#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 n GLN 2 N 0.00 -3.69 -1.74 -0.52 1.13 -1.26 -4.97 117.38 106.34 3i56 n GLN 2 Ca 0.00 2.88 -0.40 0.00 -1.94 0.00 0.00 57.00 57.55 3i56 n GLN 2 Cb 0.00 -4.42 0.03 0.00 0.11 0.00 0.00 30.24 25.95 3i56 n GLN 2 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3i56 n PRO 3 N 1.28 1.95 -1.36 -1.09 -0.02 -1.26 -5.00 135.00 129.50 3i56 n PRO 3 Ca -0.30 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 3i56 n PRO 3 Cb 0.47 -2.53 0.08 0.00 -0.02 0.00 0.00 33.50 31.49 3i56 n PRO 3 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3i56 s SER 4 N -0.65 4.76 -0.29 2.55 0.01 -1.26 -5.08 113.70 113.75 3i56 s SER 4 Ca 0.65 1.74 -0.24 0.00 1.31 0.00 0.00 55.95 59.41 3i56 s SER 4 Cb -0.45 -2.50 0.14 0.00 0.21 0.00 0.00 66.02 63.41 3i56 s SER 4 CO 0.55 -1.86 1.10 -0.60 0.41 0.00 0.00 173.24 172.83 3i56 s ARG 5 N -4.95 0.42 0.65 12.44 3.52 -1.26 -5.16 118.95 124.61 3i56 s ARG 5 Ca 0.60 0.52 -0.16 0.00 -0.13 0.00 0.00 55.73 56.56 3i56 s ARG 5 Cb -0.16 0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.42 3i56 s ARG 5 CO 0.56 -0.05 1.12 -2.14 -0.81 0.00 0.00 175.30 173.98 3i56 s PRO 6 N 0.27 2.81 0.65 5.12 0.02 -1.26 -4.97 135.00 137.65 3i56 s PRO 6 Ca 0.03 1.46 -0.17 0.00 0.02 0.00 0.00 61.00 62.34 3i56 s PRO 6 Cb -0.05 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 3i56 s PRO 6 CO -0.08 -1.25 1.22 -0.98 -0.33 0.00 0.00 177.00 175.57 3i56 s ARG 7 N -3.96 2.60 -0.31 5.54 1.70 -1.26 -4.93 118.95 118.34 3i56 s ARG 7 Ca 0.69 1.82 -0.29 0.00 -0.47 0.00 0.00 55.73 57.48 3i56 s ARG 7 Cb -0.22 -1.88 0.01 0.00 -0.57 0.00 0.00 34.95 32.28 3i56 s ARG 7 CO 0.40 -1.49 1.26 0.15 -1.08 0.00 0.00 175.30 174.53 3i56 s LYS 8 N -3.58 3.93 0.05 3.89 -0.14 -1.26 -4.84 119.74 117.79 3i56 s LYS 8 Ca 0.77 1.18 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 3i56 s LYS 8 Cb -0.31 -3.86 0.00 0.00 -1.68 0.00 0.00 37.83 31.99 3i56 s LYS 8 CO 0.39 -1.10 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 3i56 n GLY 9 N 4.26 -2.54 3.86 -3.33 0.00 -1.19 -4.91 105.19 101.34 3i56 n GLY 9 Ca 0.14 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 3i56 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i56 s SER 10 N -4.48 6.71 0.00 1.61 0.15 -1.26 -4.99 113.70 111.44 3i56 s SER 10 Ca 0.00 0.87 0.27 0.00 0.70 0.00 0.00 55.95 57.79 3i56 s SER 10 Cb 0.00 -2.21 0.78 0.00 -1.71 0.00 0.00 66.02 62.88 3i56 s SER 10 CO 0.00 0.20 1.59 0.18 1.20 0.00 0.00 173.24 176.41 3i56 n LEU 11 N 1.12 1.94 0.21 3.45 4.32 -1.26 -4.25 117.00 122.52 3i56 n LEU 11 Ca -0.09 -0.64 0.11 0.00 -0.02 0.00 0.00 56.01 55.36 3i56 n LEU 11 Cb 0.52 -0.00 0.16 0.00 -1.62 0.00 0.00 43.42 42.48 3i56 n LEU 11 CO 0.41 0.32 0.78 1.23 -1.22 0.00 0.00 177.39 178.91 3i56 h GLY 12 N 4.81 0.00 -3.67 -0.72 0.00 -2.04 -3.29 103.07 98.16 3i56 h GLY 12 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3i56 h GLY 12 CO 0.00 0.00 0.49 0.69 0.00 0.00 0.00 176.54 177.72 3i56 n PHE 13 N -3.11 2.80 -4.05 5.60 3.01 -1.26 -5.00 117.46 115.45 3i56 n PHE 13 Ca 0.04 -2.30 -0.25 0.00 1.01 0.00 0.00 57.45 55.95 3i56 n PHE 13 Cb 0.55 -1.02 -0.04 0.00 -0.01 0.00 0.00 39.48 38.96 3i56 n PHE 13 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3i56 s GLY 14 N -1.91 1.59 0.34 1.37 0.00 -1.24 -4.16 107.32 103.31 3i56 s GLY 14 Ca 0.58 -1.23 -0.25 0.00 0.00 0.00 0.00 44.72 43.82 3i56 s GLY 14 CO 0.04 -1.24 0.95 2.56 0.00 0.00 0.00 173.10 175.41 3i56 s PRO 15 N -3.39 4.50 -1.10 2.90 0.04 -1.26 -5.06 135.00 131.63 3i56 s PRO 15 Ca 0.32 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 3i56 s PRO 15 Cb -0.10 -2.69 -0.08 0.00 0.04 0.00 0.00 34.50 31.68 3i56 s PRO 15 CO 0.25 0.20 2.53 0.54 0.04 0.00 0.00 177.00 180.56 3i56 n ARG 16 N 0.33 2.67 -3.56 4.56 3.00 -1.26 -4.88 116.66 117.51 3i56 n ARG 16 Ca 0.03 -1.68 -0.21 0.00 -0.01 0.00 0.00 57.85 55.98 3i56 n ARG 16 Cb 0.51 -2.53 -0.03 0.00 0.00 0.00 0.00 32.46 30.41 3i56 n ARG 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3i56 s LYS 17 N 2.72 2.51 0.47 5.56 -2.85 -1.26 -4.25 119.74 122.64 3i56 s LYS 17 Ca 0.53 -1.57 -0.24 0.00 -1.00 0.00 0.00 55.97 53.69 3i56 s LYS 17 Cb 0.15 -2.37 -0.07 0.00 -2.06 0.00 0.00 37.83 33.48 3i56 s LYS 17 CO -0.04 -0.24 1.28 1.03 0.10 0.00 0.00 175.35 177.48 3i56 s ARG 18 N -4.15 3.65 0.42 1.78 0.52 -1.26 -4.71 118.95 115.20 3i56 s ARG 18 Ca 0.48 2.07 -0.24 0.00 -0.52 0.00 0.00 55.73 57.51 3i56 s ARG 18 Cb -0.03 -2.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 3i56 s ARG 18 CO 0.28 -0.73 1.18 0.45 0.02 0.00 0.00 175.30 176.50 3i56 s SER 19 N -0.99 6.35 0.01 0.23 0.15 -0.36 -4.97 113.70 114.12 3i56 s SER 19 Ca 0.63 2.37 -0.20 0.00 0.70 0.00 0.00 55.95 59.45 3i56 s SER 19 Cb -0.36 -2.61 -0.20 0.00 -1.71 0.00 0.00 66.02 61.14 3i56 s SER 19 CO 0.44 -0.80 1.16 0.74 1.20 0.00 0.00 173.24 175.99 3i56 h THR 20 N 2.16 1.42 -3.58 6.45 2.02 -1.94 -3.44 112.91 116.00 3i56 h THR 20 Ca -0.49 -1.84 -0.68 0.00 0.77 0.00 0.00 66.41 64.17 3i56 h THR 20 Cb 1.24 2.39 -0.30 0.00 -1.74 0.00 0.00 68.15 69.74 3i56 h THR 20 CO 0.62 0.54 -0.83 -0.44 0.37 0.00 0.00 175.52 175.77 3i56 s SER 21 N -6.53 3.47 0.51 4.18 0.01 -1.26 -4.99 113.70 109.09 3i56 s SER 21 Ca -0.14 -0.44 0.30 0.00 1.31 0.00 0.00 55.95 56.98 3i56 s SER 21 Cb 0.04 -1.27 1.10 0.00 0.21 0.00 0.00 66.02 66.11 3i56 s SER 21 CO 0.79 0.20 1.89 -0.08 0.41 0.00 0.00 173.24 176.46 3i56 h GLU 22 N 6.40 0.00 -5.48 12.44 4.81 -2.01 -3.40 114.58 127.34 3i56 h GLU 22 Ca -0.27 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.35 3i56 h GLU 22 Cb 1.21 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.47 3i56 h GLU 22 CO 0.50 0.06 0.13 0.99 -0.73 0.00 0.00 179.01 179.96 3i56 s THR 23 N -3.59 5.00 0.48 0.32 2.01 -1.26 -4.57 115.64 114.02 3i56 s THR 23 Ca 0.02 1.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.85 3i56 s THR 23 Cb 0.09 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 3i56 s THR 23 CO 0.59 0.03 1.39 -2.84 -0.69 0.00 0.00 174.62 173.10 3i56 s PRO 24 N 2.47 3.54 -0.23 4.92 0.02 -1.26 -5.04 135.00 139.42 3i56 s PRO 24 Ca 0.25 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.63 3i56 s PRO 24 Cb -0.15 -2.54 0.05 0.00 0.02 0.00 0.00 34.50 31.88 3i56 s PRO 24 CO 0.09 -0.91 -0.13 1.03 -0.33 0.00 0.00 177.00 176.75 3i56 s ARG 25 N -2.58 2.33 0.26 5.54 1.81 -1.26 -4.99 118.95 120.05 3i56 s ARG 25 Ca 0.64 -1.10 -0.30 0.00 -1.72 0.00 0.00 55.73 53.25 3i56 s ARG 25 Cb -0.42 -2.70 -0.09 0.00 -0.45 0.00 0.00 34.95 31.29 3i56 s ARG 25 CO 0.53 -0.46 1.26 -0.06 -0.68 0.00 0.00 175.30 175.89 3i56 s PHE 26 N 1.22 3.26 -1.22 -0.53 0.40 -1.26 -4.94 117.98 114.91 3i56 s PHE 26 Ca -0.04 1.39 0.14 0.00 -0.60 0.00 0.00 56.93 57.82 3i56 s PHE 26 Cb -0.18 -3.56 -0.02 0.00 0.51 0.00 0.00 43.02 39.78 3i56 s PHE 26 CO -0.08 -1.59 0.76 0.27 0.70 0.00 0.00 175.22 175.29 3i56 n ASN 27 N 1.74 1.40 -4.09 1.36 0.23 -1.26 -4.97 115.26 109.66 3i56 n ASN 27 Ca 0.03 -1.20 -0.18 0.00 -0.53 0.00 0.00 54.58 52.70 3i56 n ASN 27 Cb 0.43 0.52 -0.13 0.00 -2.08 0.00 0.00 39.78 38.52 3i56 n ASN 27 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3i56 s SER 28 N -1.76 1.31 0.08 0.53 0.15 -1.26 -5.16 113.70 107.58 3i56 s SER 28 Ca 0.11 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.38 3i56 s SER 28 Cb 0.11 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 3i56 s SER 28 CO 0.37 -0.02 -0.12 0.26 1.20 0.00 0.00 173.24 174.94 3i56 s TRP 29 N -0.85 1.08 1.08 3.44 0.52 -1.26 -5.07 118.94 117.87 3i56 s TRP 29 Ca -0.01 -0.52 -0.12 0.00 0.02 0.00 0.00 56.10 55.46 3i56 s TRP 29 Cb -0.07 -0.60 0.24 0.00 -1.15 0.00 0.00 33.47 31.88 3i56 s TRP 29 CO 0.01 0.02 1.06 -2.14 0.02 0.00 0.00 176.95 175.92 3i56 s PRO 30 N -2.04 -0.25 0.47 4.98 0.02 -1.26 -5.00 135.00 131.93 3i56 s PRO 30 Ca -0.01 0.75 -0.13 0.00 0.02 0.00 0.00 61.00 61.64 3i56 s PRO 30 Cb -0.08 -1.64 -0.07 0.00 0.02 0.00 0.00 34.50 32.74 3i56 s PRO 30 CO 0.01 -3.25 0.88 -1.54 -0.33 0.00 0.00 177.00 172.78 3i56 s SER 31 N -2.91 6.53 -0.69 2.53 1.04 -1.26 -5.02 113.70 113.92 3i56 s SER 31 Ca 0.67 1.33 -0.25 0.00 0.48 0.00 0.00 55.95 58.18 3i56 s SER 31 Cb -0.22 -2.41 0.05 0.00 0.10 0.00 0.00 66.02 63.53 3i56 s SER 31 CO 0.61 -0.52 1.14 -1.81 0.98 0.00 0.00 173.24 173.64 3i56 s ASP 32 N -3.24 6.19 0.00 7.02 1.01 -1.26 -4.81 116.67 121.58 3i56 s ASP 32 Ca 0.55 -0.62 0.00 0.00 0.71 0.00 0.00 52.55 53.18 3i56 s ASP 32 Cb -0.10 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3i56 s ASP 32 CO 0.34 -1.64 0.00 0.47 0.21 0.00 0.00 175.17 174.54 3i56 n ASP 33 N 8.61 0.00 -0.31 0.27 8.00 -1.21 -4.83 116.55 127.07 3i56 n ASP 33 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3i56 n ASP 33 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3i56 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i56 n GLY 34 N 4.44 -1.76 3.76 0.44 0.00 -1.26 -4.46 105.19 106.35 3i56 n GLY 34 Ca 0.00 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 3i56 n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i56 s GLN 35 N 0.00 4.49 0.23 1.61 -0.21 -1.26 -2.89 119.66 121.63 3i56 s GLN 35 Ca 0.00 2.03 -0.31 0.00 0.02 0.00 0.00 55.36 57.09 3i56 s GLN 35 Cb 0.00 -3.13 -0.14 0.00 1.00 0.00 0.00 33.01 30.74 3i56 s GLN 35 CO 0.00 -0.00 1.32 -2.30 -2.12 0.00 0.00 175.29 172.18 3i56 n PRO 36 N 0.98 1.76 -3.61 2.91 -0.02 -1.26 -4.68 135.00 131.09 3i56 n PRO 36 Ca -0.01 0.63 -0.07 0.00 -2.02 0.00 0.00 63.50 62.03 3i56 n PRO 36 Cb 0.43 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3i56 n PRO 36 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i56 s GLY 37 N 0.15 -0.37 -0.08 -1.23 0.00 -0.52 -4.99 107.32 100.28 3i56 s GLY 37 Ca 0.69 0.52 -0.30 0.00 0.00 0.00 0.00 44.72 45.63 3i56 s GLY 37 CO 0.51 0.16 1.20 0.14 0.00 0.00 0.00 173.10 175.11 3i56 s VAL 38 N -3.31 4.29 -0.26 1.40 1.01 -1.26 -2.51 120.40 119.76 3i56 s VAL 38 Ca 0.08 1.60 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 3i56 s VAL 38 Cb -0.01 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 3i56 s VAL 38 CO -0.04 -0.02 3.20 0.00 0.00 0.00 0.00 175.10 178.23 3i56 n GLN 39 N 5.41 2.25 0.00 2.72 6.02 0.17 -4.85 117.38 129.10 3i56 n GLN 39 Ca 0.11 -1.69 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 3i56 n GLN 39 Cb 0.46 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.63 3i56 n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i56 n GLY 40 N 1.73 3.63 1.88 1.08 0.00 -1.26 -4.44 105.19 107.82 3i56 n GLY 40 Ca 0.47 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3i56 n GLY 40 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i56 n PHE 41 N -1.30 -0.63 -3.59 1.61 7.35 -1.07 -4.98 117.46 114.86 3i56 n PHE 41 Ca 0.00 -1.55 -0.12 0.00 -0.76 0.00 0.00 57.45 55.02 3i56 n PHE 41 Cb 0.00 0.21 -0.05 0.00 0.35 0.00 0.00 39.48 40.00 3i56 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i56 s ALA 42 N -2.64 -1.17 0.00 3.13 0.00 -1.26 -0.27 121.76 119.55 3i56 s ALA 42 Ca 0.21 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3i56 s ALA 42 Cb 0.01 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3i56 s ALA 42 CO 0.15 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3i56 n GLY 43 N 0.09 3.48 2.91 0.00 0.00 -0.84 -4.62 105.19 106.21 3i56 n GLY 43 Ca -0.17 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 3i56 n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i56 s TYR 44 N -3.92 1.32 0.21 1.61 1.51 0.19 -2.15 117.35 116.13 3i56 s TYR 44 Ca 0.00 -0.59 -0.32 0.00 -1.01 0.00 0.00 57.07 55.15 3i56 s TYR 44 Cb 0.00 -1.11 -0.13 0.00 -0.11 0.00 0.00 41.96 40.62 3i56 s TYR 44 CO 0.00 -0.42 1.64 1.17 -1.11 0.00 0.00 175.55 176.83 3i56 n LYS 45 N 4.69 2.55 -0.10 -0.62 4.81 -0.39 -1.03 118.16 128.08 3i56 n LYS 45 Ca -0.15 0.92 -0.20 0.00 -0.87 0.00 0.00 58.31 58.01 3i56 n LYS 45 Cb 0.50 -2.72 -0.07 0.00 0.02 0.00 0.00 35.03 32.76 3i56 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i56 n ALA 46 N 3.37 1.68 0.00 3.14 0.00 0.01 -1.10 120.51 127.61 3i56 n ALA 46 Ca 0.15 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3i56 n ALA 46 Cb 0.33 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i56 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 47 N 1.90 -1.14 3.36 0.00 0.00 -1.07 -4.80 105.19 103.44 3i56 n GLY 47 Ca -0.38 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 3i56 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i56 s MET 48 N -2.00 1.61 0.15 1.61 -1.94 -1.26 0.93 119.30 118.40 3i56 s MET 48 Ca 0.00 -1.22 -0.18 0.00 -1.71 0.00 0.00 55.69 52.58 3i56 s MET 48 Cb 0.00 -1.93 0.04 0.00 2.01 0.00 0.00 34.83 34.95 3i56 s MET 48 CO 0.00 0.48 0.49 0.95 -0.01 0.00 0.00 175.02 176.93 3i56 s THR 49 N -0.92 0.04 0.13 2.05 -4.23 -0.61 -4.97 115.64 107.13 3i56 s THR 49 Ca 0.13 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 3i56 s THR 49 Cb -0.10 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 3i56 s THR 49 CO 0.04 -0.18 0.19 -1.38 -0.54 0.00 0.00 174.62 172.75 3i56 s HIS 50 N -3.80 3.33 0.02 3.99 -3.43 -1.26 -1.45 115.29 112.69 3i56 s HIS 50 Ca 0.04 0.08 0.05 0.00 -0.80 0.00 0.00 55.06 54.43 3i56 s HIS 50 Cb 0.00 -1.62 -0.02 0.00 -1.43 0.00 0.00 32.58 29.52 3i56 s HIS 50 CO -0.10 0.53 -0.16 0.54 -2.00 0.00 0.00 174.74 173.55 3i56 s VAL 51 N -1.65 1.25 -0.15 -5.38 0.11 -0.38 -1.23 120.40 112.96 3i56 s VAL 51 Ca 0.32 -0.93 -0.12 0.00 -2.93 0.00 0.00 61.98 58.33 3i56 s VAL 51 Cb -0.11 -1.09 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 3i56 s VAL 51 CO 0.26 0.15 0.24 -0.69 -3.33 0.00 0.00 175.10 171.72 3i56 s VAL 52 N -0.69 5.34 0.27 2.04 1.01 0.29 -0.53 120.40 128.13 3i56 s VAL 52 Ca 0.04 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.50 3i56 s VAL 52 Cb -0.07 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 3i56 s VAL 52 CO 0.01 0.45 -0.00 -0.76 0.00 0.00 0.00 175.10 174.80 3i56 s LEU 53 N 0.10 2.26 -0.19 3.92 1.02 0.16 -1.76 118.68 124.18 3i56 s LEU 53 Ca 0.15 -1.25 -0.06 0.00 0.02 0.00 0.00 54.13 52.98 3i56 s LEU 53 Cb -0.13 -0.40 -0.03 0.00 0.02 0.00 0.00 46.19 45.66 3i56 s LEU 53 CO 0.03 -0.49 0.02 -0.69 0.02 0.00 0.00 176.35 175.24 3i56 s VAL 54 N -3.28 4.27 -0.12 -1.59 1.01 -1.16 -0.87 120.40 118.67 3i56 s VAL 54 Ca 0.31 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3i56 s VAL 54 Cb 0.06 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 3i56 s VAL 54 CO 0.11 0.44 2.11 -3.20 0.00 0.00 0.00 175.10 174.56 3i56 n ASN 55 N 3.98 3.60 0.08 3.32 2.85 -1.07 -4.61 115.26 123.40 3i56 n ASN 55 Ca -0.17 0.51 -0.16 0.00 -0.11 0.00 0.00 54.58 54.66 3i56 n ASN 55 Cb 0.52 -1.53 -0.14 0.00 1.24 0.00 0.00 39.78 39.87 3i56 n ASN 55 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3i56 h ASP 56 N 13.03 0.38 -1.79 1.20 3.32 -1.94 -2.68 116.42 127.95 3i56 h ASP 56 Ca -0.44 -0.46 -0.62 0.00 0.02 0.00 0.00 57.03 55.53 3i56 h ASP 56 Cb 1.24 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3i56 h ASP 56 CO 0.95 1.37 1.29 1.21 -1.72 0.00 0.00 179.24 182.34 3i56 n GLU 57 N -3.48 1.87 0.25 3.56 2.13 -1.26 -4.90 120.64 118.80 3i56 n GLU 57 Ca -0.11 0.61 0.09 0.00 0.66 0.00 0.00 57.16 58.41 3i56 n GLU 57 Cb 1.03 -2.76 0.64 0.00 0.27 0.00 0.00 31.44 30.62 3i56 n GLU 57 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3i56 h PRO 58 N 11.56 0.00 -0.01 5.31 0.13 -2.01 -2.84 132.00 144.15 3i56 h PRO 58 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3i56 h PRO 58 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3i56 h PRO 58 CO 0.97 0.13 -0.16 0.09 -0.23 0.00 0.00 178.00 178.79 3i56 n ASN 59 N -4.05 0.91 -4.75 1.44 3.02 -1.26 -4.86 115.26 105.70 3i56 n ASN 59 Ca -0.02 -0.89 -0.39 0.00 -0.03 0.00 0.00 54.58 53.24 3i56 n ASN 59 Cb 0.21 0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 3i56 n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i56 s SER 60 N -2.40 7.08 0.23 6.41 0.15 -1.07 -4.94 113.70 119.16 3i56 s SER 60 Ca 0.28 1.29 0.21 0.00 0.70 0.00 0.00 55.95 58.44 3i56 s SER 60 Cb 0.20 -2.42 0.94 0.00 -1.71 0.00 0.00 66.02 63.03 3i56 s SER 60 CO 0.47 0.03 1.65 -2.65 1.20 0.00 0.00 173.24 173.94 3i56 n PRO 61 N 2.93 0.16 -0.58 5.44 -0.02 -1.26 -2.12 135.00 139.55 3i56 n PRO 61 Ca -0.04 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 3i56 n PRO 61 Cb 0.51 -1.84 0.31 0.00 -0.02 0.00 0.00 33.50 32.46 3i56 n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i56 n ARG 62 N -2.14 3.55 -1.54 -0.52 1.74 -1.26 -4.97 116.66 111.52 3i56 n ARG 62 Ca 0.01 -2.47 -0.46 0.00 -0.77 0.00 0.00 57.85 54.17 3i56 n ARG 62 Cb 0.17 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 3i56 n ARG 62 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i56 n GLU 63 N 0.83 1.61 0.00 5.56 2.13 -0.90 -1.20 120.64 128.67 3i56 n GLU 63 Ca 0.22 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.47 3i56 n GLU 63 Cb 0.84 -2.95 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3i56 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i56 n GLY 64 N 6.08 0.89 3.90 8.31 0.00 -1.01 -4.96 105.19 118.41 3i56 n GLY 64 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 3i56 n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i56 s MET 65 N -0.60 3.01 0.25 1.61 -1.94 -0.34 -4.66 119.30 116.64 3i56 s MET 65 Ca 0.00 0.19 -0.30 0.00 -1.71 0.00 0.00 55.69 53.87 3i56 s MET 65 Cb 0.00 -2.20 -0.09 0.00 2.01 0.00 0.00 34.83 34.54 3i56 s MET 65 CO 0.00 -0.73 1.29 -1.21 -0.01 0.00 0.00 175.02 174.37 3i56 s GLU 66 N -5.07 4.40 -0.18 2.03 0.41 -1.26 -2.61 118.70 116.42 3i56 s GLU 66 Ca 0.54 2.09 -0.09 0.00 -0.41 0.00 0.00 54.97 57.10 3i56 s GLU 66 Cb -0.11 -3.15 0.06 0.00 -1.78 0.00 0.00 34.13 29.16 3i56 s GLU 66 CO 0.47 -0.19 0.42 -2.00 -0.49 0.00 0.00 175.26 173.48 3i56 s GLU 67 N -0.80 0.40 -0.08 1.61 2.12 -0.05 -4.95 118.70 116.94 3i56 s GLU 67 Ca 0.53 0.82 -0.21 0.00 0.36 0.00 0.00 54.97 56.47 3i56 s GLU 67 Cb -0.37 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 33.97 3i56 s GLU 67 CO 0.43 -0.16 0.58 0.99 -0.54 0.00 0.00 175.26 176.56 3i56 s THR 68 N 1.47 5.10 -0.07 -1.70 2.01 -1.26 0.36 115.64 121.54 3i56 s THR 68 Ca -0.09 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.12 3i56 s THR 68 Cb -0.08 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.52 3i56 s THR 68 CO -0.13 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.29 3i56 s VAL 69 N 0.60 1.18 0.17 3.82 1.01 0.30 -4.97 120.40 122.51 3i56 s VAL 69 Ca 0.31 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3i56 s VAL 69 Cb -0.17 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 3i56 s VAL 69 CO 0.14 0.37 1.17 -2.84 0.00 0.00 0.00 175.10 173.94 3i56 s PRO 70 N 0.77 4.52 0.00 2.72 0.02 -1.26 -1.25 135.00 140.52 3i56 s PRO 70 Ca -0.12 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.72 3i56 s PRO 70 Cb -0.16 -3.27 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 3i56 s PRO 70 CO 0.02 -0.06 -0.05 0.54 -0.33 0.00 0.00 177.00 177.13 3i56 s VAL 71 N 0.03 0.38 -0.18 3.83 0.11 -0.53 -0.96 120.40 123.08 3i56 s VAL 71 Ca 0.52 -0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 59.17 3i56 s VAL 71 Cb -0.31 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3i56 s VAL 71 CO 0.35 0.03 0.08 -0.89 -3.33 0.00 0.00 175.10 171.33 3i56 s THR 72 N -0.30 4.92 -0.13 5.04 2.01 0.19 -1.57 115.64 125.80 3i56 s THR 72 Ca -0.00 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 3i56 s THR 72 Cb -0.03 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3i56 s THR 72 CO -0.00 0.47 0.53 -0.69 -0.69 0.00 0.00 174.62 174.24 3i56 s VAL 73 N 0.23 5.14 -0.09 3.82 1.01 0.27 -1.31 120.40 129.47 3i56 s VAL 73 Ca 0.05 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.09 3i56 s VAL 73 Cb -0.12 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3i56 s VAL 73 CO -0.00 0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.65 3i56 s ILE 74 N 0.89 1.04 -0.32 2.22 1.01 -0.47 -0.81 121.20 124.75 3i56 s ILE 74 Ca 0.28 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.28 3i56 s ILE 74 Cb -0.16 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3i56 s ILE 74 CO 0.11 0.35 1.02 -1.61 0.00 0.00 0.00 174.94 174.82 3i56 s GLU 75 N 1.15 4.04 -0.75 2.79 2.02 -0.19 -0.99 118.70 126.77 3i56 s GLU 75 Ca -0.06 0.98 0.03 0.00 0.02 0.00 0.00 54.97 55.95 3i56 s GLU 75 Cb -0.14 -3.74 0.21 0.00 0.10 0.00 0.00 34.13 30.56 3i56 s GLU 75 CO -0.02 -0.87 0.69 0.25 0.02 0.00 0.00 175.26 175.33 3i56 n THR 76 N 5.82 2.37 -1.64 3.63 -2.24 0.27 -0.63 114.28 121.86 3i56 n THR 76 Ca 0.10 -5.09 -0.31 0.00 -2.27 0.00 0.00 64.05 56.48 3i56 n THR 76 Cb 0.47 -2.20 0.05 0.00 -2.10 0.00 0.00 70.33 66.55 3i56 n THR 76 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3i56 s PRO 77 N -1.82 2.97 0.31 -0.78 0.02 -1.25 -4.50 135.00 129.94 3i56 s PRO 77 Ca 0.30 1.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.04 3i56 s PRO 77 Cb 0.01 -1.99 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 3i56 s PRO 77 CO -0.10 -1.08 1.30 -2.30 -0.33 0.00 0.00 177.00 174.49 3i56 n PRO 78 N -2.95 2.04 -3.70 5.54 -0.02 -1.26 -4.86 135.00 129.77 3i56 n PRO 78 Ca 0.08 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3i56 n PRO 78 Cb 0.53 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3i56 n PRO 78 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3i56 s MET 79 N -1.40 3.12 -0.19 -0.52 -1.94 -0.79 -4.34 119.30 113.25 3i56 s MET 79 Ca 0.60 -0.99 0.01 0.00 -1.71 0.00 0.00 55.69 53.59 3i56 s MET 79 Cb -0.60 -2.76 0.02 0.00 2.01 0.00 0.00 34.83 33.49 3i56 s MET 79 CO 0.58 0.19 -0.18 1.03 -0.01 0.00 0.00 175.02 176.63 3i56 s ARG 80 N -4.07 2.98 -0.90 2.03 1.81 -1.07 -2.24 118.95 117.49 3i56 s ARG 80 Ca 0.41 -0.84 -0.19 0.00 -1.72 0.00 0.00 55.73 53.39 3i56 s ARG 80 Cb -0.09 -2.63 0.13 0.00 -0.45 0.00 0.00 34.95 31.92 3i56 s ARG 80 CO 0.29 -0.23 1.07 0.00 -0.68 0.00 0.00 175.30 175.76 3i56 s ALA 81 N 1.30 3.42 -0.65 2.13 0.00 0.11 -2.10 121.76 125.96 3i56 s ALA 81 Ca 0.04 -2.75 0.25 0.00 0.00 0.00 0.00 51.96 49.50 3i56 s ALA 81 Cb -0.13 -3.98 0.90 0.00 0.00 0.00 0.00 23.12 19.91 3i56 s ALA 81 CO -0.12 -2.89 1.74 0.28 0.00 0.00 0.00 175.76 174.78 3i56 n VAL 82 N 5.38 0.68 -3.58 0.00 0.31 -0.78 -4.21 118.33 116.14 3i56 n VAL 82 Ca 0.21 -0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.42 3i56 n VAL 82 Cb 0.49 -0.86 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 3i56 n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i56 s ALA 83 N -3.19 -1.37 -0.24 3.52 0.00 -1.18 -3.70 121.76 115.61 3i56 s ALA 83 Ca 0.08 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.23 3i56 s ALA 83 Cb 0.11 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.15 3i56 s ALA 83 CO 0.49 -0.82 -0.11 -1.17 0.00 0.00 0.00 175.76 174.14 3i56 s LEU 84 N -2.81 2.97 0.06 0.00 1.98 -0.33 -1.25 118.68 119.30 3i56 s LEU 84 Ca 0.04 -1.19 -0.09 0.00 -2.89 0.00 0.00 54.13 50.00 3i56 s LEU 84 Cb -0.02 -1.44 -0.05 0.00 0.66 0.00 0.00 46.19 45.34 3i56 s LEU 84 CO -0.07 -0.17 0.36 -0.60 -1.89 0.00 0.00 176.35 173.98 3i56 s ARG 85 N 1.21 3.70 -0.03 1.98 3.52 0.84 -1.14 118.95 129.04 3i56 s ARG 85 Ca -0.06 0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.69 3i56 s ARG 85 Cb -0.18 -3.02 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 3i56 s ARG 85 CO -0.07 0.58 -0.18 0.00 -0.81 0.00 0.00 175.30 174.82 3i56 s ALA 86 N -1.38 1.57 0.07 6.12 0.00 -0.92 -2.69 121.76 124.52 3i56 s ALA 86 Ca 0.32 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.57 3i56 s ALA 86 Cb -0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3i56 s ALA 86 CO 0.18 0.34 -0.08 0.71 0.00 0.00 0.00 175.76 176.91 3i56 s TYR 87 N -0.21 2.82 0.08 0.00 1.51 -1.15 0.51 117.35 120.90 3i56 s TYR 87 Ca 0.02 -0.11 0.09 0.00 -1.01 0.00 0.00 57.07 56.06 3i56 s TYR 87 Cb -0.09 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 3i56 s TYR 87 CO 0.01 0.41 -0.21 -1.83 -1.11 0.00 0.00 175.55 172.82 3i56 s GLU 88 N -1.96 1.81 -0.44 -0.62 -1.05 -0.27 0.40 118.70 116.56 3i56 s GLU 88 Ca 0.21 -1.13 -0.26 0.00 -0.15 0.00 0.00 54.97 53.63 3i56 s GLU 88 Cb -0.11 -2.07 0.02 0.00 -0.44 0.00 0.00 34.13 31.53 3i56 s GLU 88 CO 0.12 0.50 0.97 -0.51 0.95 0.00 0.00 175.26 177.29 3i56 s ASP 89 N -1.73 6.57 0.32 0.83 1.01 0.22 -2.56 116.67 121.33 3i56 s ASP 89 Ca 0.15 0.30 0.09 0.00 0.71 0.00 0.00 52.55 53.81 3i56 s ASP 89 Cb -0.10 -2.48 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3i56 s ASP 89 CO 0.06 -1.05 0.00 0.42 0.21 0.00 0.00 175.17 174.82 3i56 s THR 90 N 3.84 2.78 -2.00 -1.27 -4.23 -0.61 -4.94 115.64 109.21 3i56 s THR 90 Ca 0.40 -1.98 0.12 0.00 -1.18 0.00 0.00 61.69 59.05 3i56 s THR 90 Cb -0.10 -2.78 0.34 0.00 1.34 0.00 0.00 72.50 71.30 3i56 s THR 90 CO 0.26 -0.24 1.13 -2.65 -0.54 0.00 0.00 174.62 172.57 3i56 n PRO 91 N -0.93 0.40 -0.97 3.99 -0.02 -1.26 -2.44 135.00 133.78 3i56 n PRO 91 Ca -0.05 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 3i56 n PRO 91 Cb 0.61 -1.46 0.16 0.00 -0.02 0.00 0.00 33.50 32.80 3i56 n PRO 91 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i56 n TYR 92 N -0.96 0.71 -1.46 6.00 4.02 -1.26 -5.09 117.16 119.11 3i56 n TYR 92 Ca 0.09 -1.68 0.00 0.00 -0.01 0.00 0.00 57.90 56.29 3i56 n TYR 92 Cb 0.04 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 3i56 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i56 n GLY 93 N -1.01 -0.17 3.87 2.72 0.00 -1.02 -4.90 105.19 104.68 3i56 n GLY 93 Ca 0.25 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 3i56 n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i56 s GLN 94 N 0.00 3.49 -0.01 1.61 -0.21 -1.26 -1.57 119.66 121.71 3i56 s GLN 94 Ca 0.00 -0.13 0.02 0.00 0.02 0.00 0.00 55.36 55.28 3i56 s GLN 94 Cb 0.00 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 3i56 s GLN 94 CO 0.00 0.75 -0.07 1.03 -2.12 0.00 0.00 175.29 174.88 3i56 s ARG 95 N -0.96 0.61 0.27 2.91 0.52 -1.06 -4.97 118.95 116.27 3i56 s ARG 95 Ca 0.15 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.80 3i56 s ARG 95 Cb -0.12 -0.59 -0.10 0.00 0.52 0.00 0.00 34.95 34.66 3i56 s ARG 95 CO 0.04 0.16 1.42 -2.14 0.02 0.00 0.00 175.30 174.80 3i56 s PRO 96 N -0.16 4.27 0.00 3.54 0.02 -1.26 -1.11 135.00 140.30 3i56 s PRO 96 Ca 0.03 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3i56 s PRO 96 Cb -0.03 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3i56 s PRO 96 CO -0.00 -0.39 0.00 -0.11 -0.33 0.00 0.00 177.00 176.17 3i56 n LEU 97 N 1.98 0.45 -4.14 -5.54 0.00 0.18 -4.86 117.00 105.07 3i56 n LEU 97 Ca 0.05 0.07 -0.14 0.00 0.00 0.00 0.00 56.01 56.00 3i56 n LEU 97 Cb 0.40 -0.25 -0.07 0.00 0.00 0.00 0.00 43.42 43.51 3i56 n LEU 97 CO 0.60 -0.25 -0.01 -0.89 0.00 0.00 0.00 177.39 176.85 3i56 s THR 98 N -0.50 0.00 -0.00 1.96 2.01 -1.25 -5.02 115.64 112.85 3i56 s THR 98 Ca 0.00 -1.76 0.02 0.00 0.31 0.00 0.00 61.69 60.27 3i56 s THR 98 Cb 0.00 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 3i56 s THR 98 CO 0.00 0.00 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.25 3i56 s GLU 99 N -3.60 0.55 -0.30 4.92 2.02 -1.26 -2.17 118.70 118.86 3i56 s GLU 99 Ca 0.33 -0.27 -0.06 0.00 0.02 0.00 0.00 54.97 55.00 3i56 s GLU 99 Cb 0.02 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.74 3i56 s GLU 99 CO 0.18 0.14 0.06 0.08 0.02 0.00 0.00 175.26 175.74 3i56 s VAL 100 N -0.22 3.75 0.00 2.63 1.01 -0.29 -4.83 120.40 122.44 3i56 s VAL 100 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3i56 s VAL 100 Cb -0.03 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3i56 s VAL 100 CO -0.00 0.05 0.00 0.79 0.00 0.00 0.00 175.10 175.94 3i56 n TRP 101 N 4.82 0.00 -3.95 5.22 7.02 -1.26 -1.19 117.44 128.10 3i56 n TRP 101 Ca -0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 3i56 n TRP 101 Cb 0.47 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 3i56 n TRP 101 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3i56 n THR 102 N 0.00 0.00 -0.03 -0.99 -2.24 -1.24 -4.84 114.28 104.94 3i56 n THR 102 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3i56 n THR 102 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3i56 n THR 102 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i56 n ASP 103 N -2.72 3.60 -4.64 3.42 8.00 -1.26 -4.98 116.55 117.98 3i56 n ASP 103 Ca 0.00 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 3i56 n ASP 103 Cb 0.00 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 3i56 n ASP 103 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i56 s GLU 104 N -2.12 4.10 0.06 -1.24 2.02 -1.26 -5.03 118.70 115.23 3i56 s GLU 104 Ca -0.07 1.09 0.08 0.00 0.02 0.00 0.00 54.97 56.09 3i56 s GLU 104 Cb 0.02 -3.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 3i56 s GLU 104 CO 0.15 -0.82 -0.21 -0.06 0.02 0.00 0.00 175.26 174.34 3i56 s PHE 105 N 3.49 1.80 0.21 1.61 0.40 -1.26 -4.98 117.98 119.26 3i56 s PHE 105 Ca 0.44 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 56.08 3i56 s PHE 105 Cb -0.13 -1.04 -0.09 0.00 0.51 0.00 0.00 43.02 42.27 3i56 s PHE 105 CO 0.13 0.13 1.22 -1.58 0.70 0.00 0.00 175.22 175.82 3i56 s HIS 106 N -0.93 3.38 0.39 0.36 5.65 -1.26 -4.91 115.29 117.96 3i56 s HIS 106 Ca 0.07 1.41 0.28 0.00 0.25 0.00 0.00 55.06 57.07 3i56 s HIS 106 Cb -0.09 -3.47 1.33 0.00 -1.18 0.00 0.00 32.58 29.17 3i56 s HIS 106 CO 0.03 -1.33 1.42 -1.13 -0.65 0.00 0.00 174.74 173.08 3i56 n SER 107 N 2.23 0.21 -1.86 9.88 3.41 -1.26 -1.72 113.62 124.52 3i56 n SER 107 Ca 0.04 1.30 -0.21 0.00 -0.26 0.00 0.00 58.87 59.74 3i56 n SER 107 Cb 0.44 -0.64 0.05 0.00 -0.26 0.00 0.00 64.21 63.80 3i56 n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i56 n GLU 108 N -4.61 3.33 0.16 4.33 1.02 -1.26 -4.66 120.64 118.94 3i56 n GLU 108 Ca 0.36 -4.03 0.12 0.00 -0.02 0.00 0.00 57.16 53.59 3i56 n GLU 108 Cb 1.38 -2.20 0.14 0.00 -0.02 0.00 0.00 31.44 30.74 3i56 n GLU 108 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i56 h LEU 109 N 2.02 0.00 0.00 -4.62 5.85 -1.69 -3.29 115.31 113.59 3i56 h LEU 109 Ca 0.33 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3i56 h LEU 109 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3i56 h LEU 109 CO 0.70 0.01 0.00 -0.90 -0.34 0.00 0.00 178.44 177.91 3i56 n ASP 110 N -2.80 0.00 0.10 1.25 5.75 -1.26 -1.92 116.55 117.68 3i56 n ASP 110 Ca 0.03 -0.07 0.13 0.00 -0.01 0.00 0.00 54.79 54.86 3i56 n ASP 110 Cb 0.52 -0.21 0.38 0.00 -1.03 0.00 0.00 41.12 40.78 3i56 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i56 n ARG 111 N -1.21 0.27 0.01 0.11 1.74 -1.24 -4.28 116.66 112.05 3i56 n ARG 111 Ca 0.08 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3i56 n ARG 111 Cb 0.11 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3i56 n ARG 111 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i56 n THR 112 N -2.27 0.29 -3.29 0.55 -1.04 -0.96 -4.96 114.28 102.60 3i56 n THR 112 Ca 0.05 0.10 -0.19 0.00 -2.04 0.00 0.00 64.05 61.97 3i56 n THR 112 Cb 0.43 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 3i56 n THR 112 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i56 s LEU 113 N -6.22 3.84 -0.99 -4.42 1.43 -0.81 -5.04 118.68 106.48 3i56 s LEU 113 Ca 0.00 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3i56 s LEU 113 Cb 0.00 -2.78 0.28 0.00 0.03 0.00 0.00 46.19 43.71 3i56 s LEU 113 CO 0.00 -0.56 1.17 0.47 0.23 0.00 0.00 176.35 177.66 3i56 n ASP 114 N -1.76 5.43 -3.76 2.29 8.00 -1.26 -4.36 116.55 121.13 3i56 n ASP 114 Ca 0.02 -3.28 -0.50 0.00 0.71 0.00 0.00 54.79 51.73 3i56 n ASP 114 Cb 0.58 -1.17 -0.07 0.00 -0.02 0.00 0.00 41.12 40.45 3i56 n ASP 114 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3i56 n VAL 115 N 1.73 0.00 -1.90 2.53 0.31 -1.26 -4.89 118.33 114.86 3i56 n VAL 115 Ca 0.25 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.16 3i56 n VAL 115 Cb 0.36 -0.07 -0.03 0.00 -0.91 0.00 0.00 33.84 33.19 3i56 n VAL 115 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3i56 s PRO 116 N 0.43 4.20 -0.25 5.55 0.02 -1.26 -4.92 135.00 138.76 3i56 s PRO 116 Ca 0.77 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 64.12 3i56 s PRO 116 Cb -1.08 -3.34 -0.13 0.00 0.02 0.00 0.00 34.50 29.97 3i56 s PRO 116 CO 0.51 -0.68 -0.27 0.39 -0.33 0.00 0.00 177.00 176.61 3i56 n GLU 117 N 4.67 0.56 -3.98 5.54 1.02 -1.26 -4.92 120.64 122.28 3i56 n GLU 117 Ca 0.15 0.19 -0.31 0.00 -0.02 0.00 0.00 57.16 57.17 3i56 n GLU 117 Cb 0.39 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 30.22 3i56 n GLU 117 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i56 s ASP 118 N -6.83 4.17 0.03 1.62 1.01 -1.26 -5.11 116.67 110.30 3i56 s ASP 118 Ca -0.34 -1.41 0.00 0.00 0.71 0.00 0.00 52.55 51.51 3i56 s ASP 118 Cb 0.11 -1.33 -0.02 0.00 1.01 0.00 0.00 42.92 42.68 3i56 s ASP 118 CO 0.49 -0.25 -0.04 -2.28 0.21 0.00 0.00 175.17 173.30 3i56 s HIS 119 N 1.25 0.36 -0.52 4.23 5.65 -1.26 -5.12 115.29 119.88 3i56 s HIS 119 Ca -0.03 -0.63 -0.04 0.00 0.25 0.00 0.00 55.06 54.60 3i56 s HIS 119 Cb -0.19 -0.25 0.14 0.00 -1.18 0.00 0.00 32.58 31.09 3i56 s HIS 119 CO -0.07 -0.21 0.34 0.34 -0.65 0.00 0.00 174.74 174.48 3i56 s ASP 120 N -1.77 5.37 0.24 9.88 -1.08 -1.26 -4.94 116.67 123.10 3i56 s ASP 120 Ca -0.11 -2.37 0.25 0.00 -0.52 0.00 0.00 52.55 49.80 3i56 s ASP 120 Cb -0.06 -1.88 0.92 0.00 -1.46 0.00 0.00 42.92 40.44 3i56 s ASP 120 CO -0.03 -0.50 1.74 -2.65 0.52 0.00 0.00 175.17 174.25 3i56 n PRO 121 N 4.18 0.22 0.02 4.34 -0.02 -1.26 -3.10 135.00 139.37 3i56 n PRO 121 Ca 0.01 0.34 -0.22 0.00 -2.02 0.00 0.00 63.50 61.62 3i56 n PRO 121 Cb 0.40 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 31.89 3i56 n PRO 121 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i56 h ASP 122 N 0.00 0.42 0.99 2.55 5.19 -1.98 -3.01 116.42 120.58 3i56 h ASP 122 Ca 0.00 -0.87 -0.05 0.00 -0.62 0.00 0.00 57.03 55.49 3i56 h ASP 122 Cb 0.50 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3i56 h ASP 122 CO 0.00 1.64 -0.22 0.00 -3.12 0.00 0.00 179.24 177.54 3i56 h ALA 123 N -0.02 1.00 -0.01 3.45 0.00 -1.99 -0.65 119.26 121.04 3i56 h ALA 123 Ca -0.31 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 3i56 h ALA 123 Cb 1.81 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.57 3i56 h ALA 123 CO 0.08 0.28 -0.46 0.00 0.00 0.00 0.00 179.25 179.14 3i56 h ALA 124 N 1.78 0.06 -0.34 0.00 0.00 -1.68 -2.75 119.26 116.33 3i56 h ALA 124 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3i56 h ALA 124 Cb 0.77 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3i56 h ALA 124 CO 0.03 0.25 0.01 1.49 0.00 0.00 0.00 179.25 181.02 3i56 h GLU 125 N -0.25 0.52 -0.36 0.00 4.81 -1.35 -2.59 114.58 115.37 3i56 h GLU 125 Ca -0.06 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 3i56 h GLU 125 Cb 1.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3i56 h GLU 125 CO 0.09 0.55 -0.23 1.49 -0.73 0.00 0.00 179.01 180.17 3i56 h GLU 126 N 0.50 0.79 -0.31 1.92 4.81 -1.15 -2.54 114.58 118.61 3i56 h GLU 126 Ca 0.11 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3i56 h GLU 126 Cb 0.32 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3i56 h GLU 126 CO 0.01 1.00 0.06 0.37 -0.73 0.00 0.00 179.01 179.72 3i56 h GLN 127 N 0.58 0.45 -0.22 1.92 4.15 -1.15 -0.75 115.11 120.09 3i56 h GLN 127 Ca 0.07 -0.07 -0.21 0.00 0.77 0.00 0.00 58.65 59.22 3i56 h GLN 127 Cb 0.79 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.41 3i56 h GLN 127 CO 0.06 0.43 -0.66 0.82 -1.93 0.00 0.00 178.83 177.55 3i56 h ILE 128 N 0.45 1.27 -0.01 2.39 2.04 -1.37 -2.56 117.51 119.71 3i56 h ILE 128 Ca 0.11 -1.85 -0.17 0.00 1.00 0.00 0.00 64.86 63.94 3i56 h ILE 128 Cb 0.19 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3i56 h ILE 128 CO -0.00 0.60 -0.77 0.03 0.00 0.00 0.00 178.15 178.00 3i56 h ARG 129 N 0.61 0.14 0.00 2.37 3.08 -1.02 -1.68 114.38 117.89 3i56 h ARG 129 Ca -0.02 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3i56 h ARG 129 Cb 1.29 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3i56 h ARG 129 CO 0.14 0.84 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.35 3i56 h ASP 130 N 0.09 0.00 0.77 7.04 3.32 -1.17 -2.13 116.42 124.34 3i56 h ASP 130 Ca -0.02 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.79 3i56 h ASP 130 Cb 1.35 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.86 3i56 h ASP 130 CO 0.11 0.09 -1.33 0.00 -1.72 0.00 0.00 179.24 176.39 3i56 h ALA 131 N 1.91 0.60 -0.05 3.45 0.00 -1.29 -3.02 119.26 120.85 3i56 h ALA 131 Ca -0.00 -1.14 -0.19 0.00 0.00 0.00 0.00 54.91 53.58 3i56 h ALA 131 Cb 0.89 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i56 h ALA 131 CO 0.01 1.34 -0.78 1.25 0.00 0.00 0.00 179.25 181.07 3i56 h HIS 132 N 0.00 0.49 -0.56 0.00 -0.00 -1.16 -1.33 115.15 112.59 3i56 h HIS 132 Ca -0.15 -0.23 -0.06 0.00 -0.00 0.00 0.00 60.37 59.93 3i56 h HIS 132 Cb 1.84 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 29.16 3i56 h HIS 132 CO 0.00 1.00 0.11 0.93 -0.00 0.00 0.00 177.93 179.97 3i56 h GLU 133 N 0.23 0.89 0.00 5.26 5.08 -1.45 -2.28 114.58 122.31 3i56 h GLU 133 Ca -0.04 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3i56 h GLU 133 Cb 1.37 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3i56 h GLU 133 CO 0.13 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.95 3i56 h ALA 134 N 1.27 1.00 -0.05 3.43 0.00 -1.43 -3.47 119.26 120.01 3i56 h ALA 134 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i56 h ALA 134 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i56 h ALA 134 CO 0.00 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.65 3i56 n GLY 135 N 0.82 0.38 0.00 0.00 0.00 -0.86 -4.96 105.19 100.58 3i56 n GLY 135 Ca 0.04 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 45.19 3i56 n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i56 n ASP 136 N 1.91 0.76 -4.67 1.61 8.00 -0.54 -4.97 116.55 118.65 3i56 n ASP 136 Ca -0.01 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 3i56 n ASP 136 Cb 0.28 1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 42.73 3i56 n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i56 s LEU 137 N -3.50 4.35 0.00 0.64 2.96 -1.15 0.71 118.68 122.69 3i56 s LEU 137 Ca 0.01 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 3i56 s LEU 137 Cb 0.13 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.28 3i56 s LEU 137 CO 0.78 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 3i56 n GLY 138 N 4.13 1.89 3.72 7.98 0.00 0.16 -4.77 105.19 118.31 3i56 n GLY 138 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3i56 n GLY 138 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i56 s ASP 139 N -1.01 4.28 -0.22 1.61 -4.77 -1.26 -4.97 116.67 110.34 3i56 s ASP 139 Ca 0.00 -1.20 0.01 0.00 -3.30 0.00 0.00 52.55 48.05 3i56 s ASP 139 Cb 0.00 -0.34 0.03 0.00 -1.09 0.00 0.00 42.92 41.52 3i56 s ASP 139 CO 0.00 -0.58 -0.14 -0.76 0.70 0.00 0.00 175.17 174.40 3i56 s LEU 140 N -3.88 2.75 0.08 2.11 1.43 -1.26 -2.93 118.68 116.98 3i56 s LEU 140 Ca 0.37 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3i56 s LEU 140 Cb 0.05 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3i56 s LEU 140 CO 0.20 -0.08 -0.18 -0.13 0.23 0.00 0.00 176.35 176.39 3i56 s ARG 141 N 1.26 1.06 -0.10 1.70 0.52 -1.10 -0.30 118.95 122.00 3i56 s ARG 141 Ca 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 3i56 s ARG 141 Cb -0.16 -1.21 -0.03 0.00 0.52 0.00 0.00 34.95 34.07 3i56 s ARG 141 CO -0.08 0.29 -0.05 -0.51 0.02 0.00 0.00 175.30 174.96 3i56 s LEU 142 N -1.65 3.27 -0.10 2.53 1.43 0.13 -0.11 118.68 124.17 3i56 s LEU 142 Ca 0.04 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 3i56 s LEU 142 Cb -0.10 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3i56 s LEU 142 CO 0.03 0.31 0.89 -0.63 0.23 0.00 0.00 176.35 177.18 3i56 s ILE 143 N -0.49 4.88 0.01 -0.59 -1.09 -0.38 -1.07 121.20 122.46 3i56 s ILE 143 Ca 0.08 1.81 0.02 0.00 -2.23 0.00 0.00 60.65 60.32 3i56 s ILE 143 Cb -0.12 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 3i56 s ILE 143 CO 0.02 0.08 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.87 3i56 s THR 144 N 1.68 0.42 0.44 2.92 2.01 0.01 -1.86 115.64 121.26 3i56 s THR 144 Ca 0.44 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.08 3i56 s THR 144 Cb -0.18 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 3i56 s THR 144 CO 0.18 0.01 0.03 -1.38 -0.69 0.00 0.00 174.62 172.77 3i56 s HIS 145 N -0.38 2.03 0.28 4.92 -3.43 -0.89 0.01 115.29 117.82 3i56 s HIS 145 Ca -0.01 -0.95 0.10 0.00 -0.80 0.00 0.00 55.06 53.41 3i56 s HIS 145 Cb -0.04 -1.53 -0.05 0.00 -1.43 0.00 0.00 32.58 29.54 3i56 s HIS 145 CO -0.00 0.16 -0.06 0.95 -2.00 0.00 0.00 174.74 173.78 3i56 s THR 146 N -2.95 3.02 -0.76 -5.38 -4.23 -1.18 -2.60 115.64 101.55 3i56 s THR 146 Ca 0.20 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 3i56 s THR 146 Cb 0.05 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.42 3i56 s THR 146 CO 0.10 -0.36 0.62 -0.69 -0.54 0.00 0.00 174.62 173.76 3i56 s VAL 147 N -2.41 4.15 -0.93 2.29 1.01 -1.26 -4.42 120.40 118.83 3i56 s VAL 147 Ca 0.31 -3.35 0.19 0.00 0.00 0.00 0.00 61.98 59.13 3i56 s VAL 147 Cb -0.05 -3.63 0.16 0.00 0.00 0.00 0.00 36.38 32.86 3i56 s VAL 147 CO 0.18 -0.99 1.59 -2.65 0.00 0.00 0.00 175.10 173.24 3i56 n PRO 148 N 2.98 0.03 0.14 2.72 -0.02 -1.26 -1.90 135.00 137.70 3i56 n PRO 148 Ca 0.15 0.22 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 3i56 n PRO 148 Cb 0.38 -1.55 0.21 0.00 -0.02 0.00 0.00 33.50 32.51 3i56 n PRO 148 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3i56 h ASP 149 N 0.00 0.05 1.19 2.55 1.82 -1.84 -2.60 116.42 117.58 3i56 h ASP 149 Ca 0.00 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3i56 h ASP 149 Cb 0.33 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 3i56 h ASP 149 CO 0.00 0.59 -0.02 0.00 -1.61 0.00 0.00 179.24 178.21 3i56 h ALA 150 N 1.41 1.00 -2.59 -0.78 0.00 -1.77 -3.39 119.26 113.15 3i56 h ALA 150 Ca -0.00 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.17 3i56 h ALA 150 Cb 0.99 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.53 3i56 h ALA 150 CO 0.07 0.02 -0.42 0.08 0.00 0.00 0.00 179.25 179.00 3i56 s VAL 151 N -3.59 4.77 0.38 0.00 1.01 -0.98 -4.98 120.40 117.01 3i56 s VAL 151 Ca 0.02 -1.09 0.11 0.00 0.00 0.00 0.00 61.98 61.01 3i56 s VAL 151 Cb 0.08 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.79 3i56 s VAL 151 CO 0.57 -0.46 1.89 -0.65 0.00 0.00 0.00 175.10 176.45 3i56 h PRO 152 N 8.56 0.15 0.00 2.72 0.11 -1.79 -3.17 132.00 138.58 3i56 h PRO 152 Ca -0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3i56 h PRO 152 Cb 1.10 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i56 h PRO 152 CO 0.78 0.37 -0.06 0.77 -0.21 0.00 0.00 178.00 179.65 3i56 h SER 153 N 0.14 0.00 -3.52 -2.05 0.02 -1.86 -3.42 113.55 102.86 3i56 h SER 153 Ca 0.03 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.36 3i56 h SER 153 Cb 0.47 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.89 3i56 h SER 153 CO 0.03 0.06 0.11 -0.69 -1.14 0.00 0.00 176.83 175.20 3i56 s VAL 154 N -3.41 4.99 0.30 2.27 1.01 -1.20 -4.85 120.40 119.51 3i56 s VAL 154 Ca 0.04 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.02 3i56 s VAL 154 Cb 0.07 -3.92 0.28 0.00 0.00 0.00 0.00 36.38 32.81 3i56 s VAL 154 CO 0.62 -0.00 1.90 -0.65 0.00 0.00 0.00 175.10 176.97 3i56 h PRO 155 N 8.01 0.98 -6.95 2.72 0.11 -1.87 -3.45 132.00 131.56 3i56 h PRO 155 Ca -0.27 -0.06 -0.51 0.00 0.11 0.00 0.00 66.00 65.27 3i56 h PRO 155 Cb 1.13 -0.22 0.06 0.00 0.11 0.00 0.00 31.00 32.07 3i56 h PRO 155 CO 0.76 0.65 0.51 -1.59 -0.21 0.00 0.00 178.00 178.13 3i56 s LYS 156 N -5.91 4.01 -0.00 1.05 -2.85 -1.26 -4.93 119.74 109.85 3i56 s LYS 156 Ca -0.11 1.85 0.03 0.00 -1.00 0.00 0.00 55.97 56.74 3i56 s LYS 156 Cb 0.20 -2.65 -0.05 0.00 -2.06 0.00 0.00 37.83 33.28 3i56 s LYS 156 CO 0.80 -0.36 0.08 1.63 0.10 0.00 0.00 175.35 177.60 3i56 n LYS 157 N 0.00 0.85 -2.04 1.78 5.02 -1.26 -4.31 118.16 118.21 3i56 n LYS 157 Ca 0.05 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 3i56 n LYS 157 Cb 0.46 -1.02 -0.03 0.00 -0.02 0.00 0.00 35.03 34.43 3i56 n LYS 157 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3i56 s LYS 158 N -2.11 3.59 0.46 1.97 2.20 -1.26 -4.67 119.74 119.93 3i56 s LYS 158 Ca -0.01 1.60 -0.24 0.00 -0.36 0.00 0.00 55.97 56.96 3i56 s LYS 158 Cb 0.02 -4.12 -0.07 0.00 -1.51 0.00 0.00 37.83 32.15 3i56 s LYS 158 CO 0.13 -1.54 1.33 -2.14 -0.36 0.00 0.00 175.35 172.77 3i56 s PRO 159 N 5.13 3.64 -0.48 4.03 0.02 -1.26 -4.89 135.00 141.18 3i56 s PRO 159 Ca 0.76 2.18 -0.18 0.00 0.02 0.00 0.00 61.00 63.78 3i56 s PRO 159 Cb -0.25 -2.54 0.05 0.00 0.02 0.00 0.00 34.50 31.79 3i56 s PRO 159 CO 0.32 -0.77 0.55 -0.51 -0.33 0.00 0.00 177.00 176.26 3i56 s ASP 160 N -0.84 6.21 0.02 2.53 1.01 -1.26 -4.87 116.67 119.46 3i56 s ASP 160 Ca 0.63 -0.91 -0.22 0.00 0.71 0.00 0.00 52.55 52.75 3i56 s ASP 160 Cb -0.39 -2.26 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3i56 s ASP 160 CO 0.48 -0.79 0.66 -0.69 0.21 0.00 0.00 175.17 175.05 3i56 s VAL 161 N 2.37 4.84 -0.07 -1.27 1.01 -1.26 -3.10 120.40 122.92 3i56 s VAL 161 Ca 0.13 1.39 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 3i56 s VAL 161 Cb -0.19 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.24 3i56 s VAL 161 CO 0.12 0.40 0.58 0.00 0.00 0.00 0.00 175.10 176.19 3i56 s MET 162 N -0.15 0.91 0.08 2.72 0.23 0.10 -4.99 119.30 118.20 3i56 s MET 162 Ca 0.34 0.24 -0.17 0.00 -1.03 0.00 0.00 55.69 55.07 3i56 s MET 162 Cb -0.19 0.43 -0.07 0.00 -1.53 0.00 0.00 34.83 33.47 3i56 s MET 162 CO 0.19 -0.26 0.53 -2.00 -2.03 0.00 0.00 175.02 171.46 3i56 s GLU 163 N -1.00 4.08 0.04 3.16 2.12 -1.26 -0.81 118.70 125.03 3i56 s GLU 163 Ca -0.10 0.60 0.03 0.00 0.36 0.00 0.00 54.97 55.86 3i56 s GLU 163 Cb -0.02 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 3i56 s GLU 163 CO 0.07 0.60 -0.10 0.99 -0.54 0.00 0.00 175.26 176.28 3i56 s THR 164 N -1.22 0.72 0.13 -1.70 2.01 -0.23 -4.94 115.64 110.40 3i56 s THR 164 Ca 0.31 -1.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 3i56 s THR 164 Cb -0.18 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 3i56 s THR 164 CO 0.18 -0.26 0.45 -0.60 -0.69 0.00 0.00 174.62 173.70 3i56 s ARG 165 N -1.45 3.79 -0.23 4.92 3.52 -1.26 0.19 118.95 128.43 3i56 s ARG 165 Ca -0.06 0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.73 3i56 s ARG 165 Cb -0.09 -2.90 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 3i56 s ARG 165 CO 0.01 0.49 -0.06 0.08 -0.81 0.00 0.00 175.30 175.01 3i56 s VAL 166 N -1.52 3.08 0.34 7.11 1.01 0.59 0.43 120.40 131.44 3i56 s VAL 166 Ca 0.38 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3i56 s VAL 166 Cb -0.13 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 3i56 s VAL 166 CO 0.20 0.33 0.06 -0.83 0.00 0.00 0.00 175.10 174.86 3i56 s GLY 167 N 1.40 2.16 0.00 4.51 0.00 -1.04 -4.35 107.32 110.00 3i56 s GLY 167 Ca 0.04 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.80 3i56 s GLY 167 CO -0.05 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 171.83 3i56 n GLY 168 N -0.73 -0.65 0.00 0.20 0.00 -1.26 -1.44 105.19 101.31 3i56 n GLY 168 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i56 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 169 N 0.00 0.87 3.85 -0.02 0.00 -1.14 -3.34 105.19 105.40 3i56 n GLY 169 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 3i56 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i56 s SER 170 N -1.00 6.28 0.58 1.61 1.04 -1.26 -4.89 113.70 116.06 3i56 s SER 170 Ca 0.00 1.54 0.31 0.00 0.48 0.00 0.00 55.95 58.28 3i56 s SER 170 Cb 0.00 -2.49 1.77 0.00 0.10 0.00 0.00 66.02 65.39 3i56 s SER 170 CO 0.00 -0.83 2.20 -0.37 0.98 0.00 0.00 173.24 175.23 3i56 h VAL 171 N 0.24 0.46 0.19 5.02 -1.51 -1.98 -1.11 116.25 117.56 3i56 h VAL 171 Ca -0.45 -0.19 -0.29 0.00 -1.23 0.00 0.00 66.70 64.53 3i56 h VAL 171 Cb 1.19 1.13 0.03 0.00 -2.13 0.00 0.00 31.29 31.51 3i56 h VAL 171 CO 0.61 0.04 -1.25 0.28 -1.23 0.00 0.00 177.57 176.01 3i56 h SER 172 N 0.00 0.78 0.61 4.19 0.02 -2.00 -2.95 113.55 114.21 3i56 h SER 172 Ca -0.00 -0.89 -0.16 0.00 -0.84 0.00 0.00 61.79 59.90 3i56 h SER 172 Cb 0.12 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3i56 h SER 172 CO 0.01 1.61 -0.74 0.44 -1.14 0.00 0.00 176.83 177.00 3i56 h ASP 173 N 0.08 0.13 0.95 3.07 3.32 -1.81 -2.96 116.42 119.20 3i56 h ASP 173 Ca -0.21 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3i56 h ASP 173 Cb 1.96 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.48 3i56 h ASP 173 CO 0.24 0.82 -0.19 -2.11 -1.72 0.00 0.00 179.24 176.28 3i56 n ARG 174 N -3.71 0.08 0.01 3.56 1.85 -0.47 -1.68 116.66 116.30 3i56 n ARG 174 Ca -0.02 0.05 -0.18 0.00 -1.00 0.00 0.00 57.85 56.70 3i56 n ARG 174 Cb 0.71 -1.58 -0.12 0.00 -1.05 0.00 0.00 32.46 30.43 3i56 n ARG 174 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3i56 h LEU 175 N 0.00 0.51 -0.49 2.89 6.46 -1.44 -2.00 115.31 121.25 3i56 h LEU 175 Ca 0.00 -0.79 -0.04 0.00 -0.12 0.00 0.00 57.88 56.93 3i56 h LEU 175 Cb 0.57 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 3i56 h LEU 175 CO 0.00 1.24 0.15 0.44 -0.62 0.00 0.00 178.44 179.66 3i56 h ASP 176 N -0.16 0.71 -0.64 1.25 3.32 -1.43 -0.89 116.42 118.58 3i56 h ASP 176 Ca -0.09 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 3i56 h ASP 176 Cb 1.36 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 3i56 h ASP 176 CO 0.12 0.72 0.21 -0.74 -1.72 0.00 0.00 179.24 177.84 3i56 h HIS 177 N 0.65 1.02 -0.04 4.55 2.76 -1.37 -0.79 115.15 121.93 3i56 h HIS 177 Ca 0.16 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3i56 h HIS 177 Cb 0.27 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 3i56 h HIS 177 CO 0.01 0.83 0.01 0.00 -1.30 0.00 0.00 177.93 177.48 3i56 h ALA 178 N 1.08 0.05 -0.57 5.26 0.00 -1.11 -2.68 119.26 121.29 3i56 h ALA 178 Ca 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3i56 h ALA 178 Cb 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3i56 h ALA 178 CO -0.01 -0.34 0.15 -0.07 0.00 0.00 0.00 179.25 178.98 3i56 h LEU 179 N -0.16 0.82 -1.14 0.00 3.38 -1.08 -2.84 115.31 114.30 3i56 h LEU 179 Ca 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3i56 h LEU 179 Cb 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3i56 h LEU 179 CO 0.00 0.79 0.34 -0.78 0.09 0.00 0.00 178.44 178.88 3i56 h ASP 180 N 0.84 0.85 -0.00 -0.43 3.58 -1.01 0.10 116.42 120.35 3i56 h ASP 180 Ca 0.19 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 3i56 h ASP 180 Cb 0.29 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 3i56 h ASP 180 CO -0.00 0.71 -0.01 0.40 -2.88 0.00 0.00 179.24 177.46 3i56 h ILE 181 N 0.95 1.41 0.40 2.25 2.04 -1.27 -3.32 117.51 119.96 3i56 h ILE 181 Ca 0.24 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3i56 h ILE 181 Cb 0.07 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3i56 h ILE 181 CO -0.03 0.32 -0.30 0.58 0.00 0.00 0.00 178.15 178.71 3i56 h VAL 182 N -0.50 0.38 -1.04 1.67 2.07 -1.27 -2.64 116.25 114.92 3i56 h VAL 182 Ca 0.00 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.82 3i56 h VAL 182 Cb 0.52 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3i56 h VAL 182 CO 0.00 0.00 0.90 -0.33 0.02 0.00 0.00 177.57 178.17 3i56 h GLU 183 N -0.69 0.00 0.00 1.57 4.39 -1.09 -3.05 114.58 115.71 3i56 h GLU 183 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3i56 h GLU 183 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3i56 h GLU 183 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 3i56 n ASP 184 N -3.79 0.00 0.00 1.42 8.00 -1.14 -4.94 116.55 116.10 3i56 n ASP 184 Ca 0.22 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3i56 n ASP 184 Cb 1.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.34 3i56 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i56 n GLY 185 N 2.07 1.00 2.16 0.44 0.00 -1.15 -4.84 105.19 104.86 3i56 n GLY 185 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i56 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 186 N 0.00 0.44 3.70 -0.02 0.00 -1.01 -4.52 105.19 103.78 3i56 n GLY 186 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3i56 n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i56 s GLU 187 N -0.56 4.42 -0.01 1.61 2.12 -1.26 0.06 118.70 125.09 3i56 s GLU 187 Ca 0.00 1.62 -0.12 0.00 0.36 0.00 0.00 54.97 56.83 3i56 s GLU 187 Cb 0.00 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.93 3i56 s GLU 187 CO 0.00 -0.30 0.25 -3.38 -0.54 0.00 0.00 175.26 171.29 3i56 s HIS 188 N 1.60 -0.10 0.44 5.30 -3.43 -0.95 -4.99 115.29 113.15 3i56 s HIS 188 Ca 0.55 0.11 0.06 0.00 -0.80 0.00 0.00 55.06 54.99 3i56 s HIS 188 Cb -0.25 0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 30.90 3i56 s HIS 188 CO 0.25 -0.36 0.13 0.00 -2.00 0.00 0.00 174.74 172.76 3i56 s ALA 189 N -1.39 3.62 0.39 -1.38 0.00 -1.26 -1.88 121.76 119.86 3i56 s ALA 189 Ca -0.14 -1.86 0.34 0.00 0.00 0.00 0.00 51.96 50.30 3i56 s ALA 189 Cb -0.06 -0.20 1.69 0.00 0.00 0.00 0.00 23.12 24.55 3i56 s ALA 189 CO 0.03 -0.16 2.13 1.98 0.00 0.00 0.00 175.76 179.74 3i56 h MET 190 N 1.45 0.00 0.00 0.00 4.05 -1.92 -1.63 114.93 116.89 3i56 h MET 190 Ca -0.43 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 58.92 3i56 h MET 190 Cb 1.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 3i56 h MET 190 CO 0.73 0.05 -0.36 -0.91 0.23 0.00 0.00 176.91 176.65 3i56 h ASN 191 N 0.00 0.00 0.60 1.39 2.35 -1.97 0.31 115.58 118.26 3i56 h ASN 191 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3i56 h ASN 191 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3i56 h ASN 191 CO 0.01 0.36 -0.56 0.44 -1.65 0.00 0.00 177.43 176.02 3i56 h ASP 192 N 0.00 0.00 0.00 5.81 5.19 -1.70 -3.38 116.42 122.35 3i56 h ASP 192 Ca -0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 3i56 h ASP 192 Cb 0.71 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.17 3i56 h ASP 192 CO 0.05 0.56 -2.02 -0.38 -3.12 0.00 0.00 179.24 174.33 3i56 n ILE 193 N -3.83 1.00 -4.20 0.35 5.41 -1.04 -4.91 119.36 112.14 3i56 n ILE 193 Ca -0.01 -0.27 -0.22 0.00 1.00 0.00 0.00 62.75 63.24 3i56 n ILE 193 Cb 0.57 -1.67 -0.06 0.00 -0.71 0.00 0.00 39.64 37.78 3i56 n ILE 193 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3i56 s PHE 194 N -2.34 2.89 0.01 1.39 0.40 0.11 -5.04 117.98 115.40 3i56 s PHE 194 Ca -0.25 -0.18 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 3i56 s PHE 194 Cb 0.09 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 3i56 s PHE 194 CO 0.33 0.56 -0.13 0.50 0.70 0.00 0.00 175.22 177.18 3i56 s ARG 195 N -3.76 0.93 0.17 0.44 6.06 -1.26 -4.22 118.95 117.30 3i56 s ARG 195 Ca 0.33 -0.57 -0.32 0.00 -2.50 0.00 0.00 55.73 52.67 3i56 s ARG 195 Cb -0.07 -0.90 -0.10 0.00 0.06 0.00 0.00 34.95 33.93 3i56 s ARG 195 CO 0.22 0.24 1.61 0.00 -2.50 0.00 0.00 175.30 174.87 3i56 s ALA 196 N -0.55 3.81 0.00 6.12 0.00 -1.26 -2.70 121.76 127.18 3i56 s ALA 196 Ca 0.03 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3i56 s ALA 196 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3i56 s ALA 196 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3i56 n GLY 197 N 3.82 2.28 3.82 0.00 0.00 0.14 -0.62 105.19 114.63 3i56 n GLY 197 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3i56 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 198 N -0.18 3.44 -0.19 1.61 2.02 -1.10 -4.14 118.70 120.16 3i56 s GLU 198 Ca 0.00 1.06 -0.17 0.00 0.02 0.00 0.00 54.97 55.88 3i56 s GLU 198 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 3i56 s GLU 198 CO 0.00 -0.70 0.44 0.71 0.02 0.00 0.00 175.26 175.73 3i56 s TYR 199 N -2.66 3.40 0.23 1.61 1.51 -1.26 -1.82 117.35 118.35 3i56 s TYR 199 Ca 0.61 0.70 0.10 0.00 -1.01 0.00 0.00 57.07 57.46 3i56 s TYR 199 Cb -0.14 -2.56 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 3i56 s TYR 199 CO 0.40 0.00 -0.18 0.00 -1.11 0.00 0.00 175.55 174.66 3i56 s ALA 200 N 1.26 2.36 -0.27 3.71 0.00 0.10 -1.92 121.76 127.00 3i56 s ALA 200 Ca 0.21 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.38 3i56 s ALA 200 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3i56 s ALA 200 CO 0.09 0.22 0.08 -0.51 0.00 0.00 0.00 175.76 175.64 3i56 s ASP 201 N -3.21 5.16 -0.28 0.00 1.01 0.16 0.44 116.67 119.95 3i56 s ASP 201 Ca 0.24 -0.41 -0.10 0.00 0.71 0.00 0.00 52.55 52.99 3i56 s ASP 201 Cb -0.04 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 3i56 s ASP 201 CO 0.10 -0.11 0.17 -0.69 0.21 0.00 0.00 175.17 174.86 3i56 s VAL 202 N 1.58 5.07 0.08 -1.27 1.01 -0.71 -2.34 120.40 123.81 3i56 s VAL 202 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3i56 s VAL 202 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3i56 s VAL 202 CO 0.03 0.23 0.23 0.00 0.00 0.00 0.00 175.10 175.59 3i56 s ALA 203 N 1.72 4.00 -0.07 5.51 0.00 -0.56 -0.84 121.76 131.52 3i56 s ALA 203 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3i56 s ALA 203 Cb -0.16 -1.83 0.11 0.00 0.00 0.00 0.00 23.12 21.24 3i56 s ALA 203 CO 0.09 0.78 0.96 0.20 0.00 0.00 0.00 175.76 177.80 3i56 s GLY 204 N -2.61 -0.40 -0.37 0.00 0.00 -0.01 -2.02 107.32 101.91 3i56 s GLY 204 Ca 0.35 1.30 -0.14 0.00 0.00 0.00 0.00 44.72 46.24 3i56 s GLY 204 CO 0.28 0.50 0.26 0.14 0.00 0.00 0.00 173.10 174.28 3i56 s VAL 205 N -2.64 5.27 1.13 1.40 1.01 -1.26 -0.38 120.40 124.93 3i56 s VAL 205 Ca 0.05 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 3i56 s VAL 205 Cb -0.01 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.70 3i56 s VAL 205 CO -0.06 -0.12 0.07 0.35 0.00 0.00 0.00 175.10 175.33 3i56 n THR 206 N 5.12 0.00 -2.12 3.92 -2.24 -0.03 -3.92 114.28 115.01 3i56 n THR 206 Ca -0.12 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 3i56 n THR 206 Cb 0.49 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 3i56 n THR 206 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i56 s LYS 207 N -3.51 4.22 -0.09 -0.78 1.02 -1.26 -2.90 119.74 116.43 3i56 s LYS 207 Ca 0.57 2.06 -0.30 0.00 0.02 0.00 0.00 55.97 58.32 3i56 s LYS 207 Cb -0.13 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 3i56 s LYS 207 CO 0.66 -0.74 1.41 0.20 -0.92 0.00 0.00 175.35 175.96 3i56 s GLY 208 N 2.63 1.68 -0.12 -3.33 0.00 -1.26 -3.55 107.32 103.38 3i56 s GLY 208 Ca 0.68 0.70 0.15 0.00 0.00 0.00 0.00 44.72 46.25 3i56 s GLY 208 CO 0.27 2.65 1.35 0.28 0.00 0.00 0.00 173.10 177.64 3i56 n LYS 209 N 6.43 2.81 0.00 2.90 5.02 -0.70 -4.91 118.16 129.70 3i56 n LYS 209 Ca 0.15 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 3i56 n LYS 209 Cb 0.44 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3i56 n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i56 n GLY 210 N -0.30 2.85 3.66 0.72 0.00 -1.21 -4.54 105.19 106.38 3i56 n GLY 210 Ca 0.18 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3i56 n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i56 s THR 211 N 0.00 5.28 0.16 2.61 -4.23 -1.26 -1.09 115.64 117.11 3i56 s THR 211 Ca 0.00 0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.72 3i56 s THR 211 Cb 0.00 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 3i56 s THR 211 CO 0.00 0.37 -0.12 -1.10 -0.54 0.00 0.00 174.62 173.23 3i56 s GLN 212 N 0.88 1.15 0.86 3.99 -1.52 -0.33 -4.94 119.66 119.76 3i56 s GLN 212 Ca 0.07 -1.48 -0.13 0.00 -1.95 0.00 0.00 55.36 51.87 3i56 s GLN 212 Cb -0.13 -0.83 0.13 0.00 -0.22 0.00 0.00 33.01 31.96 3i56 s GLN 212 CO 0.03 0.12 1.23 0.20 -0.25 0.00 0.00 175.29 176.62 3i56 s GLY 213 N -3.15 1.67 0.33 3.09 0.00 -1.26 -2.34 107.32 105.66 3i56 s GLY 213 Ca 0.18 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 44.08 3i56 s GLY 213 CO 0.03 -0.28 1.86 -2.55 0.00 0.00 0.00 173.10 172.16 3i56 h PRO 214 N -1.26 0.78 -0.76 2.90 0.11 -1.82 0.13 132.00 132.08 3i56 h PRO 214 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3i56 h PRO 214 Cb 1.29 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3i56 h PRO 214 CO 0.55 0.52 0.44 0.28 -0.21 0.00 0.00 178.00 179.57 3i56 h VAL 215 N 0.81 1.22 0.07 3.15 2.07 -1.83 0.31 116.25 122.04 3i56 h VAL 215 Ca 0.47 -0.51 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 3i56 h VAL 215 Cb 0.63 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3i56 h VAL 215 CO -0.23 0.24 -1.62 0.50 0.02 0.00 0.00 177.57 176.48 3i56 h LYS 216 N 1.05 0.15 -0.34 1.57 3.64 -1.77 -2.84 116.57 118.02 3i56 h LYS 216 Ca 0.27 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3i56 h LYS 216 Cb -0.01 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3i56 h LYS 216 CO -0.05 1.12 -0.05 -0.09 -2.27 0.00 0.00 179.45 178.11 3i56 h ARG 217 N -0.44 0.64 -0.00 1.90 2.43 -0.72 -3.35 114.38 114.85 3i56 h ARG 217 Ca -0.38 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3i56 h ARG 217 Cb 1.69 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 3i56 h ARG 217 CO -0.05 0.80 -0.06 0.91 -1.51 0.00 0.00 179.97 180.06 3i56 n TRP 218 N -4.45 0.00 -3.28 2.20 7.02 0.91 -5.01 117.44 114.82 3i56 n TRP 218 Ca -0.02 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.29 3i56 n TRP 218 Cb 0.31 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.27 3i56 n TRP 218 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3i56 n GLY 219 N 0.53 -0.21 3.93 6.99 0.00 -0.19 -3.16 105.19 113.08 3i56 n GLY 219 Ca 0.02 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3i56 n GLY 219 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i56 s VAL 220 N -3.26 2.18 0.74 1.61 -7.23 -1.16 -4.83 120.40 108.44 3i56 s VAL 220 Ca 0.31 -0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.14 3i56 s VAL 220 Cb -0.14 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.88 3i56 s VAL 220 CO 0.57 0.00 1.10 -1.10 -0.31 0.00 0.00 175.10 175.36 3i56 s GLN 221 N -5.38 2.54 0.46 4.82 -0.21 -1.26 -4.48 119.66 116.15 3i56 s GLN 221 Ca 0.63 0.55 0.00 0.00 0.02 0.00 0.00 55.36 56.56 3i56 s GLN 221 Cb -0.09 -1.98 -0.00 0.00 1.00 0.00 0.00 33.01 31.94 3i56 s GLN 221 CO 0.46 -1.28 0.68 0.15 -2.12 0.00 0.00 175.29 173.19 3i56 s LYS 222 N -5.27 3.06 0.10 2.91 1.02 -1.26 -4.81 119.74 115.50 3i56 s LYS 222 Ca 0.59 -0.46 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 3i56 s LYS 222 Cb -0.12 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.57 3i56 s LYS 222 CO 0.53 -0.29 1.33 1.03 -0.92 0.00 0.00 175.35 177.03 3i56 s ARG 223 N -4.58 4.36 0.45 1.68 1.81 -0.26 -5.01 118.95 117.40 3i56 s ARG 223 Ca 0.49 1.98 0.03 0.00 -1.72 0.00 0.00 55.73 56.51 3i56 s ARG 223 Cb -0.10 -3.28 0.01 0.00 -0.45 0.00 0.00 34.95 31.13 3i56 s ARG 223 CO 0.38 -0.38 0.64 0.15 -0.68 0.00 0.00 175.30 175.41 3i56 s LYS 224 N 1.07 2.87 2.61 3.54 -0.14 -1.26 -4.17 119.74 124.25 3i56 s LYS 224 Ca 0.63 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 3i56 s LYS 224 Cb -0.35 -2.63 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 3i56 s LYS 224 CO 0.30 -0.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.97 3i56 n GLY 225 N -2.02 2.89 0.21 -3.33 0.00 -1.26 -1.94 105.19 99.74 3i56 n GLY 225 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.21 3i56 n GLY 225 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i56 h LYS 226 N 0.00 0.00 -0.16 1.61 3.64 -2.02 -2.84 116.57 116.79 3i56 h LYS 226 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3i56 h LYS 226 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3i56 h LYS 226 CO 0.00 0.29 -0.18 0.45 -2.27 0.00 0.00 179.45 177.75 3i56 h HIS 227 N 0.00 0.29 0.00 1.91 3.86 -1.74 -2.92 115.15 116.55 3i56 h HIS 227 Ca -0.00 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3i56 h HIS 227 Cb 0.71 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 3i56 h HIS 227 CO 0.00 0.44 -0.09 0.00 0.86 0.00 0.00 177.93 179.14 3i56 h ALA 228 N 1.57 1.40 -0.01 2.45 0.00 -1.26 -2.78 119.26 120.63 3i56 h ALA 228 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i56 h ALA 228 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i56 h ALA 228 CO 0.03 0.12 -0.72 0.54 0.00 0.00 0.00 179.25 179.22 3i56 n ARG 229 N -3.77 0.46 0.19 0.00 1.74 -1.10 -4.57 116.66 109.61 3i56 n ARG 229 Ca -0.02 -0.37 0.14 0.00 -0.77 0.00 0.00 57.85 56.83 3i56 n ARG 229 Cb 0.20 -1.49 0.53 0.00 -1.02 0.00 0.00 32.46 30.67 3i56 n ARG 229 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3i56 h GLN 230 N 0.90 0.00 0.00 5.56 1.08 -1.54 -3.45 115.11 117.66 3i56 h GLN 230 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i56 h GLN 230 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3i56 h GLN 230 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 3i56 n GLY 231 N 0.25 0.31 2.91 3.46 0.00 -1.26 -5.09 105.19 105.76 3i56 n GLY 231 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3i56 n GLY 231 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i56 s TRP 232 N -1.28 1.98 -0.06 1.61 0.51 -1.26 -5.01 118.94 115.43 3i56 s TRP 232 Ca 0.00 -1.37 -0.04 0.00 -2.12 0.00 0.00 56.10 52.56 3i56 s TRP 232 Cb 0.00 -1.42 -0.03 0.00 -0.81 0.00 0.00 33.47 31.20 3i56 s TRP 232 CO 0.00 -0.69 -0.11 0.54 -0.51 0.00 0.00 176.95 176.18 3i56 n ARG 233 N 4.79 0.17 -1.60 4.98 1.74 -1.26 -4.23 116.66 121.25 3i56 n ARG 233 Ca -0.12 0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 3i56 n ARG 233 Cb 0.46 -0.79 0.08 0.00 -1.02 0.00 0.00 32.46 31.19 3i56 n ARG 233 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i56 n ARG 234 N -3.46 3.01 -5.22 5.56 1.74 -1.26 -1.11 116.66 115.93 3i56 n ARG 234 Ca -0.14 -3.88 -0.30 0.00 -0.77 0.00 0.00 57.85 52.76 3i56 n ARG 234 Cb 0.52 -2.10 -0.16 0.00 -1.02 0.00 0.00 32.46 29.69 3i56 n ARG 234 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i56 s ARG 235 N -3.51 2.16 0.90 5.56 0.52 -1.26 -4.63 118.95 118.70 3i56 s ARG 235 Ca 0.48 -0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 54.71 3i56 s ARG 235 Cb 0.40 -1.98 0.13 0.00 0.52 0.00 0.00 34.95 34.03 3i56 s ARG 235 CO 0.01 0.47 1.10 0.96 0.02 0.00 0.00 175.30 177.86 3i56 s ILE 236 N -0.41 2.57 0.08 1.52 -4.36 -1.26 -4.80 121.20 114.54 3i56 s ILE 236 Ca 0.05 0.19 -0.36 0.00 -0.26 0.00 0.00 60.65 60.27 3i56 s ILE 236 Cb -0.11 -2.47 -0.18 0.00 1.25 0.00 0.00 42.46 40.95 3i56 s ILE 236 CO 0.01 -0.24 1.58 1.23 0.24 0.00 0.00 174.94 177.75 3i56 h GLY 237 N -1.68 -1.21 -2.92 6.27 0.00 -2.00 -3.46 103.07 98.07 3i56 h GLY 237 Ca -0.47 0.53 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 3i56 h GLY 237 CO 0.49 -0.40 -0.33 0.54 0.00 0.00 0.00 176.54 176.84 3i56 s ASN 238 N -4.31 0.06 0.00 0.19 4.22 -1.26 -5.04 114.94 108.79 3i56 s ASN 238 Ca -0.18 -0.76 0.13 0.00 -2.14 0.00 0.00 52.86 49.91 3i56 s ASN 238 Cb 0.04 0.40 0.37 0.00 1.28 0.00 0.00 41.25 43.33 3i56 s ASN 238 CO 0.61 -0.83 1.30 0.18 -2.04 0.00 0.00 177.10 176.32 3i56 n LEU 239 N -0.15 2.08 0.00 3.54 4.77 -1.26 -5.01 117.00 120.97 3i56 n LEU 239 Ca -0.11 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3i56 n LEU 239 Cb 0.63 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3i56 n LEU 239 CO 0.23 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3i56 n GLY 240 N 1.13 2.05 0.09 -0.72 0.00 -1.26 -4.43 105.19 102.04 3i56 n GLY 240 Ca 0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 3i56 n GLY 240 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i56 n PRO 241 N -1.81 -0.68 0.08 1.61 -0.04 -1.26 -5.01 135.00 127.89 3i56 n PRO 241 Ca 0.00 -0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 3i56 n PRO 241 Cb 0.00 -0.04 -0.06 0.00 -0.04 0.00 0.00 33.50 33.36 3i56 n PRO 241 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 3i56 h TRP 242 N -1.34 -0.26 -3.36 0.54 2.91 -2.00 -3.44 115.95 108.99 3i56 h TRP 242 Ca -0.01 -0.01 -0.66 0.00 1.13 0.00 0.00 58.89 59.34 3i56 h TRP 242 Cb 0.03 0.09 -0.29 0.00 -0.51 0.00 0.00 29.16 28.48 3i56 h TRP 242 CO 0.00 0.10 -0.80 -0.80 -1.03 0.00 0.00 178.44 175.91 3i56 s ASN 243 N -5.35 3.72 0.22 2.65 0.01 -1.26 -3.11 114.94 111.83 3i56 s ASN 243 Ca -0.11 -0.39 -0.31 0.00 -0.71 0.00 0.00 52.86 51.34 3i56 s ASN 243 Cb 0.00 -1.52 -0.11 0.00 0.41 0.00 0.00 41.25 40.04 3i56 s ASN 243 CO 0.40 0.17 1.56 -2.16 -1.51 0.00 0.00 177.10 175.56 3i56 s PRO 244 N 0.30 4.19 0.00 -0.60 0.04 -1.26 -5.06 135.00 132.61 3i56 s PRO 244 Ca -0.13 2.43 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 3i56 s PRO 244 Cb -0.16 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 3i56 s PRO 244 CO 0.07 -0.59 1.77 0.43 0.04 0.00 0.00 177.00 178.72 3i56 n SER 245 N 3.14 2.38 -3.70 6.66 7.64 -1.18 -4.71 113.62 123.84 3i56 n SER 245 Ca 0.11 -1.90 -0.09 0.00 1.01 0.00 0.00 58.87 58.00 3i56 n SER 245 Cb 0.38 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 3i56 n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i56 s ARG 246 N 1.95 1.48 -0.25 1.43 1.70 -1.26 -5.14 118.95 118.86 3i56 s ARG 246 Ca 0.26 -0.81 -0.11 0.00 -0.47 0.00 0.00 55.73 54.60 3i56 s ARG 246 Cb 0.12 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 35.02 3i56 s ARG 246 CO 0.00 -0.65 0.19 0.08 -1.08 0.00 0.00 175.30 173.84 3i56 s VAL 247 N -3.86 5.33 0.57 4.99 1.01 -1.26 -4.88 120.40 122.30 3i56 s VAL 247 Ca 0.08 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 3i56 s VAL 247 Cb -0.02 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3i56 s VAL 247 CO -0.02 0.31 1.04 -0.13 0.00 0.00 0.00 175.10 176.30 3i56 s ARG 248 N 1.31 3.48 0.00 2.72 0.52 -1.26 -4.94 118.95 120.78 3i56 s ARG 248 Ca 0.08 1.15 0.23 0.00 -0.52 0.00 0.00 55.73 56.67 3i56 s ARG 248 Cb -0.14 -2.06 0.98 0.00 0.52 0.00 0.00 34.95 34.24 3i56 s ARG 248 CO 0.07 -0.67 1.73 -1.13 0.02 0.00 0.00 175.30 175.32 3i56 n SER 249 N -1.90 0.00 0.10 0.23 3.41 -1.26 -2.98 113.62 111.21 3i56 n SER 249 Ca 0.08 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3i56 n SER 249 Cb 0.53 -0.50 0.28 0.00 -0.26 0.00 0.00 64.21 64.26 3i56 n SER 249 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3i56 h THR 250 N 0.00 0.00 -3.22 6.66 1.35 -2.00 -3.45 112.91 112.24 3i56 h THR 250 Ca 0.00 -0.55 -0.55 0.00 -0.55 0.00 0.00 66.41 64.75 3i56 h THR 250 Cb 0.39 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 3i56 h THR 250 CO 0.00 0.00 0.59 0.68 -0.25 0.00 0.00 175.52 176.54 3i56 s VAL 251 N -3.15 4.61 -0.29 6.82 -7.23 -1.16 -4.96 120.40 115.05 3i56 s VAL 251 Ca 0.08 1.90 -0.33 0.00 -1.81 0.00 0.00 61.98 61.81 3i56 s VAL 251 Cb 0.12 -4.22 -0.10 0.00 0.56 0.00 0.00 36.38 32.75 3i56 s VAL 251 CO 0.66 0.02 2.17 -0.81 -0.31 0.00 0.00 175.10 176.83 3i56 n PRO 252 N 4.95 1.41 -4.55 4.82 -0.04 -1.26 -4.97 135.00 135.35 3i56 n PRO 252 Ca 0.09 0.40 -0.25 0.00 -0.04 0.00 0.00 63.50 63.69 3i56 n PRO 252 Cb 0.48 -2.70 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 3i56 n PRO 252 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i56 s GLN 253 N 6.08 1.83 0.79 0.54 -0.21 -1.26 -4.88 119.66 122.56 3i56 s GLN 253 Ca 1.06 -2.02 -0.11 0.00 0.02 0.00 0.00 55.36 54.30 3i56 s GLN 253 Cb -0.70 -1.35 0.07 0.00 1.00 0.00 0.00 33.01 32.03 3i56 s GLN 253 CO 0.45 -0.09 1.09 -1.14 -2.12 0.00 0.00 175.29 173.48 3i56 s GLN 254 N -3.77 2.11 0.00 2.91 -0.44 -1.26 -4.54 119.66 114.66 3i56 s GLN 254 Ca 0.35 0.81 0.00 0.00 -2.50 0.00 0.00 55.36 54.02 3i56 s GLN 254 Cb 0.09 -1.91 0.00 0.00 -1.64 0.00 0.00 33.01 29.55 3i56 s GLN 254 CO 0.17 -1.65 0.00 0.41 0.50 0.00 0.00 175.29 174.72 3i56 n GLY 255 N -1.76 0.31 3.73 2.59 0.00 -0.99 -5.01 105.19 104.06 3i56 n GLY 255 Ca 0.07 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3i56 n GLY 255 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i56 s GLN 256 N -2.00 4.16 -0.00 1.61 -1.52 -1.26 -1.18 119.66 119.47 3i56 s GLN 256 Ca 0.00 2.51 0.04 0.00 -1.95 0.00 0.00 55.36 55.96 3i56 s GLN 256 Cb 0.00 -3.09 -0.01 0.00 -0.22 0.00 0.00 33.01 29.69 3i56 s GLN 256 CO 0.00 -0.66 -0.13 0.95 -0.25 0.00 0.00 175.29 175.20 3i56 s THR 257 N 0.87 1.02 0.06 -0.19 -4.23 -0.25 -4.70 115.64 108.22 3i56 s THR 257 Ca 0.70 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3i56 s THR 257 Cb -0.47 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.50 3i56 s THR 257 CO 0.35 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 3i56 n GLY 258 N 2.59 -1.88 3.49 3.99 0.00 -1.26 -1.73 105.19 110.39 3i56 n GLY 258 Ca -0.15 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 3i56 n GLY 258 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i56 n TYR 259 N -2.46 -2.52 -4.68 1.61 9.36 -1.14 -4.67 117.16 112.65 3i56 n TYR 259 Ca -0.00 0.97 -0.30 0.00 3.32 0.00 0.00 57.90 61.89 3i56 n TYR 259 Cb 0.10 -5.02 -0.14 0.00 -0.63 0.00 0.00 39.34 33.65 3i56 n TYR 259 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 3i56 s HIS 260 N -3.33 2.33 0.00 2.98 3.76 -1.26 -1.22 115.29 118.54 3i56 s HIS 260 Ca 0.30 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.52 3i56 s HIS 260 Cb -0.13 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.19 3i56 s HIS 260 CO 0.72 0.22 1.04 -1.14 -0.85 0.00 0.00 174.74 174.73 3i56 s GLN 261 N -1.59 4.51 -0.02 1.40 0.74 -1.26 -0.85 119.66 122.59 3i56 s GLN 261 Ca 0.13 1.50 0.02 0.00 0.05 0.00 0.00 55.36 57.06 3i56 s GLN 261 Cb -0.10 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3i56 s GLN 261 CO 0.04 -0.14 -0.08 1.03 -0.55 0.00 0.00 175.29 175.59 3i56 s ARG 262 N 1.17 0.83 -0.47 1.67 1.81 0.49 -4.97 118.95 119.47 3i56 s ARG 262 Ca 0.53 -0.26 -0.04 0.00 -1.72 0.00 0.00 55.73 54.24 3i56 s ARG 262 Cb -0.23 -0.79 0.12 0.00 -0.45 0.00 0.00 34.95 33.61 3i56 s ARG 262 CO 0.27 0.10 0.28 0.99 -0.68 0.00 0.00 175.30 176.26 3i56 s THR 263 N 0.18 3.50 -0.35 0.02 2.01 -1.26 -0.83 115.64 118.91 3i56 s THR 263 Ca -0.03 -2.24 -0.27 0.00 0.31 0.00 0.00 61.69 59.46 3i56 s THR 263 Cb -0.08 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.09 3i56 s THR 263 CO 0.00 -0.75 1.00 -1.61 -0.69 0.00 0.00 174.62 172.58 3i56 s GLU 264 N 0.88 3.95 0.47 4.92 2.02 -0.02 -4.93 118.70 125.99 3i56 s GLU 264 Ca 0.10 0.81 -0.20 0.00 0.02 0.00 0.00 54.97 55.71 3i56 s GLU 264 Cb -0.22 -3.77 -0.09 0.00 0.10 0.00 0.00 34.13 30.14 3i56 s GLU 264 CO -0.04 -0.94 0.99 -0.51 0.02 0.00 0.00 175.26 174.78 3i56 s LEU 265 N 3.59 3.83 -1.02 1.80 1.02 -1.26 -1.75 118.68 124.91 3i56 s LEU 265 Ca 0.42 1.75 -0.14 0.00 0.02 0.00 0.00 54.13 56.18 3i56 s LEU 265 Cb -0.12 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.54 3i56 s LEU 265 CO 0.18 -0.57 0.76 0.59 0.02 0.00 0.00 176.35 177.32 3i56 n ASN 266 N -0.97 -5.74 -4.59 2.29 3.02 -1.23 -4.97 115.26 103.07 3i56 n ASN 266 Ca 0.08 -0.84 -0.37 0.00 -0.03 0.00 0.00 54.58 53.42 3i56 n ASN 266 Cb 0.53 -3.51 -0.11 0.00 -0.61 0.00 0.00 39.78 36.09 3i56 n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i56 s LYS 267 N -5.24 3.94 0.04 3.52 -0.14 0.17 -4.85 119.74 117.18 3i56 s LYS 267 Ca 0.32 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.30 3i56 s LYS 267 Cb -0.11 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.41 3i56 s LYS 267 CO 0.84 -0.12 1.00 0.50 -0.76 0.00 0.00 175.35 176.82 3i56 s ARG 268 N 1.55 4.58 -0.56 1.68 3.52 -1.26 0.03 118.95 128.49 3i56 s ARG 268 Ca 0.07 1.47 -0.23 0.00 -0.13 0.00 0.00 55.73 56.92 3i56 s ARG 268 Cb -0.15 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 3i56 s ARG 268 CO 0.08 0.00 0.88 -0.51 -0.81 0.00 0.00 175.30 174.94 3i56 s LEU 269 N 0.71 4.35 0.12 -0.88 1.43 -0.76 -0.55 118.68 123.11 3i56 s LEU 269 Ca 0.51 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 3i56 s LEU 269 Cb -0.23 -2.66 -0.07 0.00 0.03 0.00 0.00 46.19 43.26 3i56 s LEU 269 CO 0.29 -1.20 1.44 0.40 0.23 0.00 0.00 176.35 177.51 3i56 h ILE 270 N 5.98 1.29 -1.86 -0.59 1.08 -1.27 0.41 117.51 122.55 3i56 h ILE 270 Ca -0.27 -1.53 -0.01 0.00 -0.39 0.00 0.00 64.86 62.66 3i56 h ILE 270 Cb 1.08 1.51 -0.21 0.00 -3.07 0.00 0.00 36.82 36.12 3i56 h ILE 270 CO 1.08 0.50 0.28 -0.62 -0.69 0.00 0.00 178.15 178.70 3i56 s ASP 271 N -6.71 -0.60 -0.10 1.72 2.15 -1.21 -4.55 116.67 107.37 3i56 s ASP 271 Ca -0.12 0.88 0.02 0.00 0.43 0.00 0.00 52.55 53.77 3i56 s ASP 271 Cb 0.10 0.80 0.01 0.00 -0.30 0.00 0.00 42.92 43.53 3i56 s ASP 271 CO 0.86 -0.39 -0.17 -0.63 -0.17 0.00 0.00 175.17 174.67 3i56 s ILE 272 N -0.53 1.62 0.00 4.11 1.01 -1.26 -0.59 121.20 125.56 3i56 s ILE 272 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3i56 s ILE 272 Cb -0.02 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3i56 s ILE 272 CO 0.03 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3i56 n GLY 273 N 4.00 3.17 3.20 6.18 0.00 -1.18 -5.00 105.19 115.57 3i56 n GLY 273 Ca -0.20 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 3i56 n GLY 273 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i56 s GLU 274 N 0.38 0.62 0.00 1.61 2.12 -1.26 -1.61 118.70 120.56 3i56 s GLU 274 Ca 0.00 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3i56 s GLU 274 Cb 0.00 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.66 3i56 s GLU 274 CO 0.00 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 3i56 n GLY 275 N 1.34 -0.20 0.91 -1.50 0.00 -0.68 -4.73 105.19 100.33 3i56 n GLY 275 Ca -0.22 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 43.80 3i56 n GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i56 n ASP 276 N 0.00 3.25 0.10 1.61 5.75 -1.26 -1.80 116.55 124.20 3i56 n ASP 276 Ca 0.00 -3.29 0.02 0.00 -0.01 0.00 0.00 54.79 51.52 3i56 n ASP 276 Cb 0.00 -0.57 0.39 0.00 -1.03 0.00 0.00 41.12 39.91 3i56 n ASP 276 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3i56 h GLU 277 N 1.34 0.28 -0.01 0.11 3.07 -1.85 -3.21 114.58 114.31 3i56 h GLU 277 Ca 0.08 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3i56 h GLU 277 Cb 1.48 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3i56 h GLU 277 CO 0.26 0.38 -0.42 -0.35 -1.40 0.00 0.00 179.01 177.49 3i56 n PRO 278 N -4.30 1.10 -1.74 2.33 -0.04 -1.26 -4.86 135.00 126.22 3i56 n PRO 278 Ca -0.00 -0.85 -0.39 0.00 -0.04 0.00 0.00 63.50 62.21 3i56 n PRO 278 Cb 0.25 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 3i56 n PRO 278 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i56 n THR 279 N -0.21 3.22 -3.37 0.52 -1.04 -1.21 -4.84 114.28 107.35 3i56 n THR 279 Ca 0.10 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.33 3i56 n THR 279 Cb 0.43 -1.71 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 3i56 n THR 279 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i56 s VAL 280 N -1.24 5.05 0.02 12.58 0.11 -1.26 -4.52 120.40 131.14 3i56 s VAL 280 Ca 0.66 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.36 3i56 s VAL 280 Cb -0.44 -3.75 -0.06 0.00 -1.53 0.00 0.00 36.38 30.60 3i56 s VAL 280 CO 0.54 -0.34 1.43 -1.81 -3.33 0.00 0.00 175.10 171.59 3i56 s ASP 281 N -3.27 6.82 0.00 3.54 1.01 0.12 -2.30 116.67 122.59 3i56 s ASP 281 Ca 0.43 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.88 3i56 s ASP 281 Cb -0.11 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.26 3i56 s ASP 281 CO 0.31 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.57 3i56 n GLY 282 N 3.67 0.76 0.00 0.21 0.00 -1.26 -4.17 105.19 104.40 3i56 n GLY 282 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3i56 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 283 N -2.23 -1.48 3.68 -0.02 0.00 -0.97 -4.88 105.19 99.28 3i56 n GLY 283 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3i56 n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i56 s PHE 284 N -3.29 2.57 -0.06 1.61 0.40 0.36 -4.80 117.98 114.77 3i56 s PHE 284 Ca 0.00 0.56 -0.33 0.00 -0.60 0.00 0.00 56.93 56.56 3i56 s PHE 284 Cb 0.00 -3.80 -0.11 0.00 0.51 0.00 0.00 43.02 39.62 3i56 s PHE 284 CO 0.00 -3.12 1.90 0.28 0.70 0.00 0.00 175.22 174.98 3i56 n VAL 285 N 4.83 0.61 -1.52 -0.44 0.31 -1.26 -1.23 118.33 119.64 3i56 n VAL 285 Ca 0.15 -0.11 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 3i56 n VAL 285 Cb 0.42 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 3i56 n VAL 285 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i56 n ASN 286 N 6.80 -4.05 0.00 4.52 3.02 -1.26 -4.86 115.26 119.43 3i56 n ASN 286 Ca 0.22 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 3i56 n ASN 286 Cb 0.32 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 3i56 n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i56 n TYR 287 N -3.02 0.00 -1.78 3.10 9.36 -0.37 -4.82 117.16 119.64 3i56 n TYR 287 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 3i56 n TYR 287 Cb 0.40 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 3i56 n TYR 287 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3i56 n GLY 288 N 1.30 -0.36 3.88 2.98 0.00 -0.90 -4.79 105.19 107.31 3i56 n GLY 288 Ca 0.00 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 3i56 n GLY 288 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 289 N -2.00 3.50 -0.24 1.61 2.02 -1.26 -0.49 118.70 121.84 3i56 s GLU 289 Ca 0.00 -0.13 -0.08 0.00 0.02 0.00 0.00 54.97 54.78 3i56 s GLU 289 Cb 0.00 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 3i56 s GLU 289 CO 0.00 0.72 0.10 0.08 0.02 0.00 0.00 175.26 176.18 3i56 s VAL 290 N -1.17 4.65 -0.37 2.63 1.01 -1.26 -4.77 120.40 121.13 3i56 s VAL 290 Ca 0.22 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.19 3i56 s VAL 290 Cb -0.13 -3.17 0.17 0.00 0.00 0.00 0.00 36.38 33.25 3i56 s VAL 290 CO 0.11 0.34 0.49 -0.62 0.00 0.00 0.00 175.10 175.42 3i56 s ASP 291 N 1.42 -0.18 0.00 3.32 2.15 -1.24 -4.16 116.67 117.97 3i56 s ASP 291 Ca 0.06 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.08 3i56 s ASP 291 Cb -0.15 1.29 0.00 0.00 -0.30 0.00 0.00 42.92 43.76 3i56 s ASP 291 CO 0.05 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 3i56 n GLY 292 N 4.58 -0.39 3.66 2.66 0.00 -0.75 -4.82 105.19 110.13 3i56 n GLY 292 Ca 0.09 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3i56 n GLY 292 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i56 s PRO 293 N -2.00 4.16 0.30 1.61 0.02 -1.26 -1.69 135.00 136.15 3i56 s PRO 293 Ca 0.00 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.46 3i56 s PRO 293 Cb 0.00 -4.04 -0.01 0.00 0.02 0.00 0.00 34.50 30.47 3i56 s PRO 293 CO 0.00 -0.89 0.13 2.48 -0.33 0.00 0.00 177.00 178.39 3i56 n TYR 294 N 7.21 -0.04 -3.69 6.54 0.18 -0.63 -0.57 117.16 126.17 3i56 n TYR 294 Ca 0.18 -2.05 -0.12 0.00 1.88 0.00 0.00 57.90 57.80 3i56 n TYR 294 Cb 0.42 0.04 -0.09 0.00 -0.38 0.00 0.00 39.34 39.33 3i56 n TYR 294 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3i56 s THR 295 N -2.79 -0.01 -0.35 -3.48 2.01 -0.16 -3.11 115.64 107.76 3i56 s THR 295 Ca 0.19 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 3i56 s THR 295 Cb 0.01 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.83 3i56 s THR 295 CO 0.13 0.01 0.14 -0.76 -0.69 0.00 0.00 174.62 173.46 3i56 s LEU 296 N 0.75 4.41 -0.18 4.42 1.43 0.24 -1.37 118.68 128.37 3i56 s LEU 296 Ca -0.04 -1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 51.98 3i56 s LEU 296 Cb -0.05 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3i56 s LEU 296 CO -0.06 -0.33 0.06 -0.69 0.23 0.00 0.00 176.35 175.56 3i56 s VAL 297 N 1.48 4.72 0.18 -1.59 1.01 -0.43 -0.72 120.40 125.05 3i56 s VAL 297 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 61.98 61.60 3i56 s VAL 297 Cb -0.19 -3.13 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 3i56 s VAL 297 CO 0.04 0.46 1.70 1.17 0.00 0.00 0.00 175.10 178.47 3i56 n LYS 298 N 3.61 2.59 0.00 2.72 4.81 0.29 -0.64 118.16 131.53 3i56 n LYS 298 Ca -0.17 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 3i56 n LYS 298 Cb 0.52 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.80 3i56 n LYS 298 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i56 n GLY 299 N 3.86 0.04 3.87 3.14 0.00 -0.14 -4.62 105.19 111.35 3i56 n GLY 299 Ca 0.17 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3i56 n GLY 299 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i56 s SER 300 N -4.00 6.43 -0.01 1.61 1.04 -1.26 -3.45 113.70 114.06 3i56 s SER 300 Ca 0.00 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.69 3i56 s SER 300 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.75 3i56 s SER 300 CO 0.00 -0.58 -0.01 -0.69 0.98 0.00 0.00 173.24 172.94 3i56 s VAL 301 N -2.67 0.17 0.60 5.02 1.01 -1.26 -5.03 120.40 118.24 3i56 s VAL 301 Ca 0.53 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 3i56 s VAL 301 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3i56 s VAL 301 CO 0.39 0.09 1.27 -2.16 0.00 0.00 0.00 175.10 174.69 3i56 s PRO 302 N 0.46 2.85 0.00 2.72 0.04 -1.26 -4.88 135.00 134.92 3i56 s PRO 302 Ca -0.04 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3i56 s PRO 302 Cb -0.07 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3i56 s PRO 302 CO -0.01 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.09 3i56 n GLY 303 N 0.72 0.60 1.24 0.56 0.00 -1.25 -4.70 105.19 102.35 3i56 n GLY 303 Ca 0.14 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 3i56 n GLY 303 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i56 n PRO 304 N 0.68 0.23 -2.18 1.61 -0.04 -1.26 -4.77 135.00 129.26 3i56 n PRO 304 Ca 0.00 -0.83 -0.35 0.00 -0.04 0.00 0.00 63.50 62.28 3i56 n PRO 304 Cb 0.00 -0.26 0.01 0.00 -0.04 0.00 0.00 33.50 33.21 3i56 n PRO 304 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i56 s ASP 305 N -2.35 5.57 0.00 3.54 1.01 -1.26 -2.91 116.67 120.28 3i56 s ASP 305 Ca 0.22 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.68 3i56 s ASP 305 Cb -0.01 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3i56 s ASP 305 CO 0.15 -1.32 0.00 0.29 0.21 0.00 0.00 175.17 174.50 3i56 n LYS 306 N -1.43 0.00 -2.72 8.23 5.02 -0.26 -4.98 118.16 122.02 3i56 n LYS 306 Ca 0.12 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 3i56 n LYS 306 Cb 0.51 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.23 3i56 n LYS 306 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3i56 s ARG 307 N -0.02 4.31 -0.05 1.97 3.52 -1.14 -4.68 118.95 122.84 3i56 s ARG 307 Ca 0.00 1.31 -0.30 0.00 -0.13 0.00 0.00 55.73 56.61 3i56 s ARG 307 Cb 0.00 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 3i56 s ARG 307 CO 0.00 0.02 1.10 -1.17 -0.81 0.00 0.00 175.30 174.44 3i56 s LEU 308 N -2.68 4.29 0.03 -0.88 2.96 -1.26 -1.26 118.68 119.88 3i56 s LEU 308 Ca 0.57 1.72 0.09 0.00 -0.22 0.00 0.00 54.13 56.29 3i56 s LEU 308 Cb -0.16 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3i56 s LEU 308 CO 0.21 -0.48 -0.26 0.68 -1.32 0.00 0.00 176.35 175.18 3i56 s VAL 309 N 1.85 2.11 0.06 1.68 -7.23 -0.91 -4.65 120.40 113.31 3i56 s VAL 309 Ca 0.53 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 3i56 s VAL 309 Cb -0.22 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3i56 s VAL 309 CO 0.22 0.43 0.04 -0.13 -0.31 0.00 0.00 175.10 175.35 3i56 s ARG 310 N -1.05 2.79 0.19 4.82 0.52 -0.86 -1.98 118.95 123.38 3i56 s ARG 310 Ca 0.11 -0.69 0.10 0.00 -0.52 0.00 0.00 55.73 54.73 3i56 s ARG 310 Cb -0.10 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 3i56 s ARG 310 CO 0.01 0.58 -0.16 -0.06 0.02 0.00 0.00 175.30 175.69 3i56 s PHE 311 N -1.28 2.47 -0.25 -0.53 0.40 0.62 -1.50 117.98 117.92 3i56 s PHE 311 Ca 0.26 -0.29 -0.26 0.00 -0.60 0.00 0.00 56.93 56.04 3i56 s PHE 311 Cb -0.12 -1.21 0.09 0.00 0.51 0.00 0.00 43.02 42.29 3i56 s PHE 311 CO 0.18 0.51 0.81 0.50 0.70 0.00 0.00 175.22 177.92 3i56 s ARG 312 N -2.78 0.76 0.18 0.44 3.52 -0.99 -2.60 118.95 117.49 3i56 s ARG 312 Ca 0.23 0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 56.32 3i56 s ARG 312 Cb -0.08 0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 33.59 3i56 s ARG 312 CO 0.13 -0.11 1.39 -2.14 -0.81 0.00 0.00 175.30 173.75 3i56 s PRO 313 N 0.15 4.32 -0.38 5.12 0.02 -1.26 0.37 135.00 143.35 3i56 s PRO 313 Ca -0.00 2.15 -0.43 0.00 0.02 0.00 0.00 61.00 62.74 3i56 s PRO 313 Cb -0.04 -3.19 -0.17 0.00 0.02 0.00 0.00 34.50 31.12 3i56 s PRO 313 CO -0.00 -0.38 1.72 0.00 -0.33 0.00 0.00 177.00 178.00 3i56 n ALA 314 N 3.08 -0.59 0.22 -1.55 0.00 -0.81 -4.68 120.51 116.19 3i56 n ALA 314 Ca 0.09 0.41 0.11 0.00 0.00 0.00 0.00 53.44 54.05 3i56 n ALA 314 Cb 0.42 -2.11 0.38 0.00 0.00 0.00 0.00 19.45 18.14 3i56 n ALA 314 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i56 h VAL 315 N 5.26 0.32 -2.02 0.00 -1.51 -1.92 -3.39 116.25 112.99 3i56 h VAL 315 Ca -0.44 -1.10 -0.45 0.00 -1.23 0.00 0.00 66.70 63.48 3i56 h VAL 315 Cb 1.34 1.86 -0.32 0.00 -2.13 0.00 0.00 31.29 32.04 3i56 h VAL 315 CO 0.98 0.15 -0.80 0.00 -1.23 0.00 0.00 177.57 176.67 3i56 s ARG 316 N -3.44 0.82 0.33 5.19 1.70 -1.26 -4.97 118.95 117.32 3i56 s ARG 316 Ca 0.03 -1.50 -0.16 0.00 -0.47 0.00 0.00 55.73 53.63 3i56 s ARG 316 Cb 0.08 -0.96 -0.09 0.00 -0.57 0.00 0.00 34.95 33.41 3i56 s ARG 316 CO 0.64 -1.31 0.77 -2.14 -1.08 0.00 0.00 175.30 172.18 3i56 s PRO 317 N 0.69 4.06 -0.18 3.89 0.02 -1.26 -4.79 135.00 137.42 3i56 s PRO 317 Ca 0.26 0.75 -0.05 0.00 0.02 0.00 0.00 61.00 61.99 3i56 s PRO 317 Cb -0.05 -2.42 -0.22 0.00 0.02 0.00 0.00 34.50 31.83 3i56 s PRO 317 CO -0.10 0.14 0.12 0.09 -0.33 0.00 0.00 177.00 176.92 3i56 n ASN 318 N -0.33 2.05 -4.80 2.53 3.02 -1.26 -4.99 115.26 111.48 3i56 n ASN 318 Ca 0.04 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.48 3i56 n ASN 318 Cb 0.53 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 3i56 n ASN 318 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3i56 s ASP 319 N -6.88 5.12 0.05 6.41 1.01 -1.26 -5.12 116.67 116.01 3i56 s ASP 319 Ca -0.28 -0.52 -0.24 0.00 0.71 0.00 0.00 52.55 52.22 3i56 s ASP 319 Cb 0.08 -0.99 -0.06 0.00 1.01 0.00 0.00 42.92 42.96 3i56 s ASP 319 CO 0.68 -0.24 0.72 -1.58 0.21 0.00 0.00 175.17 174.96 3i56 s GLN 320 N -3.90 4.45 0.17 8.23 2.00 -1.26 -5.01 119.66 124.33 3i56 s GLN 320 Ca 0.38 0.98 -0.34 0.00 -2.00 0.00 0.00 55.36 54.38 3i56 s GLN 320 Cb -0.05 -3.34 -0.14 0.00 0.80 0.00 0.00 33.01 30.28 3i56 s GLN 320 CO 0.25 0.36 1.60 -2.30 -0.50 0.00 0.00 175.29 174.70 3i56 n PRO 321 N 2.55 2.24 -3.85 1.67 -0.02 -1.26 -4.96 135.00 131.38 3i56 n PRO 321 Ca -0.04 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 3i56 n PRO 321 Cb 0.50 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 3i56 n PRO 321 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i56 s ARG 322 N 0.98 2.39 0.75 -0.52 3.00 -1.26 -5.07 118.95 119.23 3i56 s ARG 322 Ca 0.78 -2.87 -0.15 0.00 0.00 0.00 0.00 55.73 53.49 3i56 s ARG 322 Cb -0.65 -3.52 0.00 0.00 0.00 0.00 0.00 34.95 30.78 3i56 s ARG 322 CO 0.37 -1.19 0.80 1.28 0.00 0.00 0.00 175.30 176.56 3i56 n LEU 323 N 2.81 2.39 -2.95 2.53 4.77 -1.26 -4.44 117.00 120.85 3i56 n LEU 323 Ca 0.11 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.52 3i56 n LEU 323 Cb 0.35 -1.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.11 3i56 n LEU 323 CO 0.32 -2.50 -0.15 0.47 -1.33 0.00 0.00 177.39 174.20 3i56 n ASP 324 N -1.38 -2.90 -4.76 -1.43 9.92 0.21 -4.90 116.55 111.31 3i56 n ASP 324 Ca 0.12 -0.39 -0.38 0.00 -0.53 0.00 0.00 54.79 53.60 3i56 n ASP 324 Cb 0.50 -0.91 0.02 0.00 -0.64 0.00 0.00 41.12 40.09 3i56 n ASP 324 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3i56 s PRO 325 N -2.85 3.47 -0.07 -0.24 0.02 -1.26 -4.96 135.00 129.12 3i56 s PRO 325 Ca 0.08 2.16 -0.30 0.00 0.02 0.00 0.00 61.00 62.97 3i56 s PRO 325 Cb -0.01 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 32.06 3i56 s PRO 325 CO 0.51 -0.90 1.15 -2.00 -0.33 0.00 0.00 177.00 175.43 3i56 s GLU 326 N -2.70 4.37 -0.36 5.54 2.12 -1.26 -5.00 118.70 121.41 3i56 s GLU 326 Ca 0.66 1.60 -0.11 0.00 0.36 0.00 0.00 54.97 57.48 3i56 s GLU 326 Cb -0.38 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.47 3i56 s GLU 326 CO 0.47 -0.41 0.21 0.08 -0.54 0.00 0.00 175.26 175.06 3i56 s VAL 327 N 2.16 4.75 -0.05 3.70 1.01 -1.26 -2.97 120.40 127.73 3i56 s VAL 327 Ca 0.54 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 3i56 s VAL 327 Cb -0.23 -3.56 -0.29 0.00 0.00 0.00 0.00 36.38 32.30 3i56 s VAL 327 CO 0.21 -0.13 0.64 0.03 0.00 0.00 0.00 175.10 175.85 3i56 h ARG 328 N 8.44 0.32 -2.07 2.72 2.47 -1.70 -3.48 114.38 121.08 3i56 h ARG 328 Ca -0.28 -0.54 -0.04 0.00 -1.26 0.00 0.00 59.98 57.86 3i56 h ARG 328 Cb 1.12 0.20 -0.21 0.00 -1.65 0.00 0.00 29.97 29.43 3i56 h ARG 328 CO 0.66 1.21 0.07 -0.47 0.56 0.00 0.00 179.97 182.00 3i56 s TYR 329 N -2.58 -0.82 -0.11 3.04 5.04 -1.21 -4.98 117.35 115.73 3i56 s TYR 329 Ca -0.15 1.90 0.02 0.00 -2.44 0.00 0.00 57.07 56.40 3i56 s TYR 329 Cb 0.06 0.34 -0.01 0.00 0.35 0.00 0.00 41.96 42.70 3i56 s TYR 329 CO 0.83 -0.40 -0.19 0.08 -1.34 0.00 0.00 175.55 174.53 3i56 s VAL 330 N 0.65 2.51 0.14 3.14 1.01 -1.26 0.11 120.40 126.69 3i56 s VAL 330 Ca -0.02 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 3i56 s VAL 330 Cb -0.05 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.26 3i56 s VAL 330 CO -0.04 0.55 0.87 -0.55 0.00 0.00 0.00 175.10 175.93 3i56 s SER 331 N 0.31 7.44 0.00 3.32 0.15 -0.37 -4.93 113.70 119.62 3i56 s SER 331 Ca -0.15 1.71 0.03 0.00 0.70 0.00 0.00 55.95 58.25 3i56 s SER 331 Cb -0.17 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3i56 s SER 331 CO 0.07 0.07 0.72 0.59 1.20 0.00 0.00 173.24 175.89 3i56 n ASN 332 N 2.23 1.51 -4.75 5.45 3.02 -1.26 -4.70 115.26 116.75 3i56 n ASN 332 Ca -0.02 -1.36 -0.41 0.00 -0.03 0.00 0.00 54.58 52.76 3i56 n ASN 332 Cb 0.49 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 3i56 n ASN 332 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i56 s GLU 333 N -0.44 4.11 0.30 3.52 2.12 -1.26 0.16 118.70 127.21 3i56 s GLU 333 Ca 0.04 2.59 -0.27 0.00 0.36 0.00 0.00 54.97 57.69 3i56 s GLU 333 Cb 0.03 -3.01 -0.14 0.00 0.26 0.00 0.00 34.13 31.26 3i56 s GLU 333 CO 0.04 -0.64 0.91 0.45 -0.54 0.00 0.00 175.26 175.48 3i56 n SER 334 N 2.05 0.80 -0.33 -1.70 2.88 -1.26 -4.36 113.62 111.69 3i56 n SER 334 Ca 0.08 1.14 0.07 0.00 -1.33 0.00 0.00 58.87 58.83 3i56 n SER 334 Cb 0.37 -1.24 0.31 0.00 -0.75 0.00 0.00 64.21 62.90 3i56 n SER 334 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3i56 n ASN 335 N 1.25 0.99 -4.22 -3.46 3.02 -1.26 -4.63 115.26 106.95 3i56 n ASN 335 Ca 0.11 -1.75 -0.35 0.00 -0.03 0.00 0.00 54.58 52.56 3i56 n ASN 335 Cb 0.32 -0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.27 3i56 n ASN 335 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3i56 s GLN 336 N -1.82 2.69 0.00 3.52 -0.21 -1.26 -5.02 119.66 117.56 3i56 s GLN 336 Ca 0.24 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.52 3i56 s GLN 336 Cb 0.12 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3i56 s GLN 336 CO 0.18 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 173.24