#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh2 s ASN 2 N 0.00 3.61 -0.12 1.61 0.01 0.31 -1.11 114.94 119.26 3hh2 s ASN 2 Ca 0.00 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 51.45 3hh2 s ASN 2 Cb 0.00 -0.38 -0.02 0.00 0.41 0.00 0.00 41.25 41.26 3hh2 s ASN 2 CO 0.00 0.16 -0.13 0.00 -1.51 0.00 0.00 177.10 175.62 3hh2 s TRP 4 N 0.15 1.69 -0.09 0.00 0.52 0.47 0.21 118.94 121.89 3hh2 s TRP 4 Ca -0.07 -0.39 0.29 0.00 0.02 0.00 0.00 56.10 55.95 3hh2 s TRP 4 Cb -0.15 -0.98 0.95 0.00 -1.15 0.00 0.00 33.47 32.15 3hh2 s TRP 4 CO 0.05 0.12 1.83 -0.07 0.02 0.00 0.00 176.95 178.90 3hh2 h LEU 5 N 4.59 0.00 -7.12 2.99 3.38 -0.64 -0.31 115.31 118.21 3hh2 h LEU 5 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3hh2 h LEU 5 Cb 1.17 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 3hh2 h LEU 5 CO 0.42 0.03 0.11 0.00 0.09 0.00 0.00 178.44 179.09 3hh2 s ARG 6 N -3.49 1.09 -0.27 1.13 1.70 -1.00 -3.74 118.95 114.37 3hh2 s ARG 6 Ca 0.03 -0.18 -0.15 0.00 -0.47 0.00 0.00 55.73 54.96 3hh2 s ARG 6 Cb 0.08 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 3hh2 s ARG 6 CO 0.60 -0.40 0.36 -1.14 -1.08 0.00 0.00 175.30 173.64 3hh2 s GLN 7 N -2.46 4.02 1.04 3.89 0.74 -1.25 -1.11 119.66 124.54 3hh2 s GLN 7 Ca -0.05 0.03 -0.12 0.00 0.05 0.00 0.00 55.36 55.26 3hh2 s GLN 7 Cb -0.01 -3.65 0.21 0.00 1.10 0.00 0.00 33.01 30.67 3hh2 s GLN 7 CO -0.02 -0.26 1.07 0.00 -0.55 0.00 0.00 175.29 175.53 3hh2 s ALA 8 N 2.02 0.52 0.51 1.58 0.00 0.11 -4.84 121.76 121.66 3hh2 s ALA 8 Ca 0.15 -0.19 0.24 0.00 0.00 0.00 0.00 51.96 52.15 3hh2 s ALA 8 Cb -0.16 -3.19 1.49 0.00 0.00 0.00 0.00 23.12 21.26 3hh2 s ALA 8 CO 0.10 -3.15 2.14 0.87 0.00 0.00 0.00 175.76 175.73 3hh2 h LYS 9 N -2.12 0.00 0.00 0.00 1.79 -1.98 0.29 116.57 114.55 3hh2 h LYS 9 Ca -0.56 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 3hh2 h LYS 9 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 3hh2 h LYS 9 CO 0.54 0.06 0.00 0.27 -1.08 0.00 0.00 179.45 179.24 3hh2 n ASN 10 N -4.00 0.00 0.00 0.86 0.23 -1.26 -4.88 115.26 106.21 3hh2 n ASN 10 Ca -0.03 -0.62 0.00 0.00 -0.53 0.00 0.00 54.58 53.40 3hh2 n ASN 10 Cb 0.15 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3hh2 n ASN 10 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hh2 n GLY 11 N 0.70 0.89 3.96 4.83 0.00 0.10 -5.06 105.19 110.61 3hh2 n GLY 11 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3hh2 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hh2 s ARG 12 N -0.37 3.41 0.10 1.61 0.52 -1.26 -4.49 118.95 118.48 3hh2 s ARG 12 Ca 0.00 -0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 3hh2 s ARG 12 Cb 0.00 -2.81 -0.06 0.00 0.52 0.00 0.00 34.95 32.60 3hh2 s ARG 12 CO 0.00 0.29 0.91 0.00 0.02 0.00 0.00 175.30 176.52 3hh2 s GLN 14 N -0.09 0.56 -0.05 0.00 -0.21 -0.26 -1.42 119.66 118.19 3hh2 s GLN 14 Ca 0.44 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.90 3hh2 s GLN 14 Cb -0.23 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.66 3hh2 s GLN 14 CO 0.28 -0.01 0.04 0.28 -2.12 0.00 0.00 175.29 173.77 3hh2 n VAL 15 N 0.99 -3.40 -2.10 1.09 0.31 -1.26 -2.37 118.33 111.60 3hh2 n VAL 15 Ca -0.20 0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.92 3hh2 n VAL 15 Cb 0.57 -4.45 -0.03 0.00 -0.91 0.00 0.00 33.84 29.02 3hh2 n VAL 15 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3hh2 s LEU 16 N -0.72 4.37 -0.17 7.52 2.96 -1.26 -0.45 118.68 130.93 3hh2 s LEU 16 Ca 0.02 2.42 -0.07 0.00 -0.22 0.00 0.00 54.13 56.28 3hh2 s LEU 16 Cb -0.00 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 3hh2 s LEU 16 CO 0.11 -0.70 -0.20 0.00 -1.32 0.00 0.00 176.35 174.24 3hh2 n TYR 17 N 3.88 0.00 -3.74 5.38 9.36 0.13 -4.87 117.16 127.30 3hh2 n TYR 17 Ca 0.12 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.21 3hh2 n TYR 17 Cb 0.41 -0.61 -0.08 0.00 -0.63 0.00 0.00 39.34 38.43 3hh2 n TYR 17 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3hh2 s LYS 18 N -2.31 0.77 0.37 2.98 1.02 -1.00 -4.99 119.74 116.57 3hh2 s LYS 18 Ca -0.23 -0.33 0.08 0.00 0.02 0.00 0.00 55.97 55.50 3hh2 s LYS 18 Cb 0.08 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.70 3hh2 s LYS 18 CO 0.31 -0.24 0.22 0.95 -0.92 0.00 0.00 175.35 175.68 3hh2 s THR 19 N -2.00 2.91 -1.28 2.17 -4.23 -1.26 -0.39 115.64 111.56 3hh2 s THR 19 Ca -0.09 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3hh2 s THR 19 Cb -0.03 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.80 3hh2 s THR 19 CO 0.00 -0.11 1.10 -0.62 -0.54 0.00 0.00 174.62 174.46 3hh2 n GLU 20 N -1.28 -7.40 -4.56 3.99 -0.58 -0.59 -4.94 120.64 105.27 3hh2 n GLU 20 Ca -0.01 0.82 -0.27 0.00 -0.42 0.00 0.00 57.16 57.28 3hh2 n GLU 20 Cb 0.62 -5.82 -0.14 0.00 -0.57 0.00 0.00 31.44 25.53 3hh2 n GLU 20 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hh2 s LEU 21 N -6.89 2.23 0.78 -4.62 1.43 -0.27 -4.74 118.68 106.61 3hh2 s LEU 21 Ca 0.38 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3hh2 s LEU 21 Cb -0.17 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 45.04 3hh2 s LEU 21 CO 0.72 0.16 1.16 -0.94 0.23 0.00 0.00 176.35 177.68 3hh2 s SER 22 N -1.56 4.74 0.15 2.29 1.04 -1.26 0.90 113.70 120.00 3hh2 s SER 22 Ca 0.10 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.25 3hh2 s SER 22 Cb -0.10 -1.44 0.02 0.00 0.10 0.00 0.00 66.02 64.61 3hh2 s SER 22 CO 0.03 -1.77 1.72 0.50 0.98 0.00 0.00 173.24 174.70 3hh2 h LYS 23 N -0.96 0.67 -0.92 4.02 3.64 -1.96 -1.83 116.57 119.22 3hh2 h LYS 23 Ca -0.46 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 58.91 3hh2 h LYS 23 Cb 1.31 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 3hh2 h LYS 23 CO 0.65 0.58 0.59 0.93 -2.27 0.00 0.00 179.45 179.94 3hh2 h GLU 24 N 0.59 0.93 -0.10 1.90 3.07 -1.95 0.49 114.58 119.51 3hh2 h GLU 24 Ca 0.16 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.86 3hh2 h GLU 24 Cb 0.14 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3hh2 h GLU 24 CO -0.02 0.61 -0.34 0.93 -1.40 0.00 0.00 179.01 178.80 3hh2 h GLU 25 N 0.96 0.41 -0.75 2.33 5.08 -1.86 -2.99 114.58 117.76 3hh2 h GLU 25 Ca 0.42 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3hh2 h GLU 25 Cb 0.36 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3hh2 h GLU 25 CO -0.18 0.93 0.25 0.00 -1.00 0.00 0.00 179.01 179.01 3hh2 n SER 28 N 0.60 1.46 -4.70 0.00 3.41 -1.13 -4.83 113.62 108.44 3hh2 n SER 28 Ca 0.17 -2.10 -0.33 0.00 -0.26 0.00 0.00 58.87 56.35 3hh2 n SER 28 Cb 0.66 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 3hh2 n SER 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hh2 s THR 29 N -1.62 0.97 -2.19 6.66 -4.23 -1.26 -5.04 115.64 108.93 3hh2 s THR 29 Ca 0.12 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.82 3hh2 s THR 29 Cb 0.08 -2.06 0.43 0.00 1.34 0.00 0.00 72.50 72.29 3hh2 s THR 29 CO 0.06 0.00 1.43 0.61 -0.54 0.00 0.00 174.62 176.18 3hh2 n GLY 30 N -1.27 0.96 3.67 3.99 0.00 -1.26 -4.94 105.19 106.35 3hh2 n GLY 30 Ca -0.20 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3hh2 n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hh2 s ARG 31 N -1.55 4.17 0.17 1.61 3.52 -1.26 -1.02 118.95 124.59 3hh2 s ARG 31 Ca 0.33 2.39 -0.16 0.00 -0.13 0.00 0.00 55.73 58.16 3hh2 s ARG 31 Cb 0.18 -3.85 0.12 0.00 -1.56 0.00 0.00 34.95 29.84 3hh2 s ARG 31 CO 0.25 -0.83 1.66 1.25 -0.81 0.00 0.00 175.30 176.81 3hh2 h LEU 32 N 9.57 -0.43 -0.18 -0.88 5.85 -1.92 -3.25 115.31 124.07 3hh2 h LEU 32 Ca -0.44 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3hh2 h LEU 32 Cb 1.21 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.52 3hh2 h LEU 32 CO 0.94 -0.15 -0.69 -1.20 -0.34 0.00 0.00 178.44 177.00 3hh2 n SER 33 N -5.33 0.96 -4.74 1.25 7.64 -1.26 -4.42 113.62 107.71 3hh2 n SER 33 Ca 0.03 -0.80 -0.42 0.00 1.01 0.00 0.00 58.87 58.70 3hh2 n SER 33 Cb 0.24 0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 64.03 3hh2 n SER 33 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3hh2 n THR 34 N -1.22 1.81 -4.18 0.44 -1.04 -1.23 -3.78 114.28 105.07 3hh2 n THR 34 Ca 0.06 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.05 61.51 3hh2 n THR 34 Cb 0.35 -1.84 -0.10 0.00 -1.82 0.00 0.00 70.33 66.92 3hh2 n THR 34 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3hh2 s SER 35 N -0.07 0.50 0.01 8.00 0.01 -0.13 -1.16 113.70 120.86 3hh2 s SER 35 Ca 0.56 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.60 3hh2 s SER 35 Cb -0.51 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 3hh2 s SER 35 CO 0.61 -0.71 -0.05 0.86 0.41 0.00 0.00 173.24 174.36 3hh2 s TRP 36 N -3.98 0.40 -0.02 2.43 -0.00 -0.05 -0.40 118.94 117.32 3hh2 s TRP 36 Ca 0.27 -0.22 0.07 0.00 -0.00 0.00 0.00 56.10 56.21 3hh2 s TRP 36 Cb 0.07 -0.25 -0.02 0.00 -0.00 0.00 0.00 33.47 33.27 3hh2 s TRP 36 CO 0.04 -0.04 -0.22 0.95 -0.00 0.00 0.00 176.95 177.68 3hh2 s THR 37 N -0.55 1.75 0.09 5.86 -4.23 -0.36 -0.18 115.64 118.02 3hh2 s THR 37 Ca -0.03 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.37 3hh2 s THR 37 Cb -0.04 -1.45 -0.09 0.00 1.34 0.00 0.00 72.50 72.25 3hh2 s THR 37 CO -0.00 0.49 1.43 -0.08 -0.54 0.00 0.00 174.62 175.93 3hh2 h GLU 38 N 5.65 0.61 -6.65 3.99 4.81 -1.87 0.91 114.58 122.03 3hh2 h GLU 38 Ca -0.39 -0.29 -0.53 0.00 -0.13 0.00 0.00 59.36 58.02 3hh2 h GLU 38 Cb 1.14 -0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.55 3hh2 h GLU 38 CO 0.48 0.88 0.72 -1.21 -0.73 0.00 0.00 179.01 179.14 3hh2 s GLU 39 N -4.48 4.32 -0.34 1.92 2.02 -1.26 -3.61 118.70 117.28 3hh2 s GLU 39 Ca -0.13 2.15 -0.13 0.00 0.02 0.00 0.00 54.97 56.88 3hh2 s GLU 39 Cb 0.08 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 3hh2 s GLU 39 CO 0.80 -0.38 0.24 -0.51 0.02 0.00 0.00 175.26 175.43 3hh2 s ASP 40 N 0.63 6.05 0.27 -0.19 1.01 -1.26 -4.41 116.67 118.76 3hh2 s ASP 40 Ca 0.61 -0.39 0.10 0.00 0.71 0.00 0.00 52.55 53.57 3hh2 s ASP 40 Cb -0.39 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 3hh2 s ASP 40 CO 0.37 -0.22 -0.15 0.68 0.21 0.00 0.00 175.17 176.06 3hh2 s VAL 41 N 1.72 2.13 0.95 -1.27 -7.23 -1.26 -5.12 120.40 110.32 3hh2 s VAL 41 Ca 0.06 -2.29 -0.12 0.00 -1.81 0.00 0.00 61.98 57.83 3hh2 s VAL 41 Cb -0.17 -2.30 0.16 0.00 0.56 0.00 0.00 36.38 34.63 3hh2 s VAL 41 CO 0.10 -0.41 1.09 0.54 -0.31 0.00 0.00 175.10 176.11 3hh2 s ASN 42 N -3.46 2.91 0.12 4.85 2.20 -1.26 -4.79 114.94 115.51 3hh2 s ASN 42 Ca 0.28 1.55 -0.26 0.00 -0.94 0.00 0.00 52.86 53.49 3hh2 s ASN 42 Cb -0.02 -2.21 -0.06 0.00 -2.00 0.00 0.00 41.25 36.96 3hh2 s ASN 42 CO 0.13 -3.00 1.63 0.44 -2.94 0.00 0.00 177.10 173.35 3hh2 h ASP 43 N -1.80 -0.83 -1.00 3.54 3.32 -2.00 -2.41 116.42 115.24 3hh2 h ASP 43 Ca -0.51 0.11 0.08 0.00 0.02 0.00 0.00 57.03 56.72 3hh2 h ASP 43 Cb 1.29 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 41.10 3hh2 h ASP 43 CO 0.53 -0.35 0.65 0.78 -1.72 0.00 0.00 179.24 179.12 3hh2 h ASN 44 N -0.44 1.01 -0.71 6.45 2.35 -1.99 0.82 115.58 123.07 3hh2 h ASN 44 Ca 0.06 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3hh2 h ASN 44 Cb 0.51 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3hh2 h ASN 44 CO -0.23 0.63 0.38 0.74 -1.65 0.00 0.00 177.43 177.30 3hh2 h THR 45 N 1.14 1.22 -0.15 2.81 2.02 -1.87 -0.60 112.91 117.47 3hh2 h THR 45 Ca 0.45 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3hh2 h THR 45 Cb 0.24 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3hh2 h THR 45 CO -0.19 0.24 0.03 0.25 0.37 0.00 0.00 175.52 176.22 3hh2 h LEU 46 N 0.97 0.00 -0.61 2.58 5.85 -0.40 -2.48 115.31 121.23 3hh2 h LEU 46 Ca 0.25 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3hh2 h LEU 46 Cb 0.04 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3hh2 h LEU 46 CO -0.04 0.02 0.35 -0.26 -0.34 0.00 0.00 178.44 178.17 3hh2 h PHE 47 N 0.09 0.81 -0.58 1.25 0.04 -0.98 -0.62 116.94 116.95 3hh2 h PHE 47 Ca 0.07 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.94 3hh2 h PHE 47 Cb 0.06 -0.26 -0.11 0.00 2.20 0.00 0.00 35.95 37.84 3hh2 h PHE 47 CO -0.13 0.57 -0.14 -0.22 -0.60 0.00 0.00 178.31 177.79 3hh2 h LYS 48 N 0.82 0.00 0.03 1.51 3.64 -0.89 -0.31 116.57 121.37 3hh2 h LYS 48 Ca 0.22 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 3hh2 h LYS 48 Cb 0.01 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3hh2 h LYS 48 CO -0.04 0.00 -0.60 -1.49 -2.27 0.00 0.00 179.45 175.06 3hh2 h TRP 49 N 0.00 0.54 -0.92 1.91 4.06 -1.00 -2.06 115.95 118.49 3hh2 h TRP 49 Ca 0.28 -0.32 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 3hh2 h TRP 49 Cb 0.43 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.49 3hh2 h TRP 49 CO -0.48 1.16 0.56 0.52 -3.56 0.00 0.00 178.44 176.64 3hh2 h MET 50 N -0.24 1.24 0.06 0.49 2.86 -0.96 -2.03 114.93 116.35 3hh2 h MET 50 Ca -0.08 -0.11 -0.37 0.00 -2.06 0.00 0.00 59.70 57.08 3hh2 h MET 50 Cb 1.35 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 3hh2 h MET 50 CO 0.12 0.86 -2.20 -0.89 1.06 0.00 0.00 176.91 175.86 3hh2 n ILE 51 N -4.36 1.63 0.46 -1.22 5.41 -0.14 -3.79 119.36 117.35 3hh2 n ILE 51 Ca 0.10 -0.64 0.05 0.00 1.00 0.00 0.00 62.75 63.26 3hh2 n ILE 51 Cb 0.06 -1.49 -0.00 0.00 -0.71 0.00 0.00 39.64 37.50 3hh2 n ILE 51 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3hh2 n PHE 52 N -3.32 0.00 -1.36 1.39 3.72 -0.78 -4.59 117.46 112.52 3hh2 n PHE 52 Ca -0.37 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.07 3hh2 n PHE 52 Cb 1.03 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.63 3hh2 n PHE 52 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3hh2 n ASN 53 N -0.23 1.09 0.00 4.37 3.02 -0.82 -4.99 115.26 117.70 3hh2 n ASN 53 Ca 0.04 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 3hh2 n ASN 53 Cb 0.22 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3hh2 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hh2 n GLY 54 N -0.60 0.49 0.00 7.41 0.00 -1.15 -4.89 105.19 106.45 3hh2 n GLY 54 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3hh2 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hh2 n GLY 55 N -2.94 1.95 3.73 -0.02 0.00 -0.85 -4.63 105.19 102.42 3hh2 n GLY 55 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 3hh2 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hh2 s ALA 56 N -1.60 3.36 0.83 4.61 0.00 -0.51 -4.26 121.76 124.20 3hh2 s ALA 56 Ca 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 3hh2 s ALA 56 Cb 0.00 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.84 3hh2 s ALA 56 CO 0.00 -0.27 1.15 -1.25 0.00 0.00 0.00 175.76 175.39 3hh2 s PRO 57 N 0.16 1.80 -1.52 0.00 0.04 -1.26 -1.21 135.00 133.01 3hh2 s PRO 57 Ca 0.52 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.68 3hh2 s PRO 57 Cb -0.29 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.42 3hh2 s PRO 57 CO 0.33 -1.74 1.01 0.09 0.04 0.00 0.00 177.00 176.73 3hh2 n ASN 58 N -3.44 -4.98 -4.70 6.66 3.02 -1.26 -4.88 115.26 105.67 3hh2 n ASN 58 Ca 0.07 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.44 3hh2 n ASN 58 Cb 0.60 -3.99 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 3hh2 n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hh2 s ILE 60 N 1.96 3.11 0.30 0.00 1.01 0.75 -4.94 121.20 123.39 3hh2 s ILE 60 Ca 0.66 -1.29 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 3hh2 s ILE 60 Cb -0.35 -2.75 -0.10 0.00 0.01 0.00 0.00 42.46 39.26 3hh2 s ILE 60 CO 0.29 -0.08 1.36 -2.16 0.00 0.00 0.00 174.94 174.36 3hh2 s PRO 61 N 1.29 4.31 0.34 2.79 0.04 -1.26 -0.87 135.00 141.63 3hh2 s PRO 61 Ca -0.04 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.29 3hh2 s PRO 61 Cb -0.19 -3.08 0.61 0.00 0.04 0.00 0.00 34.50 31.88 3hh2 s PRO 61 CO -0.01 -0.29 1.90 0.00 0.04 0.00 0.00 177.00 178.65 3hh2 s LYS 63 N -5.13 2.15 0.12 0.00 -0.14 -1.26 -4.94 119.74 110.55 3hh2 s LYS 63 Ca -0.08 -1.47 0.16 0.00 -1.36 0.00 0.00 55.97 53.22 3hh2 s LYS 63 Cb 0.16 -3.15 -0.08 0.00 -1.68 0.00 0.00 37.83 33.08 3hh2 s LYS 63 CO 0.76 -0.72 1.00 0.93 -0.76 0.00 0.00 175.35 176.56 3hh2 h GLU 64 N 7.87 0.00 0.00 1.68 4.39 -1.91 -3.43 114.58 123.18 3hh2 h GLU 64 Ca -0.16 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 3hh2 h GLU 64 Cb 1.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 3hh2 h GLU 64 CO 0.53 0.35 -0.08 0.25 -1.16 0.00 0.00 179.01 178.90 3hh2 n THR 65 N -2.98 0.00 0.85 1.13 -2.24 -1.26 -4.44 114.28 105.34 3hh2 n THR 65 Ca -0.06 -0.42 0.11 0.00 -2.27 0.00 0.00 64.05 61.41 3hh2 n THR 65 Cb 0.81 0.20 0.51 0.00 -2.10 0.00 0.00 70.33 69.75 3hh2 n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hh2 n GLU 67 N -1.45 2.65 -0.69 0.00 -0.58 -1.26 -2.67 120.64 116.64 3hh2 n GLU 67 Ca 0.07 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 3hh2 n GLU 67 Cb 0.25 -2.88 0.00 0.00 -0.57 0.00 0.00 31.44 28.24 3hh2 n GLU 67 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hh2 n ASN 68 N 6.76 0.00 -4.71 1.62 4.13 -1.26 -4.89 115.26 116.90 3hh2 n ASN 68 Ca 0.20 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.04 3hh2 n ASN 68 Cb 0.37 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.58 3hh2 n ASN 68 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hh2 s VAL 69 N -3.67 3.85 -0.51 2.41 1.01 -1.09 -4.42 120.40 117.99 3hh2 s VAL 69 Ca 0.00 1.30 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 3hh2 s VAL 69 Cb 0.00 -3.83 0.13 0.00 0.00 0.00 0.00 36.38 32.67 3hh2 s VAL 69 CO 0.00 0.07 0.38 -0.62 0.00 0.00 0.00 175.10 174.93 3hh2 s ASP 70 N 1.24 5.72 0.27 3.32 -1.08 -0.19 -4.94 116.67 121.01 3hh2 s ASP 70 Ca 0.60 -2.05 0.26 0.00 -0.52 0.00 0.00 52.55 50.84 3hh2 s ASP 70 Cb -0.31 -2.01 0.83 0.00 -1.46 0.00 0.00 42.92 39.98 3hh2 s ASP 70 CO 0.28 -0.66 1.75 0.00 0.52 0.00 0.00 175.17 177.07 3hh2 n GLY 72 N 0.89 -2.53 3.74 0.00 0.00 -1.26 -4.75 105.19 101.27 3hh2 n GLY 72 Ca 0.04 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3hh2 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hh2 s PRO 73 N -0.49 4.28 -0.78 1.61 0.04 -1.26 -3.21 135.00 135.19 3hh2 s PRO 73 Ca 0.00 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.31 3hh2 s PRO 73 Cb 0.00 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3hh2 s PRO 73 CO 0.00 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.05 3hh2 n GLY 74 N 2.28 0.94 3.11 0.56 0.00 -1.26 -5.01 105.19 105.81 3hh2 n GLY 74 Ca 0.07 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 3hh2 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hh2 s LYS 75 N -2.48 0.66 0.09 1.61 -0.14 -1.20 -1.11 119.74 117.17 3hh2 s LYS 75 Ca 0.00 -0.85 0.03 0.00 -1.36 0.00 0.00 55.97 53.79 3hh2 s LYS 75 Cb 0.00 -0.52 -0.04 0.00 -1.68 0.00 0.00 37.83 35.59 3hh2 s LYS 75 CO 0.00 0.11 -0.08 -1.59 -0.76 0.00 0.00 175.35 173.02 3hh2 s LYS 76 N -1.68 0.82 -0.13 1.68 -2.85 -0.05 -4.68 119.74 112.84 3hh2 s LYS 76 Ca -0.06 -1.22 -0.19 0.00 -1.00 0.00 0.00 55.97 53.50 3hh2 s LYS 76 Cb -0.10 -0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.28 3hh2 s LYS 76 CO 0.01 0.03 0.53 0.00 0.10 0.00 0.00 175.35 176.02 3hh2 s ARG 78 N 0.98 0.11 0.09 0.00 3.52 -0.10 -4.93 118.95 118.62 3hh2 s ARG 78 Ca 0.28 -0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 3hh2 s ARG 78 Cb -0.16 0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.22 3hh2 s ARG 78 CO 0.11 -0.02 1.12 -1.64 -0.81 0.00 0.00 175.30 174.06 3hh2 s MET 79 N -0.35 4.52 0.25 5.12 -1.94 -1.26 -0.84 119.30 124.79 3hh2 s MET 79 Ca -0.04 1.67 -0.02 0.00 -1.71 0.00 0.00 55.69 55.59 3hh2 s MET 79 Cb -0.03 -3.35 0.05 0.00 2.01 0.00 0.00 34.83 33.52 3hh2 s MET 79 CO -0.00 -0.10 0.34 0.27 -0.01 0.00 0.00 175.02 175.53 3hh2 n ASN 80 N 3.41 0.25 -0.32 3.03 6.94 0.49 -4.85 115.26 124.20 3hh2 n ASN 80 Ca 0.06 -1.26 0.01 0.00 -0.02 0.00 0.00 54.58 53.37 3hh2 n ASN 80 Cb 0.47 -0.24 0.19 0.00 -2.36 0.00 0.00 39.78 37.84 3hh2 n ASN 80 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 3hh2 h LYS 81 N 0.00 1.14 -0.80 -3.83 5.09 -1.96 -0.35 116.57 115.86 3hh2 h LYS 81 Ca -0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 60.65 60.54 3hh2 h LYS 81 Cb 0.36 -0.26 -0.01 0.00 0.10 0.00 0.00 32.23 32.43 3hh2 h LYS 81 CO 0.10 0.75 0.02 0.36 -2.09 0.00 0.00 179.45 178.59 3hh2 n LYS 82 N -4.44 2.93 -3.48 0.07 -0.00 -1.26 -4.91 118.16 107.07 3hh2 n LYS 82 Ca 0.12 -1.61 -0.19 0.00 -0.00 0.00 0.00 58.31 56.63 3hh2 n LYS 82 Cb 0.09 -1.88 0.09 0.00 -0.00 0.00 0.00 35.03 33.33 3hh2 n LYS 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3hh2 n ASN 83 N 0.28 -3.37 -4.23 -5.58 5.15 -0.14 -5.02 115.26 102.35 3hh2 n ASN 83 Ca 0.15 -0.59 -0.23 0.00 -0.60 0.00 0.00 54.58 53.30 3hh2 n ASN 83 Cb 0.76 -5.09 -0.13 0.00 -0.53 0.00 0.00 39.78 34.78 3hh2 n ASN 83 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3hh2 s LYS 84 N -5.65 1.18 0.46 1.20 -0.14 -1.26 -4.85 119.74 110.69 3hh2 s LYS 84 Ca 0.18 -0.95 -0.23 0.00 -1.36 0.00 0.00 55.97 53.61 3hh2 s LYS 84 Cb -0.08 -1.30 -0.07 0.00 -1.68 0.00 0.00 37.83 34.69 3hh2 s LYS 84 CO 0.73 0.32 1.21 -1.25 -0.76 0.00 0.00 175.35 175.60 3hh2 s PRO 85 N -1.37 3.74 -0.00 -1.68 0.04 -1.26 -0.38 135.00 134.09 3hh2 s PRO 85 Ca 0.05 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3hh2 s PRO 85 Cb -0.09 -2.47 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 3hh2 s PRO 85 CO 0.02 -0.60 0.08 1.03 0.04 0.00 0.00 177.00 177.58 3hh2 s ARG 86 N -2.61 0.35 -0.26 4.56 1.81 -0.02 -4.85 118.95 117.92 3hh2 s ARG 86 Ca 0.63 -0.34 -0.16 0.00 -1.72 0.00 0.00 55.73 54.13 3hh2 s ARG 86 Cb -0.32 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 3hh2 s ARG 86 CO 0.39 -0.07 0.44 0.00 -0.68 0.00 0.00 175.30 175.37 3hh2 s VAL 88 N 2.17 2.32 -0.03 0.00 -7.23 0.06 -4.93 120.40 112.76 3hh2 s VAL 88 Ca 0.18 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3hh2 s VAL 88 Cb -0.16 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 3hh2 s VAL 88 CO 0.09 -0.05 1.46 0.00 -0.31 0.00 0.00 175.10 176.29 3hh2 n ALA 90 N 5.94 2.92 -1.77 0.00 0.00 -0.27 -4.86 120.51 122.47 3hh2 n ALA 90 Ca 0.14 -3.74 -0.40 0.00 0.00 0.00 0.00 53.44 49.44 3hh2 n ALA 90 Cb 0.43 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 3hh2 n ALA 90 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hh2 s PRO 91 N -1.34 4.19 -0.45 0.00 0.04 -1.24 -4.35 135.00 131.85 3hh2 s PRO 91 Ca 0.35 2.18 -0.28 0.00 0.04 0.00 0.00 61.00 63.29 3hh2 s PRO 91 Cb 0.14 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3hh2 s PRO 91 CO -0.10 -0.32 1.43 0.34 0.04 0.00 0.00 177.00 178.39 3hh2 s ASP 92 N -0.61 6.26 -0.09 6.66 2.15 -1.26 -4.84 116.67 124.93 3hh2 s ASP 92 Ca 0.52 0.70 0.18 0.00 0.43 0.00 0.00 52.55 54.38 3hh2 s ASP 92 Cb -0.39 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.34 3hh2 s ASP 92 CO 0.51 -1.52 1.56 0.00 -0.17 0.00 0.00 175.17 175.54 3hh2 h SER 94 N 3.64 0.64 -1.62 0.00 4.64 -2.03 -3.18 113.55 115.63 3hh2 h SER 94 Ca 0.00 -0.20 -0.72 0.00 -0.47 0.00 0.00 61.79 60.39 3hh2 h SER 94 Cb 1.32 -0.17 -0.29 0.00 -0.31 0.00 0.00 62.40 62.95 3hh2 h SER 94 CO 0.18 0.83 0.85 0.59 -0.87 0.00 0.00 176.83 178.40 3hh2 n ASN 95 N -4.14 7.35 -4.23 4.97 4.13 -1.26 -4.93 115.26 117.14 3hh2 n ASN 95 Ca 0.00 -3.81 -0.35 0.00 1.68 0.00 0.00 54.58 52.10 3hh2 n ASN 95 Cb 0.39 -0.98 -0.14 0.00 -1.54 0.00 0.00 39.78 37.50 3hh2 n ASN 95 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hh2 s ILE 96 N -5.01 3.16 -0.06 2.41 1.01 -1.21 -4.98 121.20 116.53 3hh2 s ILE 96 Ca 0.56 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3hh2 s ILE 96 Cb 0.46 -2.64 -0.25 0.00 0.01 0.00 0.00 42.46 40.04 3hh2 s ILE 96 CO -0.27 0.13 0.61 0.71 0.00 0.00 0.00 174.94 176.12 3hh2 h THR 97 N 6.11 0.85 -3.06 2.92 1.35 -1.92 -3.45 112.91 115.71 3hh2 h THR 97 Ca -0.31 -2.61 -0.55 0.00 -0.55 0.00 0.00 66.41 62.40 3hh2 h THR 97 Cb 1.11 2.53 -0.02 0.00 -1.73 0.00 0.00 68.15 70.04 3hh2 h THR 97 CO 0.58 0.72 0.71 0.86 -0.25 0.00 0.00 175.52 178.14 3hh2 s TRP 98 N -2.59 3.15 -0.55 4.73 -0.11 -1.26 -4.92 118.94 117.39 3hh2 s TRP 98 Ca -0.12 1.15 0.18 0.00 1.22 0.00 0.00 56.10 58.53 3hh2 s TRP 98 Cb 0.07 -3.47 -0.22 0.00 -1.50 0.00 0.00 33.47 28.35 3hh2 s TRP 98 CO 0.81 -1.52 0.63 1.63 -4.62 0.00 0.00 176.95 173.88 3hh2 n LYS 99 N 5.13 0.96 -0.89 5.86 4.76 -1.26 -4.71 118.16 128.02 3hh2 n LYS 99 Ca 0.11 -0.06 -0.07 0.00 -2.87 0.00 0.00 58.31 55.42 3hh2 n LYS 99 Cb 0.46 -1.37 0.04 0.00 -1.84 0.00 0.00 35.03 32.32 3hh2 n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hh2 n GLY 100 N 1.43 -0.15 3.69 0.72 0.00 -1.26 -4.85 105.19 104.77 3hh2 n GLY 100 Ca 0.01 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 3hh2 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hh2 s PRO 101 N -3.45 1.02 0.07 1.61 0.05 -1.17 -4.18 135.00 128.94 3hh2 s PRO 101 Ca 0.20 0.96 0.01 0.00 0.05 0.00 0.00 61.00 62.22 3hh2 s PRO 101 Cb -0.01 -1.77 -0.03 0.00 0.05 0.00 0.00 34.50 32.74 3hh2 s PRO 101 CO 0.14 -2.44 -0.06 0.14 0.05 0.00 0.00 177.00 174.82 3hh2 s VAL 102 N -2.83 0.54 -0.29 -0.36 -7.23 -0.89 -0.91 120.40 108.43 3hh2 s VAL 102 Ca 0.64 -1.53 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 3hh2 s VAL 102 Cb -0.19 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 3hh2 s VAL 102 CO 0.58 -0.68 0.13 0.00 -0.31 0.00 0.00 175.10 174.81 3hh2 s GLY 104 N 1.61 1.66 0.53 0.00 0.00 0.01 -0.48 107.32 110.64 3hh2 s GLY 104 Ca 0.05 -0.03 0.25 0.00 0.00 0.00 0.00 44.72 44.98 3hh2 s GLY 104 CO 0.05 0.29 2.01 1.41 0.00 0.00 0.00 173.10 176.87 3hh2 h LEU 105 N -0.69 0.00 0.00 0.66 3.38 -1.09 -0.32 115.31 117.26 3hh2 h LEU 105 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hh2 h LEU 105 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3hh2 h LEU 105 CO 0.59 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.22 3hh2 n ASP 106 N -4.36 0.00 0.00 -0.43 5.68 -1.26 -4.82 116.55 111.35 3hh2 n ASP 106 Ca 0.08 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3hh2 n ASP 106 Cb 0.55 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3hh2 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hh2 n GLY 107 N 0.09 0.72 3.81 6.12 0.00 -0.13 -5.05 105.19 110.75 3hh2 n GLY 107 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3hh2 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hh2 s LYS 108 N -0.28 3.13 -0.01 1.61 1.02 -1.25 -4.88 119.74 119.08 3hh2 s LYS 108 Ca 0.00 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 3hh2 s LYS 108 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3hh2 s LYS 108 CO 0.00 0.64 0.84 0.99 -0.92 0.00 0.00 175.35 176.90 3hh2 s THR 109 N -1.25 4.88 0.07 2.17 2.01 -1.26 -0.81 115.64 121.44 3hh2 s THR 109 Ca 0.25 1.77 0.04 0.00 0.31 0.00 0.00 61.69 64.05 3hh2 s THR 109 Cb -0.12 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3hh2 s THR 109 CO 0.16 0.24 0.01 -0.31 -0.69 0.00 0.00 174.62 174.04 3hh2 s TYR 110 N 0.66 3.04 0.19 4.92 1.51 -0.09 -4.96 117.35 122.63 3hh2 s TYR 110 Ca 0.44 0.02 -0.12 0.00 -1.01 0.00 0.00 57.07 56.40 3hh2 s TYR 110 Cb -0.20 -1.58 0.20 0.00 -0.11 0.00 0.00 41.96 40.27 3hh2 s TYR 110 CO 0.24 0.48 1.74 -0.09 -1.11 0.00 0.00 175.55 176.81 3hh2 h ARG 111 N 3.62 0.34 -3.39 -0.62 2.43 -1.93 -2.36 114.38 112.48 3hh2 h ARG 111 Ca -0.48 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 3hh2 h ARG 111 Cb 1.17 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3hh2 h ARG 111 CO 0.60 0.23 0.11 0.54 -1.51 0.00 0.00 179.97 179.94 3hh2 s ASN 112 N -5.38 0.28 0.36 -3.80 2.20 -1.26 -3.06 114.94 104.29 3hh2 s ASN 112 Ca -0.13 -1.21 0.07 0.00 -0.94 0.00 0.00 52.86 50.65 3hh2 s ASN 112 Cb 0.15 0.77 0.70 0.00 -2.00 0.00 0.00 41.25 40.88 3hh2 s ASN 112 CO 0.73 -1.52 1.89 -0.08 -2.94 0.00 0.00 177.10 175.18 3hh2 h GLU 113 N 2.04 0.36 -0.86 3.55 4.81 -1.84 -1.87 114.58 120.77 3hh2 h GLU 113 Ca -0.30 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3hh2 h GLU 113 Cb 1.25 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 3hh2 h GLU 113 CO 0.39 0.46 0.44 0.00 -0.73 0.00 0.00 179.01 179.57 3hh2 h ALA 115 N 1.26 0.92 -0.55 0.00 0.00 -1.75 -1.64 119.26 117.49 3hh2 h ALA 115 Ca 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hh2 h ALA 115 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hh2 h ALA 115 CO -0.04 0.62 0.30 1.25 0.00 0.00 0.00 179.25 181.38 3hh2 h LEU 116 N 0.71 0.68 -1.46 0.00 6.46 -1.06 -1.42 115.31 119.22 3hh2 h LEU 116 Ca 0.11 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 3hh2 h LEU 116 Cb 0.67 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3hh2 h LEU 116 CO 0.05 0.58 -0.20 -0.07 -0.62 0.00 0.00 178.44 178.17 3hh2 h LEU 117 N 0.73 0.09 -0.16 2.25 3.38 -0.93 0.12 115.31 120.80 3hh2 h LEU 117 Ca 0.19 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3hh2 h LEU 117 Cb 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hh2 h LEU 117 CO -0.03 0.30 -0.10 0.11 0.09 0.00 0.00 178.44 178.81 3hh2 h LYS 118 N 0.09 0.35 -0.52 1.13 1.57 -0.97 -2.27 116.57 115.95 3hh2 h LYS 118 Ca 0.02 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3hh2 h LYS 118 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3hh2 h LYS 118 CO 0.03 0.68 0.12 0.00 -0.57 0.00 0.00 179.45 179.71 3hh2 h ALA 119 N 0.66 1.25 0.46 3.86 0.00 -0.73 0.27 119.26 125.03 3hh2 h ALA 119 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hh2 h ALA 119 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hh2 h ALA 119 CO 0.03 0.52 -0.46 -0.09 0.00 0.00 0.00 179.25 179.25 3hh2 h ARG 120 N 0.76 -0.90 -0.94 0.00 2.43 -0.70 0.44 114.38 115.47 3hh2 h ARG 120 Ca 0.17 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3hh2 h ARG 120 Cb 0.28 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 3hh2 h ARG 120 CO -0.00 -0.60 0.62 0.00 -1.51 0.00 0.00 179.97 178.48 3hh2 h LYS 122 N 1.22 0.20 0.00 0.00 3.64 -0.28 -3.45 116.57 117.89 3hh2 h LYS 122 Ca 0.37 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3hh2 h LYS 122 Cb -0.04 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3hh2 h LYS 122 CO -0.11 0.93 -0.56 0.39 -2.27 0.00 0.00 179.45 177.83 3hh2 n GLU 123 N -4.48 0.00 -3.78 1.90 1.02 0.01 -5.01 120.64 110.30 3hh2 n GLU 123 Ca -0.10 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.75 3hh2 n GLU 123 Cb 0.52 -0.48 -0.10 0.00 -0.02 0.00 0.00 31.44 31.35 3hh2 n GLU 123 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3hh2 n GLN 124 N -2.49 2.10 0.19 3.49 7.27 -0.43 -4.95 117.38 122.55 3hh2 n GLN 124 Ca 0.00 -4.52 0.18 0.00 0.07 0.00 0.00 57.00 52.72 3hh2 n GLN 124 Cb 0.28 -2.31 0.74 0.00 2.41 0.00 0.00 30.24 31.37 3hh2 n GLN 124 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 3hh2 h PRO 125 N 5.28 0.00 -0.36 3.69 0.11 -1.79 0.22 132.00 139.13 3hh2 h PRO 125 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hh2 h PRO 125 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3hh2 h PRO 125 CO 0.77 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.95 3hh2 n GLU 126 N -3.33 1.88 -2.33 1.05 -0.58 -1.26 -4.96 120.64 111.11 3hh2 n GLU 126 Ca 0.04 -1.36 -0.42 0.00 -0.42 0.00 0.00 57.16 55.00 3hh2 n GLU 126 Cb 0.57 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 30.10 3hh2 n GLU 126 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3hh2 s LEU 127 N -1.06 4.36 0.08 -4.62 2.96 0.76 -4.94 118.68 116.21 3hh2 s LEU 127 Ca 0.27 2.11 -0.10 0.00 -0.22 0.00 0.00 54.13 56.18 3hh2 s LEU 127 Cb 0.14 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.26 3hh2 s LEU 127 CO 0.19 -0.56 0.22 -1.61 -1.32 0.00 0.00 176.35 173.27 3hh2 s GLU 128 N 1.28 0.83 0.09 1.98 2.02 -1.26 -4.84 118.70 118.81 3hh2 s GLU 128 Ca 0.61 -0.83 -0.31 0.00 0.02 0.00 0.00 54.97 54.46 3hh2 s GLU 128 Cb -0.32 0.34 -0.09 0.00 0.10 0.00 0.00 34.13 34.17 3hh2 s GLU 128 CO 0.29 -0.27 1.60 0.08 0.02 0.00 0.00 175.26 176.98 3hh2 s VAL 129 N -3.48 2.99 -0.11 2.63 1.01 -1.26 -0.47 120.40 121.70 3hh2 s VAL 129 Ca 0.02 0.54 0.11 0.00 0.00 0.00 0.00 61.98 62.65 3hh2 s VAL 129 Cb 0.03 -3.35 -0.24 0.00 0.00 0.00 0.00 36.38 32.82 3hh2 s VAL 129 CO -0.09 0.01 0.40 0.00 0.00 0.00 0.00 175.10 175.42 3hh2 n GLN 130 N 5.05 0.66 -3.50 2.72 10.64 0.36 -4.80 117.38 128.52 3hh2 n GLN 130 Ca 0.15 0.19 -0.16 0.00 -1.83 0.00 0.00 57.00 55.36 3hh2 n GLN 130 Cb 0.40 -1.69 -0.05 0.00 -0.86 0.00 0.00 30.24 28.05 3hh2 n GLN 130 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 3hh2 s TYR 131 N -2.56 -0.60 0.77 2.61 -0.85 -1.16 -4.58 117.35 110.98 3hh2 s TYR 131 Ca -0.10 0.87 -0.11 0.00 -0.52 0.00 0.00 57.07 57.21 3hh2 s TYR 131 Cb 0.07 0.45 0.05 0.00 0.38 0.00 0.00 41.96 42.92 3hh2 s TYR 131 CO 0.81 -0.65 1.08 -0.65 -1.52 0.00 0.00 175.55 174.61 3hh2 s GLN 132 N -1.90 2.30 0.00 -3.49 -0.21 -1.26 -0.80 119.66 114.30 3hh2 s GLN 132 Ca -0.07 0.93 0.00 0.00 0.02 0.00 0.00 55.36 56.24 3hh2 s GLN 132 Cb -0.00 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.09 3hh2 s GLN 132 CO 0.03 -1.54 0.00 0.41 -2.12 0.00 0.00 175.29 172.07 3hh2 n GLY 133 N -1.66 -1.21 3.75 3.09 0.00 -0.08 -4.69 105.19 104.39 3hh2 n GLY 133 Ca 0.08 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 3hh2 n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hh2 s ARG 134 N -1.26 2.07 0.60 1.61 0.52 -1.26 -2.06 118.95 119.17 3hh2 s ARG 134 Ca 0.00 1.22 -0.18 0.00 -0.52 0.00 0.00 55.73 56.25 3hh2 s ARG 134 Cb 0.00 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 3hh2 s ARG 134 CO 0.00 -1.79 1.15 0.00 0.02 0.00 0.00 175.30 174.68 3hh2 s LYS 136 N -3.58 1.26 -0.12 0.00 -0.14 -1.26 -5.01 119.74 110.88 3hh2 s LYS 136 Ca 0.72 -1.48 -0.07 0.00 -1.36 0.00 0.00 55.97 53.79 3hh2 s LYS 136 Cb -0.25 -1.14 -0.04 0.00 -1.68 0.00 0.00 37.83 34.72 3hh2 s LYS 136 CO 0.34 0.21 0.13 0.15 -0.76 0.00 0.00 175.35 175.42 3hh2 s LYS 137 N -3.23 3.48 0.47 1.68 -0.14 -1.26 -1.65 119.74 119.09 3hh2 s LYS 137 Ca 0.18 -0.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 3hh2 s LYS 137 Cb -0.03 -3.19 0.00 0.00 -1.68 0.00 0.00 37.83 32.93 3hh2 s LYS 137 CO 0.06 0.74 0.00 0.25 -0.76 0.00 0.00 175.35 175.64 3hh2 n THR 138 N 2.12 -0.33 0.45 2.17 -2.24 -0.01 -4.60 114.28 111.83 3hh2 n THR 138 Ca -0.20 0.59 0.10 0.00 -2.27 0.00 0.00 64.05 62.27 3hh2 n THR 138 Cb 0.55 -1.01 0.26 0.00 -2.10 0.00 0.00 70.33 68.03 3hh2 n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hh2 s ARG 140 N -1.43 4.15 -1.78 0.00 6.06 -1.26 -1.86 118.95 122.83 3hh2 s ARG 140 Ca 0.37 2.54 0.00 0.00 -2.50 0.00 0.00 55.73 56.14 3hh2 s ARG 140 Cb 0.20 -4.11 0.00 0.00 0.06 0.00 0.00 34.95 31.10 3hh2 s ARG 140 CO 0.27 -0.93 0.00 -0.25 -2.50 0.00 0.00 175.30 171.89 3hh2 n ASP 141 N 7.38 -5.77 -4.57 -2.12 10.43 -1.26 -4.97 116.55 115.68 3hh2 n ASP 141 Ca 0.19 0.04 -0.39 0.00 2.57 0.00 0.00 54.79 57.20 3hh2 n ASP 141 Cb 0.41 -4.83 -0.10 0.00 1.84 0.00 0.00 41.12 38.44 3hh2 n ASP 141 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hh2 s VAL 142 N -2.99 5.27 -0.36 2.53 1.01 -0.78 -5.05 120.40 120.02 3hh2 s VAL 142 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3hh2 s VAL 142 Cb 0.00 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.79 3hh2 s VAL 142 CO 0.00 0.11 0.15 -0.36 0.00 0.00 0.00 175.10 175.00 3hh2 s PHE 143 N 1.82 3.32 0.31 5.22 0.08 -1.26 -4.89 117.98 122.57 3hh2 s PHE 143 Ca 0.08 -1.60 -0.27 0.00 0.12 0.00 0.00 56.93 55.26 3hh2 s PHE 143 Cb -0.16 -2.55 -0.09 0.00 -0.57 0.00 0.00 43.02 39.64 3hh2 s PHE 143 CO 0.11 -0.79 1.01 0.00 -0.10 0.00 0.00 175.22 175.45 3hh2 s PRO 145 N -1.80 3.50 5.93 0.00 0.02 -1.26 -4.70 135.00 136.69 3hh2 s PRO 145 Ca 0.48 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3hh2 s PRO 145 Cb -0.25 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3hh2 s PRO 145 CO 0.31 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 3hh2 n GLY 146 N 0.47 3.04 1.53 0.52 0.00 -1.26 -2.36 105.19 107.14 3hh2 n GLY 146 Ca 0.09 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.93 3hh2 n GLY 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hh2 n SER 147 N 1.90 4.74 -4.77 1.61 3.41 -1.26 -4.94 113.62 114.31 3hh2 n SER 147 Ca 0.00 -2.51 -0.30 0.00 -0.26 0.00 0.00 58.87 55.80 3hh2 n SER 147 Cb 0.00 -0.57 0.11 0.00 -0.26 0.00 0.00 64.21 63.49 3hh2 n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hh2 s SER 148 N -0.97 4.00 0.08 4.04 1.04 -0.99 -4.83 113.70 116.06 3hh2 s SER 148 Ca 0.50 1.36 0.02 0.00 0.48 0.00 0.00 55.95 58.31 3hh2 s SER 148 Cb 0.33 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 3hh2 s SER 148 CO 0.22 -2.29 -0.07 -0.89 0.98 0.00 0.00 173.24 171.20 3hh2 s THR 149 N -3.07 0.61 -0.06 2.02 2.01 0.11 -4.64 115.64 112.62 3hh2 s THR 149 Ca 0.62 -1.62 -0.19 0.00 0.31 0.00 0.00 61.69 60.80 3hh2 s THR 149 Cb -0.16 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 3hh2 s THR 149 CO 0.55 -0.71 0.54 0.00 -0.69 0.00 0.00 174.62 174.31 3hh2 s VAL 151 N 0.18 0.83 0.11 0.00 -7.23 -0.26 -4.39 120.40 109.64 3hh2 s VAL 151 Ca 0.29 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.55 3hh2 s VAL 151 Cb -0.17 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3hh2 s VAL 151 CO 0.14 -0.58 -0.16 0.68 -0.31 0.00 0.00 175.10 174.86 3hh2 s VAL 152 N -3.55 2.95 0.00 1.32 -7.23 -0.61 -0.17 120.40 113.11 3hh2 s VAL 152 Ca 0.21 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3hh2 s VAL 152 Cb 0.05 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3hh2 s VAL 152 CO 0.02 0.11 0.00 -0.90 -0.31 0.00 0.00 175.10 174.02 3hh2 n ASP 153 N 0.79 0.00 0.00 4.85 5.68 -0.60 -4.65 116.55 122.62 3hh2 n ASP 153 Ca -0.15 -0.53 0.08 0.00 -0.50 0.00 0.00 54.79 53.68 3hh2 n ASP 153 Cb 0.53 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.86 3hh2 n ASP 153 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hh2 n GLN 154 N -0.53 0.07 -0.29 0.11 0.00 -1.26 -2.34 117.38 113.13 3hh2 n GLN 154 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 57.00 57.28 3hh2 n GLN 154 Cb 0.00 -1.50 0.19 0.00 0.00 0.00 0.00 30.24 28.93 3hh2 n GLN 154 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3hh2 n THR 155 N -1.43 2.10 -1.10 -0.39 -1.04 -1.26 -4.95 114.28 106.20 3hh2 n THR 155 Ca 0.05 -2.27 -0.03 0.00 -2.04 0.00 0.00 64.05 59.75 3hh2 n THR 155 Cb 0.16 -0.25 -0.01 0.00 -1.82 0.00 0.00 70.33 68.41 3hh2 n THR 155 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hh2 n ASN 156 N -1.10 -4.71 -4.75 8.00 5.15 -0.99 -4.98 115.26 111.89 3hh2 n ASN 156 Ca 0.19 0.09 -0.41 0.00 -0.60 0.00 0.00 54.58 53.85 3hh2 n ASN 156 Cb 0.76 -2.51 -0.04 0.00 -0.53 0.00 0.00 39.78 37.46 3hh2 n ASN 156 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hh2 s ASN 157 N -2.24 7.23 -0.05 1.20 0.01 -1.26 -0.83 114.94 118.99 3hh2 s ASN 157 Ca 0.00 2.24 -0.18 0.00 -0.71 0.00 0.00 52.86 54.21 3hh2 s ASN 157 Cb 0.00 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 3hh2 s ASN 157 CO 0.00 -0.20 0.49 0.00 -1.51 0.00 0.00 177.10 175.88 3hh2 s ALA 158 N -0.81 3.54 0.04 0.60 0.00 -0.66 -1.55 121.76 122.91 3hh2 s ALA 158 Ca 0.47 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.35 3hh2 s ALA 158 Cb -0.32 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 3hh2 s ALA 158 CO 0.39 0.17 -0.18 0.71 0.00 0.00 0.00 175.76 176.85 3hh2 s TYR 159 N -0.06 1.60 -0.30 0.00 2.02 0.76 -4.68 117.35 116.69 3hh2 s TYR 159 Ca 0.27 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 3hh2 s TYR 159 Cb -0.16 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3hh2 s TYR 159 CO 0.13 0.08 0.27 0.00 -1.57 0.00 0.00 175.55 174.45 3hh2 s VAL 161 N 1.86 0.81 -0.31 0.00 -7.23 0.34 -4.84 120.40 111.03 3hh2 s VAL 161 Ca 0.09 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 3hh2 s VAL 161 Cb -0.16 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 3hh2 s VAL 161 CO 0.11 -0.79 0.54 -0.89 -0.31 0.00 0.00 175.10 173.76 3hh2 s THR 162 N -3.33 5.02 0.30 5.32 2.01 -1.26 0.07 115.64 123.77 3hh2 s THR 162 Ca 0.11 0.65 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 3hh2 s THR 162 Cb 0.03 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 3hh2 s THR 162 CO -0.03 -0.09 1.13 0.00 -0.69 0.00 0.00 174.62 174.94 3hh2 s ASN 164 N -0.87 5.11 0.42 0.00 3.84 -1.26 -4.78 114.94 117.40 3hh2 s ASN 164 Ca 0.47 -0.96 0.19 0.00 0.21 0.00 0.00 52.86 52.76 3hh2 s ASN 164 Cb -0.33 -2.57 0.94 0.00 -0.55 0.00 0.00 41.25 38.74 3hh2 s ASN 164 CO 0.42 -2.84 1.88 0.08 -2.79 0.00 0.00 177.10 173.85 3hh2 h ARG 165 N 10.84 0.00 -4.65 0.43 0.11 -1.98 -3.41 114.38 115.72 3hh2 h ARG 165 Ca 0.13 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.53 3hh2 h ARG 165 Cb 0.99 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.73 3hh2 h ARG 165 CO 1.21 0.29 -0.64 0.42 0.10 0.00 0.00 179.97 181.35 3hh2 s ILE 166 N -4.05 3.08 0.22 0.08 -1.09 -1.26 -5.09 121.20 113.09 3hh2 s ILE 166 Ca -0.02 -1.70 -0.16 0.00 -2.23 0.00 0.00 60.65 56.54 3hh2 s ILE 166 Cb 0.13 -2.93 -0.08 0.00 -1.58 0.00 0.00 42.46 38.00 3hh2 s ILE 166 CO 0.67 -0.36 0.66 0.00 -1.23 0.00 0.00 174.94 174.67 3hh2 n PRO 168 N 0.40 2.77 -1.80 0.00 -0.04 -1.26 -5.13 135.00 129.94 3hh2 n PRO 168 Ca -0.02 1.00 -0.20 0.00 -0.04 0.00 0.00 63.50 64.24 3hh2 n PRO 168 Cb 0.52 -2.83 -0.08 0.00 -0.04 0.00 0.00 33.50 31.07 3hh2 n PRO 168 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hh2 s GLU 169 N 0.85 1.84 -0.13 0.54 2.02 -1.26 -5.08 118.70 117.48 3hh2 s GLU 169 Ca 0.73 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 55.25 3hh2 s GLU 169 Cb -0.50 -5.04 -0.01 0.00 0.10 0.00 0.00 34.13 28.68 3hh2 s GLU 169 CO 0.35 -4.56 0.12 0.00 0.02 0.00 0.00 175.26 171.19 3hh2 n GLN 175 N 8.42 -0.27 -2.23 1.61 10.64 -1.26 -5.23 117.38 129.08 3hh2 n GLN 175 Ca 0.43 0.34 -0.38 0.00 -1.83 0.00 0.00 57.00 55.56 3hh2 n GLN 175 Cb 0.46 -2.12 -0.01 0.00 -0.86 0.00 0.00 30.24 27.71 3hh2 n GLN 175 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3hh2 s TYR 176 N -3.03 2.88 0.04 2.61 2.02 -1.26 -3.88 117.35 116.73 3hh2 s TYR 176 Ca 0.04 1.52 0.03 0.00 -0.37 0.00 0.00 57.07 58.30 3hh2 s TYR 176 Cb -0.01 -3.42 -0.02 0.00 -0.40 0.00 0.00 41.96 38.11 3hh2 s TYR 176 CO 0.11 -1.58 -0.11 -0.51 -1.57 0.00 0.00 175.55 171.89 3hh2 s LEU 177 N -2.90 2.21 -0.24 -1.29 1.43 0.12 0.11 118.68 118.12 3hh2 s LEU 177 Ca 0.62 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 3hh2 s LEU 177 Cb -0.30 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 3hh2 s LEU 177 CO 0.37 -0.08 0.06 0.00 0.23 0.00 0.00 176.35 176.93 3hh2 s GLY 179 N 1.48 1.60 0.00 0.00 0.00 -0.41 0.03 107.32 110.02 3hh2 s GLY 179 Ca 0.06 -0.38 0.12 0.00 0.00 0.00 0.00 44.72 44.51 3hh2 s GLY 179 CO 0.03 -0.11 1.33 0.70 0.00 0.00 0.00 173.10 175.05 3hh2 n ASN 180 N -2.65 0.00 -0.28 1.64 3.02 -0.49 -0.90 115.26 115.61 3hh2 n ASN 180 Ca 0.05 0.32 0.13 0.00 -0.03 0.00 0.00 54.58 55.05 3hh2 n ASN 180 Cb 0.56 -0.40 0.63 0.00 -0.61 0.00 0.00 39.78 39.96 3hh2 n ASN 180 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hh2 n ASP 181 N -1.40 0.85 -0.07 6.41 5.75 -1.26 -4.89 116.55 121.94 3hh2 n ASP 181 Ca 0.04 -1.38 -0.01 0.00 -0.01 0.00 0.00 54.79 53.44 3hh2 n ASP 181 Cb 0.12 -0.02 -0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3hh2 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hh2 n GLY 182 N 1.06 0.49 3.73 6.12 0.00 -0.08 -5.02 105.19 111.49 3hh2 n GLY 182 Ca 0.19 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3hh2 n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hh2 s VAL 183 N -1.98 4.92 -0.08 1.61 1.01 -1.25 -4.91 120.40 119.72 3hh2 s VAL 183 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 3hh2 s VAL 183 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3hh2 s VAL 183 CO 0.00 0.55 0.79 -0.89 0.00 0.00 0.00 175.10 175.55 3hh2 s THR 184 N -0.46 4.97 0.01 3.92 2.01 -1.26 -1.29 115.64 123.54 3hh2 s THR 184 Ca 0.10 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.77 3hh2 s THR 184 Cb -0.12 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3hh2 s THR 184 CO 0.02 0.18 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.68 3hh2 s TYR 185 N 1.17 2.68 -0.98 4.92 1.51 0.10 -4.97 117.35 121.78 3hh2 s TYR 185 Ca 0.41 -0.17 0.28 0.00 -1.01 0.00 0.00 57.07 56.57 3hh2 s TYR 185 Cb -0.18 -1.55 1.04 0.00 -0.11 0.00 0.00 41.96 41.16 3hh2 s TYR 185 CO 0.19 0.26 1.80 -1.13 -1.11 0.00 0.00 175.55 175.56 3hh2 n SER 186 N 1.77 0.17 -3.69 2.29 3.41 -1.26 -0.70 113.62 115.61 3hh2 n SER 186 Ca -0.16 0.34 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3hh2 n SER 186 Cb 0.52 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3hh2 n SER 186 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hh2 s SER 187 N -3.12 -0.27 0.18 4.04 1.04 -1.25 -3.98 113.70 110.34 3hh2 s SER 187 Ca 0.13 -0.32 -0.18 0.00 0.48 0.00 0.00 55.95 56.06 3hh2 s SER 187 Cb 0.18 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.94 3hh2 s SER 187 CO 0.57 -0.93 1.63 0.00 0.98 0.00 0.00 173.24 175.49 3hh2 h ALA 188 N 2.00 0.13 -0.83 5.32 0.00 -1.91 -0.94 119.26 123.03 3hh2 h ALA 188 Ca -0.24 0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3hh2 h ALA 188 Cb 1.24 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 3hh2 h ALA 188 CO 0.27 -0.55 0.40 0.00 0.00 0.00 0.00 179.25 179.37 3hh2 h HIS 190 N 0.55 0.75 -0.57 0.00 -0.00 -1.69 0.19 115.15 114.38 3hh2 h HIS 190 Ca 0.46 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 3hh2 h HIS 190 Cb 0.70 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.92 3hh2 h HIS 190 CO -0.11 0.90 0.32 1.25 -0.00 0.00 0.00 177.93 180.28 3hh2 h LEU 191 N 0.39 0.70 -0.55 2.43 5.85 0.03 -1.23 115.31 122.94 3hh2 h LEU 191 Ca 0.06 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3hh2 h LEU 191 Cb 0.72 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3hh2 h LEU 191 CO 0.05 0.58 0.17 0.03 -0.34 0.00 0.00 178.44 178.93 3hh2 h ARG 192 N 0.76 0.85 -0.12 1.25 3.08 -0.21 -0.20 114.38 119.80 3hh2 h ARG 192 Ca 0.20 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3hh2 h ARG 192 Cb 0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 3hh2 h ARG 192 CO -0.03 0.78 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.33 3hh2 h LYS 193 N 0.76 -0.10 -0.00 0.04 3.64 -0.39 -0.60 116.57 119.92 3hh2 h LYS 193 Ca 0.18 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3hh2 h LYS 193 Cb 0.29 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3hh2 h LYS 193 CO -0.00 -0.07 -0.27 0.00 -2.27 0.00 0.00 179.45 176.84 3hh2 h ALA 194 N 0.98 1.55 -0.28 5.00 0.00 -0.94 -1.93 119.26 123.64 3hh2 h ALA 194 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hh2 h ALA 194 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hh2 h ALA 194 CO -0.18 0.34 -0.02 1.15 0.00 0.00 0.00 179.25 180.54 3hh2 h THR 195 N 0.00 1.26 -0.53 0.00 2.02 -0.46 -1.01 112.91 114.20 3hh2 h THR 195 Ca -0.00 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.24 3hh2 h THR 195 Cb 0.48 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3hh2 h THR 195 CO 0.04 0.31 0.29 0.00 0.37 0.00 0.00 175.52 176.53 3hh2 h LEU 197 N 0.57 0.80 -1.34 0.00 3.38 -1.24 -2.51 115.31 114.98 3hh2 h LEU 197 Ca 0.23 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hh2 h LEU 197 Cb 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hh2 h LEU 197 CO -0.13 1.01 0.10 0.25 0.09 0.00 0.00 178.44 179.75 3hh2 h LEU 198 N 0.69 0.50 0.00 1.67 5.85 -0.76 -3.47 115.31 119.78 3hh2 h LEU 198 Ca 0.09 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hh2 h LEU 198 Cb 0.75 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3hh2 h LEU 198 CO 0.06 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.27 3hh2 n GLY 199 N -1.08 0.72 3.70 3.75 0.00 -0.52 -5.04 105.19 106.71 3hh2 n GLY 199 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3hh2 n GLY 199 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hh2 s ARG 200 N -0.73 1.56 0.41 1.61 1.70 -1.21 -1.57 118.95 120.72 3hh2 s ARG 200 Ca 0.00 -0.78 -0.27 0.00 -0.47 0.00 0.00 55.73 54.21 3hh2 s ARG 200 Cb 0.00 0.59 -0.10 0.00 -0.57 0.00 0.00 34.95 34.87 3hh2 s ARG 200 CO 0.00 -0.71 1.48 0.43 -1.08 0.00 0.00 175.30 175.42 3hh2 n SER 201 N -0.43 3.69 -0.11 -2.89 7.64 -1.26 -4.75 113.62 115.52 3hh2 n SER 201 Ca -0.09 1.19 -0.19 0.00 1.01 0.00 0.00 58.87 60.79 3hh2 n SER 201 Cb 0.61 -1.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.12 3hh2 n SER 201 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3hh2 n ILE 202 N 0.20 1.42 0.00 0.44 5.41 -1.26 -5.11 119.36 120.46 3hh2 n ILE 202 Ca 0.02 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3hh2 n ILE 202 Cb 0.40 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 3hh2 n ILE 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hh2 n GLY 203 N 1.52 2.08 3.65 7.39 0.00 -1.26 -4.28 105.19 114.28 3hh2 n GLY 203 Ca -0.35 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3hh2 n GLY 203 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hh2 s LEU 204 N -0.03 4.09 -0.11 0.99 2.96 -1.26 -1.39 118.68 123.93 3hh2 s LEU 204 Ca 0.00 1.10 -0.25 0.00 -0.22 0.00 0.00 54.13 54.76 3hh2 s LEU 204 Cb 0.00 -3.24 -0.22 0.00 0.50 0.00 0.00 46.19 43.23 3hh2 s LEU 204 CO 0.00 -0.52 0.77 0.00 -1.32 0.00 0.00 176.35 175.28 3hh2 h ALA 205 N 7.61 -0.02 -1.96 5.97 0.00 -0.62 -3.45 119.26 126.79 3hh2 h ALA 205 Ca -0.23 -0.39 0.16 0.00 0.00 0.00 0.00 54.91 54.44 3hh2 h ALA 205 Cb 1.09 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 3hh2 h ALA 205 CO 0.88 -0.06 0.61 1.52 0.00 0.00 0.00 179.25 182.20 3hh2 s TYR 206 N -2.53 -0.27 0.46 0.00 -0.85 -1.00 -0.24 117.35 112.92 3hh2 s TYR 206 Ca -0.16 0.19 -0.23 0.00 -0.52 0.00 0.00 57.07 56.35 3hh2 s TYR 206 Cb -0.02 0.52 -0.07 0.00 0.38 0.00 0.00 41.96 42.77 3hh2 s TYR 206 CO 0.60 -0.41 1.15 -1.21 -1.52 0.00 0.00 175.55 174.15 3hh2 s GLU 207 N -2.75 3.78 0.13 -3.49 8.01 -1.26 -0.70 118.70 122.42 3hh2 s GLU 207 Ca 0.06 1.72 0.00 0.00 0.01 0.00 0.00 54.97 56.76 3hh2 s GLU 207 Cb -0.01 -2.38 0.00 0.00 -4.31 0.00 0.00 34.13 27.43 3hh2 s GLU 207 CO -0.07 -0.52 0.00 0.41 0.01 0.00 0.00 175.26 175.09 3hh2 n GLY 208 N 0.39 -2.75 3.79 -1.39 0.00 0.29 -4.75 105.19 100.78 3hh2 n GLY 208 Ca 0.07 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 3hh2 n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hh2 s LYS 209 N -0.46 4.36 0.36 1.61 1.02 -1.26 -1.81 119.74 123.56 3hh2 s LYS 209 Ca 0.00 1.29 -0.28 0.00 0.02 0.00 0.00 55.97 57.00 3hh2 s LYS 209 Cb 0.00 -2.52 -0.11 0.00 -0.52 0.00 0.00 37.83 34.68 3hh2 s LYS 209 CO 0.00 0.08 1.50 0.00 -0.92 0.00 0.00 175.35 176.01 3hh2 s ILE 211 N -0.95 2.97 -1.47 0.00 -4.36 -1.26 -5.02 121.20 111.11 3hh2 s ILE 211 Ca 0.54 -1.72 -0.09 0.00 -0.26 0.00 0.00 60.65 59.12 3hh2 s ILE 211 Cb -0.47 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 40.82 3hh2 s ILE 211 CO 0.61 -0.09 2.56 0.29 0.24 0.00 0.00 174.94 178.55 3hh2 n LYS 212 N 0.17 3.89 -1.77 0.37 5.02 -1.26 -4.96 118.16 119.61 3hh2 n LYS 212 Ca -0.12 -2.82 -0.38 0.00 -2.02 0.00 0.00 58.31 52.98 3hh2 n LYS 212 Cb 0.55 -2.82 0.05 0.00 -0.02 0.00 0.00 35.03 32.80 3hh2 n LYS 212 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hh2 s ALA 213 N 1.00 2.59 -0.62 7.82 0.00 -1.26 -4.93 121.76 126.35 3hh2 s ALA 213 Ca 0.58 1.27 0.11 0.00 0.00 0.00 0.00 51.96 53.93 3hh2 s ALA 213 Cb 0.17 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 3hh2 s ALA 213 CO -0.07 -1.48 0.52 0.36 0.00 0.00 0.00 175.76 175.09 3hh2 n LYS 214 N -1.48 3.04 -2.74 0.00 2.85 -1.26 -4.92 118.16 113.64 3hh2 n LYS 214 Ca 0.13 -0.10 -0.03 0.00 -1.05 0.00 0.00 58.31 57.26 3hh2 n LYS 214 Cb 0.47 -1.06 0.01 0.00 -0.65 0.00 0.00 35.03 33.81 3hh2 n LYS 214 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3hh2 n SER 215 N -1.11 -1.17 0.26 -5.58 3.41 -1.26 -5.02 113.62 103.14 3hh2 n SER 215 Ca 0.03 -1.72 0.13 0.00 -0.26 0.00 0.00 58.87 57.04 3hh2 n SER 215 Cb 0.19 1.93 0.66 0.00 -0.26 0.00 0.00 64.21 66.73 3hh2 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hh2 h GLU 217 N 0.00 0.00 0.00 0.00 5.08 -2.00 -0.28 114.58 117.38 3hh2 h GLU 217 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hh2 h GLU 217 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hh2 h GLU 217 CO 0.02 0.00 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.75 3hh2 n ASP 218 N -3.94 0.18 -4.35 1.42 8.00 -1.01 -4.75 116.55 112.10 3hh2 n ASP 218 Ca -0.03 0.49 -0.34 0.00 0.71 0.00 0.00 54.79 55.62 3hh2 n ASP 218 Cb 0.10 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 3hh2 n ASP 218 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hh2 s ILE 219 N -3.02 3.39 -0.68 0.53 1.01 -0.12 -4.94 121.20 117.38 3hh2 s ILE 219 Ca 0.13 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 3hh2 s ILE 219 Cb 0.18 -2.51 0.18 0.00 0.01 0.00 0.00 42.46 40.31 3hh2 s ILE 219 CO 0.55 0.46 0.59 0.00 0.00 0.00 0.00 174.94 176.54 3hh2 s GLN 220 N 1.06 3.12 0.94 2.79 1.03 -1.26 -4.95 119.66 122.39 3hh2 s GLN 220 Ca 0.01 -2.22 -0.11 0.00 0.04 0.00 0.00 55.36 53.08 3hh2 s GLN 220 Cb -0.15 -4.20 0.15 0.00 0.03 0.00 0.00 33.01 28.85 3hh2 s GLN 220 CO -0.00 -1.26 1.09 0.00 -2.54 0.00 0.00 175.29 172.57 3hh2 s THR 222 N -2.81 0.00 -1.06 0.00 -4.23 -1.26 -4.88 115.64 101.40 3hh2 s THR 222 Ca 0.65 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3hh2 s THR 222 Cb -0.20 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3hh2 s THR 222 CO 0.58 0.00 0.08 0.61 -0.54 0.00 0.00 174.62 175.35 3hh2 n GLY 223 N -0.46 -0.13 2.31 3.99 0.00 -1.26 -2.69 105.19 106.95 3hh2 n GLY 223 Ca 0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 3hh2 n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hh2 n GLY 224 N -1.06 0.39 3.95 -0.02 0.00 -1.26 -5.00 105.19 102.19 3hh2 n GLY 224 Ca -0.13 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3hh2 n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hh2 s LYS 225 N -4.15 3.46 0.03 1.61 1.02 -1.09 -4.78 119.74 115.84 3hh2 s LYS 225 Ca 0.00 -0.57 0.08 0.00 0.02 0.00 0.00 55.97 55.51 3hh2 s LYS 225 Cb 0.00 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3hh2 s LYS 225 CO 0.00 0.41 -0.23 0.21 -0.92 0.00 0.00 175.35 174.82 3hh2 s LYS 226 N -3.67 1.96 0.01 1.68 2.20 -0.25 -4.52 119.74 117.15 3hh2 s LYS 226 Ca 0.36 -1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 3hh2 s LYS 226 Cb -0.10 -2.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 3hh2 s LYS 226 CO 0.30 0.53 1.06 0.00 -0.36 0.00 0.00 175.35 176.88 3hh2 s LEU 228 N 1.14 2.57 -0.18 0.00 1.43 0.25 -4.59 118.68 119.30 3hh2 s LEU 228 Ca 0.54 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 3hh2 s LEU 228 Cb -0.24 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3hh2 s LEU 228 CO 0.27 0.16 0.32 0.86 0.23 0.00 0.00 176.35 178.19 3hh2 s TRP 229 N 0.38 3.42 -0.58 0.29 -0.11 0.31 -1.20 118.94 121.45 3hh2 s TRP 229 Ca -0.12 0.57 -0.19 0.00 1.22 0.00 0.00 56.10 57.58 3hh2 s TRP 229 Cb -0.16 -2.40 0.10 0.00 -1.50 0.00 0.00 33.47 29.50 3hh2 s TRP 229 CO 0.06 0.13 0.69 0.34 -4.62 0.00 0.00 176.95 173.55 3hh2 s ASP 230 N 0.74 6.19 0.33 5.86 -1.08 -0.15 -0.53 116.67 128.02 3hh2 s ASP 230 Ca 0.17 -1.37 0.26 0.00 -0.52 0.00 0.00 52.55 51.08 3hh2 s ASP 230 Cb -0.14 -2.30 1.07 0.00 -1.46 0.00 0.00 42.92 40.09 3hh2 s ASP 230 CO 0.05 -1.08 1.78 -0.26 0.52 0.00 0.00 175.17 176.19 3hh2 h PHE 231 N 9.15 0.00 -0.01 -5.34 -1.00 -1.87 -0.38 116.94 117.49 3hh2 h PHE 231 Ca -0.29 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.31 3hh2 h PHE 231 Cb 1.09 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.63 3hh2 h PHE 231 CO 0.82 0.00 -0.80 0.87 -1.61 0.00 0.00 178.31 177.59 3hh2 h LYS 232 N 0.00 0.12 -0.00 1.51 1.57 -1.95 -3.34 116.57 114.48 3hh2 h LYS 232 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3hh2 h LYS 232 Cb 0.42 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hh2 h LYS 232 CO 0.00 0.86 -0.19 1.33 -0.57 0.00 0.00 179.45 180.87 3hh2 n VAL 233 N -3.67 0.00 -2.28 0.50 0.24 -1.14 -5.03 118.33 106.95 3hh2 n VAL 233 Ca -0.02 -0.40 -0.07 0.00 -2.04 0.00 0.00 64.34 61.80 3hh2 n VAL 233 Cb 0.76 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 3hh2 n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hh2 n GLY 234 N 0.97 0.14 3.11 7.63 0.00 -0.16 -5.05 105.19 111.83 3hh2 n GLY 234 Ca 0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 3hh2 n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hh2 s ARG 235 N -4.58 0.67 0.39 1.61 0.52 -1.17 -4.91 118.95 111.48 3hh2 s ARG 235 Ca 0.04 -1.00 0.08 0.00 -0.52 0.00 0.00 55.73 54.33 3hh2 s ARG 235 Cb -0.02 -0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.15 3hh2 s ARG 235 CO 0.05 0.03 0.39 0.20 0.02 0.00 0.00 175.30 175.99 3hh2 s GLY 236 N -2.18 2.00 -0.15 -3.53 0.00 -1.26 -0.98 107.32 101.22 3hh2 s GLY 236 Ca -0.01 -1.78 -0.12 0.00 0.00 0.00 0.00 44.72 42.81 3hh2 s GLY 236 CO -0.02 -1.62 0.40 -1.60 0.00 0.00 0.00 173.10 170.26 3hh2 s ARG 237 N -4.13 0.44 -0.33 2.90 3.52 -0.34 -4.86 118.95 116.14 3hh2 s ARG 237 Ca 0.47 0.62 -0.14 0.00 -0.13 0.00 0.00 55.73 56.55 3hh2 s ARG 237 Cb -0.05 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 3hh2 s ARG 237 CO 0.28 -0.09 0.30 0.00 -0.81 0.00 0.00 175.30 174.99 3hh2 s SER 239 N 1.73 3.54 0.14 0.00 0.01 -0.27 -4.81 113.70 114.04 3hh2 s SER 239 Ca 0.09 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 3hh2 s SER 239 Cb -0.17 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.72 3hh2 s SER 239 CO 0.11 0.18 1.79 -0.07 0.41 0.00 0.00 173.24 175.65 3hh2 h LEU 240 N 3.82 0.30 2.32 2.44 3.38 -1.86 -0.64 115.31 125.07 3hh2 h LEU 240 Ca -0.51 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.07 3hh2 h LEU 240 Cb 1.17 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3hh2 h LEU 240 CO 0.42 0.22 -0.46 0.00 0.09 0.00 0.00 178.44 178.71 3hh2 n ASP 242 N -1.75 0.92 -4.79 0.00 3.85 -1.26 -5.00 116.55 108.52 3hh2 n ASP 242 Ca -0.22 -0.96 -0.35 0.00 -0.71 0.00 0.00 54.79 52.55 3hh2 n ASP 242 Cb 0.67 0.89 -0.03 0.00 -1.35 0.00 0.00 41.12 41.30 3hh2 n ASP 242 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3hh2 s GLU 243 N -2.34 3.86 0.06 0.11 0.41 -1.26 -5.05 118.70 114.48 3hh2 s GLU 243 Ca 0.07 1.50 0.03 0.00 -0.41 0.00 0.00 54.97 56.17 3hh2 s GLU 243 Cb 0.12 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.16 3hh2 s GLU 243 CO 0.59 -0.41 0.03 -0.51 -0.49 0.00 0.00 175.26 174.46 3hh2 s LEU 244 N -3.18 3.60 0.07 1.80 1.43 -1.26 -5.04 118.68 116.10 3hh2 s LEU 244 Ca 0.64 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.65 3hh2 s LEU 244 Cb -0.21 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 3hh2 s LEU 244 CO 0.25 0.21 0.27 0.00 0.23 0.00 0.00 176.35 177.32 3hh2 n PRO 246 N 0.46 0.00 -2.04 0.00 -0.02 -1.26 -5.15 135.00 126.98 3hh2 n PRO 246 Ca -0.06 0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 3hh2 n PRO 246 Cb 0.52 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 3hh2 n PRO 246 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3hh2 n GLU 252 N -1.24 -0.59 -1.69 -0.52 0.28 -1.25 -5.26 120.64 110.38 3hh2 n GLU 252 Ca 0.00 0.93 -0.37 0.00 -0.16 0.00 0.00 57.16 57.56 3hh2 n GLU 252 Cb 0.00 -3.04 0.07 0.00 1.43 0.00 0.00 31.44 29.90 3hh2 n GLU 252 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3hh2 n PRO 253 N -1.04 1.03 -4.26 3.44 -0.02 -1.20 -4.06 135.00 128.89 3hh2 n PRO 253 Ca 0.01 0.41 -0.17 0.00 -2.02 0.00 0.00 63.50 61.73 3hh2 n PRO 253 Cb 0.41 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 3hh2 n PRO 253 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hh2 s VAL 254 N -1.43 1.37 -0.25 -1.45 -7.23 -0.33 -0.65 120.40 110.42 3hh2 s VAL 254 Ca 0.81 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 59.05 3hh2 s VAL 254 Cb -0.39 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 3hh2 s VAL 254 CO 0.42 -0.51 0.06 0.00 -0.31 0.00 0.00 175.10 174.76 3hh2 s ALA 256 N 1.58 3.57 -1.35 0.00 0.00 -0.26 0.38 121.76 125.68 3hh2 s ALA 256 Ca 0.06 -1.51 0.20 0.00 0.00 0.00 0.00 51.96 50.71 3hh2 s ALA 256 Cb -0.15 -2.15 1.00 0.00 0.00 0.00 0.00 23.12 21.82 3hh2 s ALA 256 CO 0.03 -1.37 1.65 -1.13 0.00 0.00 0.00 175.76 174.93 3hh2 n SER 257 N -2.82 0.00 -0.55 0.00 3.41 0.24 -0.79 113.62 113.12 3hh2 n SER 257 Ca 0.13 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.92 3hh2 n SER 257 Cb 0.60 -0.32 0.36 0.00 -0.26 0.00 0.00 64.21 64.59 3hh2 n SER 257 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hh2 n ASP 258 N -1.32 1.63 -3.73 4.04 3.85 -1.26 -4.92 116.55 114.84 3hh2 n ASP 258 Ca 0.09 -1.72 -0.27 0.00 -0.71 0.00 0.00 54.79 52.18 3hh2 n ASP 258 Cb 0.18 -0.11 0.06 0.00 -1.35 0.00 0.00 41.12 39.89 3hh2 n ASP 258 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3hh2 n ASN 259 N 0.31 -5.71 -4.49 -1.12 3.02 0.03 -5.02 115.26 102.28 3hh2 n ASN 259 Ca 0.16 -0.64 -0.27 0.00 -0.03 0.00 0.00 54.58 53.80 3hh2 n ASN 259 Cb 0.32 -4.52 -0.11 0.00 -0.61 0.00 0.00 39.78 34.87 3hh2 n ASN 259 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hh2 s ALA 260 N -3.30 2.72 -0.07 5.41 0.00 -1.26 -4.88 121.76 120.37 3hh2 s ALA 260 Ca 0.62 -1.60 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 3hh2 s ALA 260 Cb -0.29 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3hh2 s ALA 260 CO 0.77 0.43 0.35 0.99 0.00 0.00 0.00 175.76 178.30 3hh2 s THR 261 N -1.76 5.18 0.25 0.00 2.01 -1.26 -1.10 115.64 118.96 3hh2 s THR 261 Ca 0.23 0.70 0.10 0.00 0.31 0.00 0.00 61.69 63.03 3hh2 s THR 261 Cb -0.08 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 3hh2 s THR 261 CO 0.12 0.50 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.09 3hh2 s TYR 262 N -0.46 2.02 -0.92 4.92 2.02 -0.23 -4.99 117.35 119.71 3hh2 s TYR 262 Ca 0.21 -0.48 0.23 0.00 -0.37 0.00 0.00 57.07 56.67 3hh2 s TYR 262 Cb -0.15 -0.94 0.96 0.00 -0.40 0.00 0.00 41.96 41.43 3hh2 s TYR 262 CO 0.09 0.52 1.74 0.00 -1.57 0.00 0.00 175.55 176.33 3hh2 n ALA 263 N -0.53 2.04 -3.59 3.71 0.00 -1.26 -1.18 120.51 119.70 3hh2 n ALA 263 Ca -0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 3hh2 n ALA 263 Cb 0.61 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 3hh2 n ALA 263 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hh2 s SER 264 N -3.29 -0.21 0.44 0.00 0.15 -1.26 -3.22 113.70 106.31 3hh2 s SER 264 Ca 0.10 0.11 0.11 0.00 0.70 0.00 0.00 55.95 56.98 3hh2 s SER 264 Cb 0.14 0.19 0.96 0.00 -1.71 0.00 0.00 66.02 65.60 3hh2 s SER 264 CO 0.44 -0.27 2.02 -0.08 1.20 0.00 0.00 173.24 176.55 3hh2 h GLU 265 N 2.16 0.22 -0.33 5.44 4.81 -1.89 -1.86 114.58 123.13 3hh2 h GLU 265 Ca -0.13 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 3hh2 h GLU 265 Cb 1.18 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3hh2 h GLU 265 CO 0.26 0.25 -0.40 0.00 -0.73 0.00 0.00 179.01 178.39 3hh2 h ALA 267 N 0.90 1.11 -0.21 0.00 0.00 -1.84 -2.27 119.26 116.94 3hh2 h ALA 267 Ca 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3hh2 h ALA 267 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3hh2 h ALA 267 CO 0.09 0.68 0.07 1.98 0.00 0.00 0.00 179.25 182.06 3hh2 h MET 268 N 0.00 0.33 -0.63 0.00 -1.53 -1.11 -1.73 114.93 110.26 3hh2 h MET 268 Ca -0.01 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.20 3hh2 h MET 268 Cb 0.96 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.93 3hh2 h MET 268 CO 0.07 0.42 0.41 0.87 0.14 0.00 0.00 176.91 178.83 3hh2 h LYS 269 N 0.17 0.78 -0.58 0.39 1.57 -1.21 0.99 116.57 118.68 3hh2 h LYS 269 Ca 0.07 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3hh2 h LYS 269 Cb 0.23 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3hh2 h LYS 269 CO -0.00 0.52 0.02 0.93 -0.57 0.00 0.00 179.45 180.34 3hh2 h GLU 270 N 0.81 1.02 -0.35 3.15 5.08 -1.08 -0.31 114.58 122.89 3hh2 h GLU 270 Ca 0.24 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3hh2 h GLU 270 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3hh2 h GLU 270 CO -0.06 1.00 -0.33 0.00 -1.00 0.00 0.00 179.01 178.62 3hh2 h ALA 271 N 0.98 0.75 0.10 3.43 0.00 -0.50 0.43 119.26 124.45 3hh2 h ALA 271 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hh2 h ALA 271 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hh2 h ALA 271 CO 0.03 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.85 3hh2 h ALA 272 N 0.96 -0.17 -0.69 0.00 0.00 -0.68 -1.69 119.26 116.99 3hh2 h ALA 272 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hh2 h ALA 272 Cb 0.88 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3hh2 h ALA 272 CO 0.08 -0.61 0.45 0.00 0.00 0.00 0.00 179.25 179.17 3hh2 h SER 274 N 0.90 1.06 0.33 0.00 0.02 -0.76 -3.25 113.55 111.84 3hh2 h SER 274 Ca 0.26 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3hh2 h SER 274 Cb -0.06 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.21 3hh2 h SER 274 CO -0.08 0.92 -0.90 -1.54 -1.14 0.00 0.00 176.83 174.10 3hh2 n SER 275 N -4.29 0.67 -0.31 3.07 3.41 -0.65 -4.95 113.62 110.57 3hh2 n SER 275 Ca 0.07 -0.43 -0.04 0.00 -0.26 0.00 0.00 58.87 58.22 3hh2 n SER 275 Cb 0.17 0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 64.83 3hh2 n SER 275 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hh2 n GLY 276 N 1.44 0.69 3.23 5.00 0.00 -0.12 -5.01 105.19 110.41 3hh2 n GLY 276 Ca 0.03 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 3hh2 n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hh2 s VAL 277 N -2.12 2.73 0.16 1.61 1.01 -1.02 -0.53 120.40 122.24 3hh2 s VAL 277 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 3hh2 s VAL 277 Cb 0.00 -2.19 -0.10 0.00 0.00 0.00 0.00 36.38 34.09 3hh2 s VAL 277 CO 0.00 0.49 1.56 -0.22 0.00 0.00 0.00 175.10 176.93 3hh2 s LEU 278 N 1.26 4.37 -0.01 3.92 2.96 0.31 -4.38 118.68 127.11 3hh2 s LEU 278 Ca 0.03 2.60 0.06 0.00 -0.22 0.00 0.00 54.13 56.60 3hh2 s LEU 278 Cb -0.14 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 3hh2 s LEU 278 CO -0.06 -0.82 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.21 3hh2 s LEU 279 N 1.14 2.04 0.13 -0.68 1.43 -1.26 -4.81 118.68 116.67 3hh2 s LEU 279 Ca 0.70 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 3hh2 s LEU 279 Cb -0.43 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3hh2 s LEU 279 CO 0.31 0.23 -0.19 -1.61 0.23 0.00 0.00 176.35 175.31 3hh2 s GLU 280 N -0.46 1.19 0.03 1.70 0.41 -1.26 -4.92 118.70 115.39 3hh2 s GLU 280 Ca 0.07 -1.29 -0.30 0.00 -0.41 0.00 0.00 54.97 53.04 3hh2 s GLU 280 Cb -0.07 -1.33 -0.06 0.00 -1.78 0.00 0.00 34.13 30.89 3hh2 s GLU 280 CO -0.01 0.29 1.31 0.08 -0.49 0.00 0.00 175.26 176.44 3hh2 s VAL 281 N -1.66 3.79 -0.17 2.63 1.01 -1.26 -0.59 120.40 124.14 3hh2 s VAL 281 Ca 0.11 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 3hh2 s VAL 281 Cb -0.08 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 3hh2 s VAL 281 CO 0.05 0.05 0.14 0.50 0.00 0.00 0.00 175.10 175.84 3hh2 h LYS 282 N 7.27 0.00 -3.25 2.72 3.64 -0.31 -3.46 116.57 123.18 3hh2 h LYS 282 Ca -0.39 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 3hh2 h LYS 282 Cb 1.19 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 3hh2 h LYS 282 CO 0.87 0.57 0.11 -3.38 -2.27 0.00 0.00 179.45 175.34 3hh2 s HIS 283 N -2.21 0.06 0.45 1.91 -3.43 -1.11 -5.03 115.29 105.93 3hh2 s HIS 283 Ca -0.20 -0.50 -0.21 0.00 -0.80 0.00 0.00 55.06 53.35 3hh2 s HIS 283 Cb 0.03 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.61 3hh2 s HIS 283 CO 0.42 -1.19 1.02 -1.12 -2.00 0.00 0.00 174.74 171.87 3hh2 s SER 284 N -2.98 6.58 0.00 7.38 0.01 -1.26 -1.19 113.70 122.24 3hh2 s SER 284 Ca 0.16 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.31 3hh2 s SER 284 Cb -0.04 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3hh2 s SER 284 CO 0.09 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.73 3hh2 n GLY 285 N -0.21 -1.39 3.75 3.44 0.00 0.17 -4.69 105.19 106.27 3hh2 n GLY 285 Ca 0.08 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 3hh2 n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hh2 s SER 286 N -2.94 6.63 0.02 1.61 0.15 -1.26 -2.59 113.70 115.31 3hh2 s SER 286 Ca 0.00 2.73 -0.27 0.00 0.70 0.00 0.00 55.95 59.11 3hh2 s SER 286 Cb 0.00 -2.63 -0.15 0.00 -1.71 0.00 0.00 66.02 61.52 3hh2 s SER 286 CO 0.00 -0.69 1.16 0.00 1.20 0.00 0.00 173.24 174.90