.14 0.30 0.07 0.00 -0.30 0.00 0.00 42.92 43.13 1jj2 s ASP 271 CO 0.79 -0.37 0.02 -0.63 -0.17 0.00 0.00 175.17 174.81 1jj2 s ILE 272 N -1.53 0.88 0.00 4.11 1.01 -1.26 -0.61 121.20 123.79 1jj2 s ILE 272 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1jj2 s ILE 272 Cb -0.01 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1jj2 s ILE 272 CO -0.01 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1jj2 n GLY 273 N 4.90 5.44 3.59 6.18 0.00 -0.60 -4.99 105.19 119.71 1jj2 n GLY 273 Ca -0.08 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1jj2 n GLY 273 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jj2 s GLU 274 N 1.82 0.89 0.00 1.61 2.12 -1.26 -1.32 118.70 122.56 1jj2 s GLU 274 Ca 0.00 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1jj2 s GLU 274 Cb 0.00 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.82 1jj2 s GLU 274 CO 0.00 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1jj2 n GLY 275 N 2.02 0.61 0.33 -1.50 0.00 -0.11 -4.79 105.19 101.75 1jj2 n GLY 275 Ca -0.15 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.75 1jj2 n GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jj2 n ASP 276 N 0.00 2.62 -0.17 1.61 5.75 -1.26 -1.41 116.55 123.70 1jj2 n ASP 276 Ca 0.00 -2.39 0.13 0.00 -0.01 0.00 0.00 54.79 52.52 1jj2 n ASP 276 Cb 0.00 -0.24 0.46 0.00 -1.03 0.00 0.00 41.12 40.31 1jj2 n ASP 276 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1jj2 h GLU 277 N 0.83 0.49 0.00 0.11 5.08 -1.87 -2.30 114.58 116.93 1jj2 h GLU 277 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jj2 h GLU 277 Cb 0.82 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1jj2 h GLU 277 CO 0.04 0.33 -0.49 -0.35 -1.00 0.00 0.00 179.01 177.53 1jj2 n PRO 278 N -4.49 0.06 -2.01 2.33 -0.04 -1.26 -4.89 135.00 124.69 1jj2 n PRO 278 Ca 0.14 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 1jj2 n PRO 278 Cb 0.45 -1.53 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1jj2 n PRO 278 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1jj2 s THR 279 N -3.03 2.59 0.09 0.52 2.01 -0.87 -4.87 115.64 112.08 1jj2 s THR 279 Ca 0.10 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.45 1jj2 s THR 279 Cb 0.17 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1jj2 s THR 279 CO 0.69 -0.05 0.33 -0.69 -0.69 0.00 0.00 174.62 174.21 1jj2 s VAL 280 N -1.51 5.22 0.36 3.82 1.01 -1.26 -4.58 120.40 123.45 1jj2 s VAL 280 Ca 0.73 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 1jj2 s VAL 280 Cb -0.32 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 1jj2 s VAL 280 CO 0.37 0.17 1.53 -1.81 0.00 0.00 0.00 175.10 175.36 1jj2 s ASP 281 N -2.16 6.32 0.00 3.32 1.01 0.42 -0.92 116.67 124.66 1jj2 s ASP 281 Ca 0.36 3.05 0.00 0.00 0.71 0.00 0.00 52.55 56.66 1jj2 s ASP 281 Cb -0.13 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.14 1jj2 s ASP 281 CO 0.22 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.30 1jj2 n GLY 282 N 0.94 3.04 0.00 0.21 0.00 -1.26 -4.06 105.19 104.06 1jj2 n GLY 282 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jj2 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 283 N -2.00 1.16 3.70 -0.02 0.00 -0.10 -4.91 105.19 103.01 1jj2 n GLY 283 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1jj2 n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jj2 s PHE 284 N -2.67 2.67 0.19 1.61 0.40 0.02 -4.72 117.98 115.47 1jj2 s PHE 284 Ca 0.00 0.49 -0.33 0.00 -0.60 0.00 0.00 56.93 56.49 1jj2 s PHE 284 Cb 0.00 -3.90 -0.13 0.00 0.51 0.00 0.00 43.02 39.50 1jj2 s PHE 284 CO 0.00 -3.49 1.60 0.28 0.70 0.00 0.00 175.22 174.31 1jj2 n VAL 285 N 4.51 0.16 -1.34 -0.44 0.31 -1.26 -1.11 118.33 119.16 1jj2 n VAL 285 Ca 0.15 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.32 1jj2 n VAL 285 Cb 0.41 -1.66 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 1jj2 n VAL 285 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jj2 n ASN 286 N 3.34 -5.37 0.00 4.52 3.02 -1.26 -4.77 115.26 114.73 1jj2 n ASN 286 Ca 0.16 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1jj2 n ASN 286 Cb 0.31 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1jj2 n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jj2 n TYR 287 N -2.34 0.00 -0.63 3.10 9.36 -0.27 -4.92 117.16 121.46 1jj2 n TYR 287 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1jj2 n TYR 287 Cb 0.55 0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.37 1jj2 n TYR 287 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jj2 n GLY 288 N 2.67 0.52 3.82 2.98 0.00 -0.65 -4.71 105.19 109.83 1jj2 n GLY 288 Ca 0.00 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1jj2 n GLY 288 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jj2 s GLU 289 N -2.00 3.47 -0.16 1.61 2.02 -1.26 -0.80 118.70 121.57 1jj2 s GLU 289 Ca 0.00 -0.20 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 1jj2 s GLU 289 Cb 0.00 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1jj2 s GLU 289 CO 0.00 0.69 0.14 0.08 0.02 0.00 0.00 175.26 176.19 1jj2 s VAL 290 N -0.80 5.46 -0.44 2.63 1.01 -1.26 -4.74 120.40 122.26 1jj2 s VAL 290 Ca 0.13 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1jj2 s VAL 290 Cb -0.12 -3.44 0.23 0.00 0.00 0.00 0.00 36.38 33.05 1jj2 s VAL 290 CO 0.03 0.53 0.95 -0.67 0.00 0.00 0.00 175.10 175.95 1jj2 n ASP 291 N 2.74 -2.46 0.00 3.32 2.03 -1.18 -4.10 116.55 116.89 1jj2 n ASP 291 Ca -0.18 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 52.73 1jj2 n ASP 291 Cb 0.54 1.36 0.00 0.00 -0.72 0.00 0.00 41.12 42.30 1jj2 n ASP 291 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jj2 n GLY 292 N 2.20 -0.70 3.68 0.27 0.00 -0.50 -4.69 105.19 105.45 1jj2 n GLY 292 Ca 0.11 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1jj2 n GLY 292 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jj2 n PRO 293 N 0.00 2.77 -4.16 1.61 -0.02 -1.26 -0.94 135.00 133.00 1jj2 n PRO 293 Ca 0.00 1.01 -0.10 0.00 -2.02 0.00 0.00 63.50 62.39 1jj2 n PRO 293 Cb 0.00 -2.92 -0.10 0.00 -0.02 0.00 0.00 33.50 30.46 1jj2 n PRO 293 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1jj2 s TYR 294 N 3.18 0.91 -0.02 6.00 -0.85 -0.44 -0.84 117.35 125.28 1jj2 s TYR 294 Ca 0.84 -1.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.23 1jj2 s TYR 294 Cb -0.48 -0.52 0.01 0.00 0.38 0.00 0.00 41.96 41.35 1jj2 s TYR 294 CO 0.39 -0.45 -0.05 0.99 -1.52 0.00 0.00 175.55 174.92 1jj2 s THR 295 N -3.96 0.46 -0.31 -3.49 2.01 -0.17 -1.56 115.64 108.62 1jj2 s THR 295 Ca 0.23 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 1jj2 s THR 295 Cb 0.07 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1jj2 s THR 295 CO 0.01 0.17 0.16 -0.76 -0.69 0.00 0.00 174.62 173.51 1jj2 s LEU 296 N 0.39 4.09 -0.17 4.42 1.43 0.22 -1.26 118.68 127.79 1jj2 s LEU 296 Ca -0.05 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1jj2 s LEU 296 Cb -0.08 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1jj2 s LEU 296 CO -0.00 -0.17 0.10 -0.69 0.23 0.00 0.00 176.35 175.82 1jj2 s VAL 297 N 1.64 5.13 0.18 -1.59 1.01 -0.63 -1.27 120.40 124.88 1jj2 s VAL 297 Ca 0.05 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 1jj2 s VAL 297 Cb -0.17 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1jj2 s VAL 297 CO 0.07 0.48 1.58 -0.75 0.00 0.00 0.00 175.10 176.49 1jj2 s LYS 298 N 0.08 4.20 3.90 2.72 2.20 -0.19 -0.83 119.74 131.83 1jj2 s LYS 298 Ca 0.07 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1jj2 s LYS 298 Cb -0.12 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1jj2 s LYS 298 CO -0.00 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 1jj2 n GLY 299 N 3.61 0.27 3.77 5.54 0.00 -0.10 -4.62 105.19 113.67 1jj2 n GLY 299 Ca 0.13 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1jj2 n GLY 299 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj2 s SER 300 N -4.00 5.15 -0.02 1.61 1.04 -1.26 -3.15 113.70 113.07 1jj2 s SER 300 Ca 0.00 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1jj2 s SER 300 Cb 0.00 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1jj2 s SER 300 CO 0.00 -0.11 -0.07 -0.69 0.98 0.00 0.00 173.24 173.34 1jj2 s VAL 301 N -2.24 0.62 0.71 5.02 1.01 -1.26 -5.03 120.40 119.23 1jj2 s VAL 301 Ca 0.34 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1jj2 s VAL 301 Cb -0.07 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1jj2 s VAL 301 CO 0.24 0.19 1.26 -2.16 0.00 0.00 0.00 175.10 174.63 1jj2 s PRO 302 N 0.10 2.19 0.00 2.72 0.04 -1.26 -4.86 135.00 133.94 1jj2 s PRO 302 Ca -0.01 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1jj2 s PRO 302 Cb -0.06 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1jj2 s PRO 302 CO -0.00 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1jj2 n GLY 303 N 0.71 0.96 3.98 0.56 0.00 -1.24 -4.72 105.19 105.44 1jj2 n GLY 303 Ca 0.15 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 1jj2 n GLY 303 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jj2 s PRO 304 N -2.63 2.40 0.34 1.61 0.04 -1.26 -4.66 135.00 130.84 1jj2 s PRO 304 Ca 0.00 -0.92 -0.29 0.00 0.04 0.00 0.00 61.00 59.83 1jj2 s PRO 304 Cb 0.00 -2.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.94 1jj2 s PRO 304 CO 0.00 -0.81 1.53 -0.25 0.04 0.00 0.00 177.00 177.51 1jj2 n ASP 305 N -2.38 3.77 0.00 6.66 8.00 -1.26 -1.89 116.55 129.44 1jj2 n ASP 305 Ca 0.10 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1jj2 n ASP 305 Cb 0.60 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1jj2 n ASP 305 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jj2 n LYS 306 N 1.25 0.00 -2.41 -1.24 5.02 0.62 -4.97 118.16 116.42 1jj2 n LYS 306 Ca 0.05 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.99 1jj2 n LYS 306 Cb 0.38 -0.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.88 1jj2 n LYS 306 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jj2 s ARG 307 N -0.56 3.67 0.08 1.97 3.52 -0.79 -4.60 118.95 122.23 1jj2 s ARG 307 Ca 0.00 1.51 -0.30 0.00 -0.13 0.00 0.00 55.73 56.80 1jj2 s ARG 307 Cb 0.00 -2.13 -0.06 0.00 -1.56 0.00 0.00 34.95 31.20 1jj2 s ARG 307 CO 0.00 -0.57 1.15 -1.17 -0.81 0.00 0.00 175.30 173.90 1jj2 s LEU 308 N -3.48 4.40 0.11 -0.88 2.96 -1.26 -1.90 118.68 118.63 1jj2 s LEU 308 Ca 0.68 2.00 0.09 0.00 -0.22 0.00 0.00 54.13 56.68 1jj2 s LEU 308 Cb -0.21 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1jj2 s LEU 308 CO 0.25 -0.39 -0.24 0.68 -1.32 0.00 0.00 176.35 175.33 1jj2 s VAL 309 N 0.75 1.97 -0.03 1.68 -7.23 0.01 -4.65 120.40 112.90 1jj2 s VAL 309 Ca 0.56 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.15 1jj2 s VAL 309 Cb -0.29 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1jj2 s VAL 309 CO 0.30 0.03 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.83 1jj2 s ARG 310 N -1.94 2.39 0.05 4.82 0.52 -0.86 -1.74 118.95 122.20 1jj2 s ARG 310 Ca 0.10 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.58 1jj2 s ARG 310 Cb -0.10 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 1jj2 s ARG 310 CO 0.05 0.60 -0.03 -0.06 0.02 0.00 0.00 175.30 175.89 1jj2 s PHE 311 N -0.75 2.95 -0.20 -0.53 0.40 0.17 -1.40 117.98 118.62 1jj2 s PHE 311 Ca 0.12 -0.02 -0.18 0.00 -0.60 0.00 0.00 56.93 56.24 1jj2 s PHE 311 Cb -0.10 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 41.91 1jj2 s PHE 311 CO 0.01 0.45 0.53 0.50 0.70 0.00 0.00 175.22 177.40 1jj2 s ARG 312 N -1.95 0.61 0.20 0.44 3.52 -0.72 -1.55 118.95 119.50 1jj2 s ARG 312 Ca 0.22 0.75 -0.33 0.00 -0.13 0.00 0.00 55.73 56.24 1jj2 s ARG 312 Cb -0.11 0.29 -0.13 0.00 -1.56 0.00 0.00 34.95 33.44 1jj2 s ARG 312 CO 0.14 -0.08 1.66 -2.30 -0.81 0.00 0.00 175.30 173.91 1jj2 n PRO 313 N 2.87 2.55 -1.48 5.12 -0.02 -1.26 0.79 135.00 143.56 1jj2 n PRO 313 Ca -0.14 0.92 -0.53 0.00 -2.02 0.00 0.00 63.50 61.73 1jj2 n PRO 313 Cb 0.56 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1jj2 n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jj2 n ALA 314 N 3.67 -2.84 0.38 3.55 0.00 -0.52 -4.61 120.51 120.14 1jj2 n ALA 314 Ca 0.16 0.52 0.11 0.00 0.00 0.00 0.00 53.44 54.23 1jj2 n ALA 314 Cb 0.33 -1.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.01 1jj2 n ALA 314 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jj2 n VAL 315 N 1.00 0.26 -3.04 0.00 0.24 -1.26 -4.59 118.33 110.94 1jj2 n VAL 315 Ca 0.18 -0.35 -0.18 0.00 -2.04 0.00 0.00 64.34 61.95 1jj2 n VAL 315 Cb 0.17 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 1jj2 n VAL 315 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1jj2 n ARG 316 N -2.18 0.66 -2.44 7.34 1.85 -1.26 -4.95 116.66 115.68 1jj2 n ARG 316 Ca 0.01 -2.65 -0.34 0.00 -1.00 0.00 0.00 57.85 53.87 1jj2 n ARG 316 Cb 0.48 -1.36 -0.03 0.00 -1.05 0.00 0.00 32.46 30.50 1jj2 n ARG 316 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1jj2 s PRO 317 N -0.29 3.73 -0.21 2.89 0.02 -1.26 -4.86 135.00 135.01 1jj2 s PRO 317 Ca 0.33 1.29 0.11 0.00 0.02 0.00 0.00 61.00 62.76 1jj2 s PRO 317 Cb 0.16 -2.09 -0.21 0.00 0.02 0.00 0.00 34.50 32.39 1jj2 s PRO 317 CO -0.16 -0.49 -0.04 0.09 -0.33 0.00 0.00 177.00 176.07 1jj2 n ASN 318 N -1.21 0.94 -4.73 2.53 3.02 -1.26 -5.00 115.26 109.54 1jj2 n ASN 318 Ca 0.09 -0.05 -0.22 0.00 -0.03 0.00 0.00 54.58 54.36 1jj2 n ASN 318 Cb 0.53 0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 40.10 1jj2 n ASN 318 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1jj2 s ASP 319 N -5.76 4.94 0.37 6.41 1.01 -1.26 -5.12 116.67 117.26 1jj2 s ASP 319 Ca -0.19 -0.53 -0.18 0.00 0.71 0.00 0.00 52.55 52.37 1jj2 s ASP 319 Cb 0.07 -1.01 -0.10 0.00 1.01 0.00 0.00 42.92 42.89 1jj2 s ASP 319 CO 0.71 -0.09 0.83 -1.58 0.21 0.00 0.00 175.17 175.24 1jj2 s GLN 320 N -3.78 4.10 0.37 8.23 2.00 -1.26 -5.01 119.66 124.30 1jj2 s GLN 320 Ca 0.34 0.86 -0.28 0.00 -2.00 0.00 0.00 55.36 54.28 1jj2 s GLN 320 Cb -0.06 -2.32 -0.10 0.00 0.80 0.00 0.00 33.01 31.33 1jj2 s GLN 320 CO 0.23 0.07 1.34 -2.14 -0.50 0.00 0.00 175.29 174.29 1jj2 s PRO 321 N -3.08 4.16 -0.52 1.67 0.02 -1.26 -4.97 135.00 131.03 1jj2 s PRO 321 Ca 0.58 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.89 1jj2 s PRO 321 Cb -0.10 -2.94 0.15 0.00 0.02 0.00 0.00 34.50 31.64 1jj2 s PRO 321 CO 0.16 -0.37 0.34 1.03 -0.33 0.00 0.00 177.00 177.83 1jj2 s ARG 322 N -2.01 1.59 0.84 5.54 0.52 -1.25 -5.06 118.95 119.12 1jj2 s ARG 322 Ca 0.53 -2.47 -0.14 0.00 -0.52 0.00 0.00 55.73 53.13 1jj2 s ARG 322 Cb -0.40 -2.51 0.03 0.00 0.52 0.00 0.00 34.95 32.59 1jj2 s ARG 322 CO 0.53 -1.25 0.71 1.28 0.02 0.00 0.00 175.30 176.59 1jj2 n LEU 323 N 2.89 1.58 -2.52 2.53 4.77 -1.26 -4.35 117.00 120.64 1jj2 n LEU 323 Ca 0.16 0.48 -0.15 0.00 -0.03 0.00 0.00 56.01 56.48 1jj2 n LEU 323 Cb 0.37 -1.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1jj2 n LEU 323 CO 0.22 -2.86 -0.12 0.47 -1.33 0.00 0.00 177.39 173.77 1jj2 n ASP 324 N -1.72 -2.29 -4.77 -1.43 9.92 0.05 -4.88 116.55 111.42 1jj2 n ASP 324 Ca 0.10 -0.23 -0.38 0.00 -0.53 0.00 0.00 54.79 53.75 1jj2 n ASP 324 Cb 0.51 -0.70 -0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1jj2 n ASP 324 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1jj2 s PRO 325 N -2.03 3.83 -0.14 -0.24 0.02 -1.26 -4.95 135.00 130.23 1jj2 s PRO 325 Ca 0.10 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.83 1jj2 s PRO 325 Cb -0.01 -2.59 -0.02 0.00 0.02 0.00 0.00 34.50 31.91 1jj2 s PRO 325 CO 0.39 -0.56 1.21 -2.00 -0.33 0.00 0.00 177.00 175.72 1jj2 s GLU 326 N -2.45 4.28 -0.37 5.54 2.12 -1.26 -4.99 118.70 121.57 1jj2 s GLU 326 Ca 0.60 1.63 -0.12 0.00 0.36 0.00 0.00 54.97 57.44 1jj2 s GLU 326 Cb -0.34 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.37 1jj2 s GLU 326 CO 0.43 -0.61 0.22 0.08 -0.54 0.00 0.00 175.26 174.84 1jj2 s VAL 327 N 3.04 4.87 -0.19 3.70 1.01 -1.26 -2.16 120.40 129.40 1jj2 s VAL 327 Ca 0.54 -0.62 0.20 0.00 0.00 0.00 0.00 61.98 62.10 1jj2 s VAL 327 Cb -0.22 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1jj2 s VAL 327 CO 0.16 -0.16 0.97 0.03 0.00 0.00 0.00 175.10 176.10 1jj2 h ARG 328 N 8.48 0.00 -2.06 2.72 3.08 -1.48 -3.48 114.38 121.63 1jj2 h ARG 328 Ca -0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1jj2 h ARG 328 Cb 1.12 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.96 1jj2 h ARG 328 CO 0.67 0.11 0.06 -0.47 -1.07 0.00 0.00 179.97 179.26 1jj2 s TYR 329 N -3.20 -0.86 -0.17 3.04 5.04 -1.13 -4.94 117.35 115.13 1jj2 s TYR 329 Ca -0.01 1.94 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 1jj2 s TYR 329 Cb 0.09 0.39 0.02 0.00 0.35 0.00 0.00 41.96 42.82 1jj2 s TYR 329 CO 0.80 -0.42 -0.17 0.08 -1.34 0.00 0.00 175.55 174.50 1jj2 s VAL 330 N 0.85 1.86 0.16 3.14 1.01 -1.26 0.65 120.40 126.81 1jj2 s VAL 330 Ca -0.04 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1jj2 s VAL 330 Cb -0.05 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.53 1jj2 s VAL 330 CO -0.07 0.46 1.18 -0.55 0.00 0.00 0.00 175.10 176.12 1jj2 s SER 331 N 1.36 7.12 -0.03 3.32 0.15 -0.70 -4.90 113.70 120.03 1jj2 s SER 331 Ca 0.04 2.17 0.04 0.00 0.70 0.00 0.00 55.95 58.90 1jj2 s SER 331 Cb -0.13 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.64 1jj2 s SER 331 CO -0.12 -0.36 1.03 0.59 1.20 0.00 0.00 173.24 175.59 1jj2 n ASN 332 N 2.70 2.05 -4.77 5.45 3.02 -1.26 -4.67 115.26 117.78 1jj2 n ASN 332 Ca 0.05 -2.23 -0.41 0.00 -0.03 0.00 0.00 54.58 51.95 1jj2 n ASN 332 Cb 0.45 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.52 1jj2 n ASN 332 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1jj2 s GLU 333 N -1.41 4.10 0.36 3.52 2.12 -1.26 -0.44 118.70 125.69 1jj2 s GLU 333 Ca 0.07 2.60 -0.25 0.00 0.36 0.00 0.00 54.97 57.75 1jj2 s GLU 333 Cb 0.06 -2.98 -0.13 0.00 0.26 0.00 0.00 34.13 31.34 1jj2 s GLU 333 CO 0.01 -0.59 0.81 0.45 -0.54 0.00 0.00 175.26 175.39 1jj2 n SER 334 N 1.12 0.33 -0.60 -1.70 2.88 -1.26 -4.30 113.62 110.09 1jj2 n SER 334 Ca 0.04 1.05 0.11 0.00 -1.33 0.00 0.00 58.87 58.74 1jj2 n SER 334 Cb 0.38 -1.22 0.38 0.00 -0.75 0.00 0.00 64.21 63.00 1jj2 n SER 334 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jj2 n ASN 335 N 1.12 1.82 -4.34 -3.46 3.02 -1.26 -4.71 115.26 107.44 1jj2 n ASN 335 Ca 0.11 -1.71 -0.37 0.00 -0.03 0.00 0.00 54.58 52.58 1jj2 n ASN 335 Cb 0.36 -0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.30 1jj2 n ASN 335 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jj2 s GLN 336 N -1.80 3.08 0.00 3.52 -0.21 -1.26 -4.98 119.66 118.00 1jj2 s GLN 336 Ca 0.33 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1jj2 s GLN 336 Cb 0.18 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.82 1jj2 s GLN 336 CO 0.28 -0.45 0.00 0.41 -2.12 0.00 0.00 175.29 173.41