#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyr s LYS 3 N 0.00 4.15 0.10 1.64 0.00 -1.26 -0.31 119.74 124.06 3hyr s LYS 3 Ca 0.00 -0.19 0.10 0.00 0.00 0.00 0.00 55.97 55.88 3hyr s LYS 3 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 37.83 34.39 3hyr s LYS 3 CO 0.00 0.32 -0.25 -0.51 0.00 0.00 0.00 175.35 174.91 3hyr s LEU 4 N 0.29 2.27 -0.13 2.77 1.43 -0.79 -4.95 118.68 119.56 3hyr s LEU 4 Ca 0.09 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3hyr s LEU 4 Cb -0.11 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 3hyr s LEU 4 CO -0.01 0.18 -0.11 0.28 0.23 0.00 0.00 176.35 176.91 3hyr s THR 5 N -0.99 3.19 -0.08 5.49 -1.32 -1.26 -1.88 115.64 118.79 3hyr s THR 5 Ca 0.12 -0.61 0.04 0.00 -1.21 0.00 0.00 61.69 60.02 3hyr s THR 5 Cb -0.10 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 3hyr s THR 5 CO 0.04 0.52 -0.21 -0.63 -2.21 0.00 0.00 174.62 172.14 3hyr s ILE 6 N 0.34 1.77 -0.05 5.08 1.01 -0.14 -0.17 121.20 129.04 3hyr s ILE 6 Ca -0.10 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3hyr s ILE 6 Cb -0.16 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3hyr s ILE 6 CO 0.05 0.50 0.28 -0.83 0.00 0.00 0.00 174.94 174.94 3hyr s GLY 7 N 0.36 2.32 -0.20 6.18 0.00 -0.87 -0.71 107.32 114.40 3hyr s GLY 7 Ca -0.16 -0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 3hyr s GLY 7 CO 0.07 -0.12 -0.00 -2.27 0.00 0.00 0.00 173.10 170.77 3hyr s LEU 8 N -1.09 3.23 -0.07 0.66 0.20 -0.32 -0.47 118.68 120.81 3hyr s LEU 8 Ca 0.20 -0.21 -0.05 0.00 0.69 0.00 0.00 54.13 54.76 3hyr s LEU 8 Cb -0.14 -1.82 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 3hyr s LEU 8 CO 0.09 0.06 0.17 -0.51 -0.29 0.00 0.00 176.35 175.87 3hyr s ILE 9 N 1.02 -0.02 0.06 6.68 2.07 -0.23 -1.44 121.20 129.33 3hyr s ILE 9 Ca 0.02 0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.07 3hyr s ILE 9 Cb -0.14 -0.26 0.09 0.00 0.13 0.00 0.00 42.46 42.28 3hyr s ILE 9 CO 0.02 0.03 1.19 -0.83 -1.91 0.00 0.00 174.94 173.43 3hyr s GLY 10 N 0.60 -0.11 0.80 1.50 0.00 -1.26 -0.78 107.32 108.07 3hyr s GLY 10 Ca -0.04 0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.59 3hyr s GLY 10 CO -0.03 3.25 1.17 -1.31 0.00 0.00 0.00 173.10 176.18 3hyr s ASN 11 N -3.48 3.82 1.09 1.64 0.01 -1.21 -1.89 114.94 114.93 3hyr s ASN 11 Ca 0.23 2.24 -0.13 0.00 -0.71 0.00 0.00 52.86 54.49 3hyr s ASN 11 Cb -0.00 -2.57 0.24 0.00 0.41 0.00 0.00 41.25 39.33 3hyr s ASN 11 CO 0.01 -2.51 1.06 -2.16 -1.51 0.00 0.00 177.10 171.99 3hyr s PRO 12 N -4.27 -0.33 -1.59 -0.60 0.04 -1.26 -3.47 135.00 123.52 3hyr s PRO 12 Ca 0.70 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.41 3hyr s PRO 12 Cb -0.26 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3hyr s PRO 12 CO 0.51 -3.28 0.00 0.09 0.04 0.00 0.00 177.00 174.35 3hyr n ASN 13 N -4.58 -4.98 -0.30 6.66 3.02 -1.26 -4.85 115.26 108.96 3hyr n ASN 13 Ca 0.04 0.16 0.07 0.00 -0.03 0.00 0.00 54.58 54.82 3hyr n ASN 13 Cb 0.56 -4.25 0.13 0.00 -0.61 0.00 0.00 39.78 35.61 3hyr n ASN 13 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hyr n SER 14 N -1.69 2.66 0.00 6.41 7.64 -1.23 -4.96 113.62 122.46 3hyr n SER 14 Ca -0.20 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.02 3hyr n SER 14 Cb 0.64 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3hyr n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hyr n GLY 15 N -0.75 0.46 0.14 0.23 0.00 -1.26 -4.65 105.19 99.36 3hyr n GLY 15 Ca 0.13 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 3hyr n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hyr h LYS 16 N 0.39 0.38 -0.59 1.61 3.64 -1.93 -1.65 116.57 118.42 3hyr h LYS 16 Ca 0.00 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3hyr h LYS 16 Cb 0.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3hyr h LYS 16 CO 0.00 0.58 0.21 1.15 -2.27 0.00 0.00 179.45 179.11 3hyr h THR 17 N 0.15 1.24 -0.51 1.00 2.02 -1.97 -1.07 112.91 113.76 3hyr h THR 17 Ca 0.06 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.52 3hyr h THR 17 Cb 0.40 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3hyr h THR 17 CO 0.01 0.30 0.22 0.74 0.37 0.00 0.00 175.52 177.16 3hyr h THR 18 N 0.83 0.89 -0.41 3.16 2.02 -1.96 -0.14 112.91 117.30 3hyr h THR 18 Ca 0.19 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3hyr h THR 18 Cb 0.25 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3hyr h THR 18 CO -0.01 0.08 0.24 0.25 0.37 0.00 0.00 175.52 176.44 3hyr h LEU 19 N 0.42 0.50 -0.19 2.58 5.85 -1.05 -1.38 115.31 122.05 3hyr h LEU 19 Ca 0.23 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3hyr h LEU 19 Cb 0.20 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3hyr h LEU 19 CO -0.20 0.43 -0.40 0.15 -0.34 0.00 0.00 178.44 178.07 3hyr h PHE 20 N 0.54 -1.16 -0.88 1.25 3.57 -0.48 0.75 116.94 120.53 3hyr h PHE 20 Ca 0.15 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3hyr h PHE 20 Cb 0.03 0.53 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 3hyr h PHE 20 CO -0.03 -0.46 0.55 -0.91 -2.23 0.00 0.00 178.31 175.24 3hyr h ASN 21 N -0.44 1.04 -0.58 0.41 2.35 -0.98 -1.13 115.58 116.25 3hyr h ASN 21 Ca 0.09 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3hyr h ASN 21 Cb 0.60 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3hyr h ASN 21 CO -0.43 0.78 0.37 1.56 -1.65 0.00 0.00 177.43 178.06 3hyr h GLN 22 N 1.20 0.72 -0.34 0.81 4.20 -0.59 -0.21 115.11 120.91 3hyr h GLN 22 Ca 0.32 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.82 3hyr h GLN 22 Cb -0.09 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.52 3hyr h GLN 22 CO -0.06 0.48 -0.45 -0.07 -0.67 0.00 0.00 178.83 178.05 3hyr h LEU 23 N 0.74 0.97 0.00 1.46 3.38 -0.51 -3.36 115.31 117.99 3hyr h LEU 23 Ca 0.22 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hyr h LEU 23 Cb -0.04 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3hyr h LEU 23 CO -0.07 1.27 -1.13 0.35 0.09 0.00 0.00 178.44 178.95 3hyr n THR 24 N -4.03 0.00 0.00 0.22 -2.24 -0.46 -4.56 114.28 103.21 3hyr n THR 24 Ca -0.03 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3hyr n THR 24 Cb 0.58 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3hyr n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hyr n GLY 25 N 1.43 2.97 0.36 3.38 0.00 -0.10 -0.79 105.19 112.44 3hyr n GLY 25 Ca 0.01 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3hyr n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hyr n SER 26 N 2.87 1.14 -3.81 1.61 3.41 -1.26 -4.55 113.62 113.02 3hyr n SER 26 Ca 0.00 -1.32 -0.42 0.00 -0.26 0.00 0.00 58.87 56.86 3hyr n SER 26 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3hyr n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hyr n ARG 27 N -0.15 3.48 -3.79 4.33 1.74 0.03 -4.92 116.66 117.38 3hyr n ARG 27 Ca 0.19 -3.29 -0.13 0.00 -0.77 0.00 0.00 57.85 53.86 3hyr n ARG 27 Cb 0.30 -3.00 -0.10 0.00 -1.02 0.00 0.00 32.46 28.64 3hyr n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3hyr s GLN 28 N 1.01 0.43 -0.08 5.56 -2.07 -1.26 -0.93 119.66 122.31 3hyr s GLN 28 Ca 0.42 0.09 0.03 0.00 -1.82 0.00 0.00 55.36 54.08 3hyr s GLN 28 Cb 0.11 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 3hyr s GLN 28 CO -0.02 -0.09 -0.16 1.03 -1.32 0.00 0.00 175.29 174.73 3hyr s ARG 29 N -0.50 2.80 -0.23 9.60 0.52 0.19 -4.98 118.95 126.35 3hyr s ARG 29 Ca -0.06 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.27 3hyr s ARG 29 Cb -0.04 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 3hyr s ARG 29 CO 0.02 0.44 0.35 0.08 0.02 0.00 0.00 175.30 176.20 3hyr s VAL 30 N -0.26 5.22 0.00 3.52 1.01 -1.26 -2.04 120.40 126.60 3hyr s VAL 30 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3hyr s VAL 30 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3hyr s VAL 30 CO 0.03 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3hyr n GLY 31 N 4.19 5.22 3.27 4.51 0.00 0.95 -4.98 105.19 118.35 3hyr n GLY 31 Ca -0.10 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3hyr n GLY 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hyr s ASN 32 N 1.00 -0.43 0.15 1.61 2.47 -1.26 -2.49 114.94 115.99 3hyr s ASN 32 Ca 0.00 0.81 -0.31 0.00 0.42 0.00 0.00 52.86 53.78 3hyr s ASN 32 Cb 0.00 0.78 -0.09 0.00 -1.45 0.00 0.00 41.25 40.49 3hyr s ASN 32 CO 0.00 -0.15 1.43 0.26 -3.72 0.00 0.00 177.10 174.92 3hyr s TRP 33 N 0.56 3.17 -0.17 0.43 0.52 0.12 -4.75 118.94 118.81 3hyr s TRP 33 Ca -0.03 0.90 -0.39 0.00 0.02 0.00 0.00 56.10 56.61 3hyr s TRP 33 Cb -0.04 -3.75 -0.15 0.00 -1.15 0.00 0.00 33.47 28.37 3hyr s TRP 33 CO -0.03 -2.64 1.67 0.00 0.02 0.00 0.00 176.95 175.97 3hyr n ALA 34 N 3.63 -0.22 -0.69 0.98 0.00 -1.26 -1.29 120.51 121.66 3hyr n ALA 34 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3hyr n ALA 34 Cb 0.41 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3hyr n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyr n GLY 35 N 3.85 1.60 3.61 0.00 0.00 -1.26 -4.99 105.19 108.00 3hyr n GLY 35 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 3hyr n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hyr s VAL 36 N -3.69 1.02 -1.98 1.61 -7.23 -0.41 -5.06 120.40 104.67 3hyr s VAL 36 Ca 0.00 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.37 3hyr s VAL 36 Cb 0.00 -2.40 0.46 0.00 0.56 0.00 0.00 36.38 35.00 3hyr s VAL 36 CO 0.00 0.00 1.39 0.35 -0.31 0.00 0.00 175.10 176.53 3hyr n THR 37 N -1.02 0.72 -2.02 5.32 -2.24 -1.26 -4.39 114.28 109.39 3hyr n THR 37 Ca -0.10 -0.86 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 3hyr n THR 37 Cb 0.66 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 3hyr n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hyr s VAL 38 N -1.21 2.84 0.17 2.28 1.01 -1.26 -4.90 120.40 119.33 3hyr s VAL 38 Ca 0.38 0.61 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 3hyr s VAL 38 Cb 0.21 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 3hyr s VAL 38 CO 0.29 0.05 1.42 -0.70 0.00 0.00 0.00 175.10 176.16 3hyr s GLU 39 N 0.98 4.30 -0.28 2.72 2.12 -1.26 -0.70 118.70 126.57 3hyr s GLU 39 Ca 0.67 2.18 -0.01 0.00 0.36 0.00 0.00 54.97 58.18 3hyr s GLU 39 Cb -0.41 -3.19 0.05 0.00 0.26 0.00 0.00 34.13 30.84 3hyr s GLU 39 CO 0.32 -0.44 -0.03 0.50 -0.54 0.00 0.00 175.26 175.07 3hyr s ARG 40 N 0.55 2.48 -0.02 4.30 3.52 -1.04 -4.74 118.95 124.01 3hyr s ARG 40 Ca 0.63 -1.22 -0.19 0.00 -0.13 0.00 0.00 55.73 54.82 3hyr s ARG 40 Cb -0.39 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 3hyr s ARG 40 CO 0.35 -0.56 0.55 0.15 -0.81 0.00 0.00 175.30 174.98 3hyr s LYS 41 N 1.24 4.27 0.14 5.12 1.02 -1.26 -0.03 119.74 130.24 3hyr s LYS 41 Ca -0.05 0.65 0.07 0.00 0.02 0.00 0.00 55.97 56.67 3hyr s LYS 41 Cb -0.19 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 3hyr s LYS 41 CO -0.02 0.38 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.41 3hyr s GLU 42 N -0.20 1.16 0.22 1.68 2.02 -0.86 -1.59 118.70 121.13 3hyr s GLU 42 Ca 0.29 -1.33 -0.19 0.00 0.02 0.00 0.00 54.97 53.76 3hyr s GLU 42 Cb -0.18 -1.15 0.03 0.00 0.10 0.00 0.00 34.13 32.94 3hyr s GLU 42 CO 0.16 0.23 0.60 0.20 0.02 0.00 0.00 175.26 176.47 3hyr s GLY 43 N -2.55 -0.14 -0.06 -1.39 0.00 -0.46 -0.64 107.32 102.08 3hyr s GLY 43 Ca 0.12 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.71 3hyr s GLY 43 CO 0.05 -0.15 -0.15 1.20 0.00 0.00 0.00 173.10 174.05 3hyr s GLN 44 N -3.88 1.81 0.15 2.90 -1.52 -0.11 -0.75 119.66 118.26 3hyr s GLN 44 Ca 0.09 -0.54 -0.02 0.00 -1.95 0.00 0.00 55.36 52.95 3hyr s GLN 44 Cb -0.03 -1.52 -0.04 0.00 -0.22 0.00 0.00 33.01 31.21 3hyr s GLN 44 CO -0.00 0.14 0.10 -0.59 -0.25 0.00 0.00 175.29 174.69 3hyr s PHE 45 N 0.32 0.85 0.26 0.91 -0.12 -0.63 -4.50 117.98 115.08 3hyr s PHE 45 Ca -0.09 -1.20 0.11 0.00 -0.05 0.00 0.00 56.93 55.69 3hyr s PHE 45 Cb -0.14 -0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 41.77 3hyr s PHE 45 CO 0.03 -0.57 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.97 3hyr s SER 46 N -3.06 3.96 0.00 1.98 1.04 -1.26 -0.27 113.70 116.09 3hyr s SER 46 Ca 0.26 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3hyr s SER 46 Cb 0.07 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.67 3hyr s SER 46 CO 0.03 0.04 0.00 0.41 0.98 0.00 0.00 173.24 174.70 3hyr n THR 47 N -0.60 0.00 -0.15 2.02 -1.04 0.78 -4.95 114.28 110.33 3hyr n THR 47 Ca -0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.84 3hyr n THR 47 Cb 0.59 -0.04 0.02 0.00 -1.82 0.00 0.00 70.33 69.08 3hyr n THR 47 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3hyr h THR 48 N 0.51 1.27 -0.00 12.58 2.02 -2.00 -3.32 112.91 123.96 3hyr h THR 48 Ca 0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3hyr h THR 48 Cb 0.00 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3hyr h THR 48 CO 0.00 0.47 -0.31 0.47 0.37 0.00 0.00 175.52 176.53 3hyr n ASP 49 N -4.11 0.98 -4.07 4.18 8.00 -1.26 -5.06 116.55 115.21 3hyr n ASP 49 Ca 0.00 -0.99 -0.11 0.00 0.71 0.00 0.00 54.79 54.40 3hyr n ASP 49 Cb 0.46 0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 42.10 3hyr n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3hyr s HIS 50 N -1.59 0.61 -0.21 1.24 3.76 -1.25 -2.11 115.29 115.75 3hyr s HIS 50 Ca 0.07 -0.67 -0.05 0.00 -0.15 0.00 0.00 55.06 54.26 3hyr s HIS 50 Cb 0.08 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 3hyr s HIS 50 CO 0.32 -0.16 -0.01 -1.14 -0.85 0.00 0.00 174.74 172.89 3hyr s GLN 51 N -2.37 3.54 -0.16 1.40 2.00 0.57 -0.16 119.66 124.48 3hyr s GLN 51 Ca -0.04 -0.56 -0.01 0.00 -2.00 0.00 0.00 55.36 52.75 3hyr s GLN 51 Cb -0.04 -3.05 -0.01 0.00 0.80 0.00 0.00 33.01 30.71 3hyr s GLN 51 CO -0.02 -0.05 -0.11 0.08 -0.50 0.00 0.00 175.29 174.68 3hyr s VAL 52 N 1.14 3.06 -0.33 1.34 1.01 0.63 -1.89 120.40 125.36 3hyr s VAL 52 Ca 0.02 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 3hyr s VAL 52 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3hyr s VAL 52 CO 0.01 0.50 0.37 -0.89 0.00 0.00 0.00 175.10 175.08 3hyr s THR 53 N 0.72 5.16 -0.23 3.92 2.01 -0.79 -1.61 115.64 124.84 3hyr s THR 53 Ca -0.05 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.03 3hyr s THR 53 Cb -0.15 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3hyr s THR 53 CO 0.02 -0.05 0.07 -0.22 -0.69 0.00 0.00 174.62 173.75 3hyr s LEU 54 N 2.04 3.57 -0.33 4.42 2.96 0.07 -0.96 118.68 130.45 3hyr s LEU 54 Ca 0.13 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 3hyr s LEU 54 Cb -0.16 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.63 3hyr s LEU 54 CO 0.11 0.03 0.07 -0.69 -1.32 0.00 0.00 176.35 174.56 3hyr s VAL 55 N 1.21 3.54 -0.14 1.68 1.01 0.11 -1.35 120.40 126.46 3hyr s VAL 55 Ca 0.05 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 3hyr s VAL 55 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3hyr s VAL 55 CO 0.03 -0.15 1.56 -0.62 0.00 0.00 0.00 175.10 175.92 3hyr s ASP 56 N 1.36 6.61 0.19 3.32 2.15 -0.62 -1.18 116.67 128.50 3hyr s ASP 56 Ca -0.03 1.89 -0.09 0.00 0.43 0.00 0.00 52.55 54.76 3hyr s ASP 56 Cb -0.20 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 39.82 3hyr s ASP 56 CO 0.02 -1.02 0.49 -0.76 -0.17 0.00 0.00 175.17 173.72 3hyr s LEU 57 N 4.38 4.22 0.28 -1.34 1.43 -0.52 -4.42 118.68 122.71 3hyr s LEU 57 Ca 0.69 0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.31 3hyr s LEU 57 Cb -0.28 -3.48 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 3hyr s LEU 57 CO 0.26 -0.00 1.54 -2.65 0.23 0.00 0.00 176.35 175.73 3hyr n PRO 58 N 0.09 2.53 -1.46 1.29 -0.02 -1.26 -4.81 135.00 131.36 3hyr n PRO 58 Ca -0.01 0.90 -0.44 0.00 -2.02 0.00 0.00 63.50 61.92 3hyr n PRO 58 Cb 0.52 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 3hyr n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hyr n GLY 59 N 2.09 -1.36 3.52 -1.23 0.00 -1.26 -4.73 105.19 102.22 3hyr n GLY 59 Ca 0.09 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 3hyr n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hyr s THR 60 N -1.25 0.00 -0.48 2.61 -1.32 -0.79 -4.48 115.64 109.93 3hyr s THR 60 Ca 0.62 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.32 3hyr s THR 60 Cb -0.72 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.11 3hyr s THR 60 CO 0.58 0.00 0.89 -1.22 -2.21 0.00 0.00 174.62 172.67 3hyr n TYR 61 N 0.80 0.26 -3.58 9.09 4.02 -1.26 -3.29 117.16 123.20 3hyr n TYR 61 Ca -0.18 0.08 -0.16 0.00 -0.01 0.00 0.00 57.90 57.63 3hyr n TYR 61 Cb 0.58 -0.47 -0.06 0.00 -0.02 0.00 0.00 39.34 39.37 3hyr n TYR 61 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hyr s SER 62 N -4.13 -0.68 0.12 7.72 0.15 -1.26 -3.68 113.70 111.94 3hyr s SER 62 Ca 0.01 1.04 0.08 0.00 0.70 0.00 0.00 55.95 57.78 3hyr s SER 62 Cb 0.14 0.96 -0.19 0.00 -1.71 0.00 0.00 66.02 65.21 3hyr s SER 62 CO 0.83 -0.42 1.23 -0.07 1.20 0.00 0.00 173.24 176.01 3hyr h LEU 63 N 3.92 0.00 -2.92 3.45 3.38 -1.92 -3.48 115.31 117.75 3hyr h LEU 63 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hyr h LEU 63 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3hyr h LEU 63 CO 0.22 0.96 0.00 0.41 0.09 0.00 0.00 178.44 180.12 3hyr n THR 64 N -3.31 0.50 -0.07 0.22 -1.04 -1.26 -4.81 114.28 104.52 3hyr n THR 64 Ca -0.02 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3hyr n THR 64 Cb 0.94 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hyr n THR 64 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hyr n SER 71 N 1.39 0.00 -0.02 8.00 3.41 -1.26 -5.07 113.62 120.06 3hyr n SER 71 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3hyr n SER 71 Cb 0.16 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3hyr n SER 71 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hyr h LEU 72 N -0.13 -0.48 -0.23 1.04 3.38 -2.03 -3.14 115.31 113.72 3hyr h LEU 72 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3hyr h LEU 72 Cb 0.04 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3hyr h LEU 72 CO 0.00 -0.19 -0.29 0.44 0.09 0.00 0.00 178.44 178.49 3hyr h ASP 73 N -0.17 -0.96 -0.98 -0.43 3.45 -1.97 -1.28 116.42 114.08 3hyr h ASP 73 Ca 0.11 0.13 0.34 0.00 0.43 0.00 0.00 57.03 58.04 3hyr h ASP 73 Cb 0.33 0.40 -0.17 0.00 -0.56 0.00 0.00 39.33 39.33 3hyr h ASP 73 CO -0.27 -0.20 0.43 -0.08 -1.57 0.00 0.00 179.24 177.55 3hyr h GLU 74 N -0.19 0.12 -0.08 3.56 4.81 -1.77 -0.31 114.58 120.73 3hyr h GLU 74 Ca 0.04 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 3hyr h GLU 74 Cb 0.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3hyr h GLU 74 CO -0.31 0.08 -0.58 1.96 -0.73 0.00 0.00 179.01 179.42 3hyr h GLN 75 N 0.13 0.25 0.21 1.92 4.20 -1.22 -2.81 115.11 117.79 3hyr h GLN 75 Ca 0.74 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 59.27 3hyr h GLN 75 Cb 1.77 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.57 3hyr h GLN 75 CO -0.73 0.76 -0.10 0.82 -0.67 0.00 0.00 178.83 178.91 3hyr h ILE 76 N 0.19 0.88 -0.66 2.54 2.04 -0.44 -1.29 117.51 120.76 3hyr h ILE 76 Ca -0.00 -0.61 0.13 0.00 1.00 0.00 0.00 64.86 65.38 3hyr h ILE 76 Cb 1.08 1.23 -0.13 0.00 -0.74 0.00 0.00 36.82 38.27 3hyr h ILE 76 CO 0.09 0.13 -0.19 0.00 0.00 0.00 0.00 178.15 178.18 3hyr h ALA 77 N 0.11 0.38 -0.51 1.87 0.00 -1.46 -0.67 119.26 118.98 3hyr h ALA 77 Ca -0.03 0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3hyr h ALA 77 Cb 0.43 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hyr h ALA 77 CO 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 3hyr h HIS 79 N 0.80 0.67 -0.08 0.00 6.17 -0.64 -1.22 115.15 120.84 3hyr h HIS 79 Ca 0.14 -0.09 0.01 0.00 0.71 0.00 0.00 60.37 61.14 3hyr h HIS 79 Cb 0.59 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 3hyr h HIS 79 CO 0.04 0.66 0.00 -0.92 0.71 0.00 0.00 177.93 178.42 3hyr h TYR 80 N 0.49 0.00 -0.99 5.26 3.20 -1.07 -0.03 116.97 123.83 3hyr h TYR 80 Ca 0.12 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.13 3hyr h TYR 80 Cb 0.33 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 3hyr h TYR 80 CO 0.02 -0.00 0.62 0.82 -1.64 0.00 0.00 178.16 177.98 3hyr h ILE 81 N 0.03 0.87 0.00 1.81 1.08 -0.96 -2.25 117.51 118.10 3hyr h ILE 81 Ca 0.04 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3hyr h ILE 81 Cb 0.04 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 33.67 3hyr h ILE 81 CO -0.06 0.17 -0.63 0.25 -0.69 0.00 0.00 178.15 177.19 3hyr h LEU 82 N 0.91 0.00 -1.25 1.44 5.85 -0.98 -3.29 115.31 117.98 3hyr h LEU 82 Ca 0.51 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 3hyr h LEU 82 Cb 0.60 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3hyr h LEU 82 CO -0.28 0.02 -0.01 -1.28 -0.34 0.00 0.00 178.44 176.55 3hyr h SER 83 N 0.00 0.00 0.00 1.25 0.87 -0.36 -3.47 113.55 111.84 3hyr h SER 83 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hyr h SER 83 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3hyr h SER 83 CO 0.00 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 3hyr n GLY 84 N 0.18 0.72 0.37 5.77 0.00 -1.22 -4.91 105.19 106.10 3hyr n GLY 84 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3hyr n GLY 84 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3hyr h ASP 85 N 0.00 0.68 -3.61 1.61 3.58 -1.89 -3.42 116.42 113.37 3hyr h ASP 85 Ca 0.00 0.07 -0.51 0.00 0.42 0.00 0.00 57.03 57.00 3hyr h ASP 85 Cb 0.05 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3hyr h ASP 85 CO 0.00 0.28 0.26 0.00 -2.88 0.00 0.00 179.24 176.90 3hyr s ALA 86 N -5.72 3.39 0.14 -0.78 0.00 -1.26 -4.82 121.76 112.70 3hyr s ALA 86 Ca -0.10 0.48 0.11 0.00 0.00 0.00 0.00 51.96 52.45 3hyr s ALA 86 Cb 0.24 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 20.45 3hyr s ALA 86 CO 0.80 0.22 1.50 -0.44 0.00 0.00 0.00 175.76 177.84 3hyr h ASP 87 N 4.43 0.00 -5.02 0.00 3.32 -0.83 -3.48 116.42 114.85 3hyr h ASP 87 Ca -0.46 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 3hyr h ASP 87 Cb 1.20 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.60 3hyr h ASP 87 CO 0.68 0.68 0.07 -0.22 -1.72 0.00 0.00 179.24 178.73 3hyr s LEU 88 N -7.04 -0.16 0.01 1.55 2.96 -1.20 -4.53 118.68 110.27 3hyr s LEU 88 Ca 0.01 0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 3hyr s LEU 88 Cb 0.11 2.22 -0.02 0.00 0.50 0.00 0.00 46.19 48.99 3hyr s LEU 88 CO 0.77 -0.77 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.01 3hyr s LEU 89 N -2.16 2.10 -0.27 -0.68 1.43 -0.11 -2.05 118.68 116.95 3hyr s LEU 89 Ca -0.04 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 3hyr s LEU 89 Cb -0.00 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 3hyr s LEU 89 CO -0.04 0.27 0.09 -0.63 0.23 0.00 0.00 176.35 176.27 3hyr s ILE 90 N -0.68 4.37 -0.38 -0.59 1.01 0.38 -1.35 121.20 123.95 3hyr s ILE 90 Ca 0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 3hyr s ILE 90 Cb -0.10 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.28 3hyr s ILE 90 CO 0.00 0.24 0.24 0.21 0.00 0.00 0.00 174.94 175.64 3hyr s ASN 91 N 1.61 5.87 -0.32 3.58 2.47 0.23 -1.07 114.94 127.30 3hyr s ASN 91 Ca 0.06 -0.92 -0.22 0.00 0.42 0.00 0.00 52.86 52.19 3hyr s ASN 91 Cb -0.16 -2.07 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 3hyr s ASN 91 CO 0.04 -0.39 0.74 0.54 -3.72 0.00 0.00 177.10 174.31 3hyr s VAL 92 N 1.61 4.82 -0.12 -5.21 0.11 0.04 -0.69 120.40 120.96 3hyr s VAL 92 Ca 0.03 1.00 0.01 0.00 -2.93 0.00 0.00 61.98 60.08 3hyr s VAL 92 Cb -0.19 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.52 3hyr s VAL 92 CO 0.08 -0.27 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.75 3hyr s VAL 93 N 2.89 3.00 -0.46 2.04 1.01 -0.25 -4.34 120.40 124.29 3hyr s VAL 93 Ca 0.30 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3hyr s VAL 93 Cb -0.14 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.02 3hyr s VAL 93 CO 0.13 0.54 1.26 -0.62 0.00 0.00 0.00 175.10 176.41 3hyr s ASP 94 N 0.20 6.50 0.57 3.32 3.68 -1.26 0.34 116.67 130.02 3hyr s ASP 94 Ca -0.08 0.60 0.33 0.00 2.13 0.00 0.00 52.55 55.53 3hyr s ASP 94 Cb -0.15 -2.55 1.75 0.00 -1.45 0.00 0.00 42.92 40.52 3hyr s ASP 94 CO 0.05 -1.34 2.16 0.00 0.13 0.00 0.00 175.17 176.17 3hyr h ALA 95 N 9.88 1.19 -0.03 3.66 0.00 -1.59 -1.00 119.26 131.38 3hyr h ALA 95 Ca -0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hyr h ALA 95 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hyr h ALA 95 CO 1.11 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 179.30 3hyr n SER 96 N -3.43 1.15 -2.71 0.00 3.41 -1.26 -3.90 113.62 106.87 3hyr n SER 96 Ca -0.02 -1.41 -0.10 0.00 -0.26 0.00 0.00 58.87 57.09 3hyr n SER 96 Cb 0.19 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 3hyr n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hyr n ASN 97 N -0.09 0.84 0.17 4.04 3.02 -0.39 -4.98 115.26 117.87 3hyr n ASN 97 Ca 0.20 -2.72 -0.14 0.00 -0.03 0.00 0.00 54.58 51.89 3hyr n ASN 97 Cb 0.29 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 3hyr n ASN 97 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hyr h LEU 98 N 2.86 -0.59 0.07 3.41 5.85 -1.64 -1.87 115.31 123.40 3hyr h LEU 98 Ca -0.11 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3hyr h LEU 98 Cb 1.18 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3hyr h LEU 98 CO 0.41 -0.34 -0.11 -0.08 -0.34 0.00 0.00 178.44 177.99 3hyr h GLU 99 N -0.50 -0.21 -0.78 1.25 4.81 -1.93 0.69 114.58 117.91 3hyr h GLU 99 Ca -0.01 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3hyr h GLU 99 Cb 0.45 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 3hyr h GLU 99 CO -0.03 -0.14 0.46 -0.09 -0.73 0.00 0.00 179.01 178.48 3hyr h ARG 100 N -0.22 0.80 0.00 1.92 2.43 -1.95 -2.99 114.38 114.37 3hyr h ARG 100 Ca 0.02 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3hyr h ARG 100 Cb 0.23 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3hyr h ARG 100 CO -0.06 0.53 -0.52 -0.91 -1.51 0.00 0.00 179.97 177.50 3hyr h ASN 101 N 0.82 0.00 1.21 -3.80 -0.26 -0.43 -3.24 115.58 109.87 3hyr h ASN 101 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 3hyr h ASN 101 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3hyr h ASN 101 CO -0.19 0.52 0.00 0.18 -1.06 0.00 0.00 177.43 176.88 3hyr n LEU 102 N -3.92 0.77 -0.21 1.61 4.77 0.14 -2.82 117.00 117.34 3hyr n LEU 102 Ca -0.01 0.61 -0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3hyr n LEU 102 Cb 0.53 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 3hyr n LEU 102 CO 0.41 -0.32 1.02 0.22 -1.33 0.00 0.00 177.39 177.38 3hyr h TYR 103 N 0.00 0.48 -0.45 -1.77 3.20 -1.59 0.43 116.97 117.27 3hyr h TYR 103 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3hyr h TYR 103 Cb 0.61 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3hyr h TYR 103 CO 0.00 0.16 -0.03 1.25 -1.64 0.00 0.00 178.16 177.90 3hyr h LEU 104 N 0.49 0.82 -0.57 2.82 5.85 -1.60 -3.21 115.31 119.91 3hyr h LEU 104 Ca 0.31 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3hyr h LEU 104 Cb 0.33 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3hyr h LEU 104 CO -0.27 0.95 0.32 0.74 -0.34 0.00 0.00 178.44 179.84 3hyr h THR 105 N 0.67 1.01 -0.96 1.05 2.02 -1.51 -2.18 112.91 113.00 3hyr h THR 105 Ca 0.12 -0.21 0.09 0.00 0.77 0.00 0.00 66.41 67.18 3hyr h THR 105 Cb 0.55 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 3hyr h THR 105 CO 0.03 0.11 0.62 0.25 0.37 0.00 0.00 175.52 176.90 3hyr h LEU 106 N 0.62 0.93 -0.41 2.58 5.85 -0.96 -1.21 115.31 122.72 3hyr h LEU 106 Ca 0.24 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 3hyr h LEU 106 Cb 0.09 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3hyr h LEU 106 CO -0.14 0.56 -0.12 1.56 -0.34 0.00 0.00 178.44 179.96 3hyr h GLN 107 N 1.03 0.80 -0.29 1.25 4.20 -1.40 0.11 115.11 120.80 3hyr h GLN 107 Ca 0.43 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3hyr h GLN 107 Cb 0.31 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3hyr h GLN 107 CO -0.19 0.93 0.12 -0.07 -0.67 0.00 0.00 178.83 178.95 3hyr h LEU 108 N 0.61 0.15 -0.54 1.46 3.38 -1.18 0.16 115.31 119.36 3hyr h LEU 108 Ca 0.10 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3hyr h LEU 108 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3hyr h LEU 108 CO 0.04 0.12 0.07 -0.07 0.09 0.00 0.00 178.44 178.70 3hyr h LEU 109 N 0.26 0.87 -0.84 1.67 3.38 -1.06 -1.06 115.31 118.53 3hyr h LEU 109 Ca 0.13 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3hyr h LEU 109 Cb 0.08 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hyr h LEU 109 CO -0.11 0.92 0.55 -0.33 0.09 0.00 0.00 178.44 179.56 3hyr h GLU 110 N 0.79 1.05 0.00 1.13 5.08 -0.54 -0.88 114.58 121.21 3hyr h GLU 110 Ca 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3hyr h GLU 110 Cb 0.43 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hyr h GLU 110 CO 0.01 0.70 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.61 3hyr h LEU 111 N 1.09 0.00 0.00 1.33 3.38 -0.04 -3.45 115.31 117.61 3hyr h LEU 111 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3hyr h LEU 111 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hyr h LEU 111 CO -0.10 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.08 3hyr n GLY 112 N -0.83 0.57 3.72 0.83 0.00 -0.34 -4.49 105.19 104.66 3hyr n GLY 112 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3hyr n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hyr s ILE 113 N -2.00 4.67 0.12 -0.61 1.01 -1.15 -4.80 121.20 118.44 3hyr s ILE 113 Ca 0.00 2.05 -0.35 0.00 0.00 0.00 0.00 60.65 62.35 3hyr s ILE 113 Cb 0.00 -4.31 -0.17 0.00 0.01 0.00 0.00 42.46 37.99 3hyr s ILE 113 CO 0.00 0.23 1.17 -2.65 0.00 0.00 0.00 174.94 173.69 3hyr n PRO 114 N 3.36 0.91 -4.05 2.79 -0.02 -1.26 -4.79 135.00 131.95 3hyr n PRO 114 Ca 0.04 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.72 3hyr n PRO 114 Cb 0.50 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 32.01 3hyr n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hyr s ILE 116 N -0.66 0.64 -0.28 0.00 1.01 -0.46 -4.12 121.20 117.33 3hyr s ILE 116 Ca -0.05 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 3hyr s ILE 116 Cb -0.05 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 3hyr s ILE 116 CO -0.00 0.26 0.48 -0.69 0.00 0.00 0.00 174.94 174.99 3hyr s VAL 117 N 1.09 5.09 -0.45 2.92 1.01 -0.80 -0.60 120.40 128.65 3hyr s VAL 117 Ca -0.08 0.72 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 3hyr s VAL 117 Cb -0.14 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.48 3hyr s VAL 117 CO -0.01 0.06 0.36 0.00 0.00 0.00 0.00 175.10 175.51 3hyr s ALA 118 N 2.26 3.52 -0.42 5.51 0.00 0.13 -0.05 121.76 132.72 3hyr s ALA 118 Ca 0.19 -2.01 -0.28 0.00 0.00 0.00 0.00 51.96 49.86 3hyr s ALA 118 Cb -0.16 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 19.99 3hyr s ALA 118 CO 0.10 -1.65 1.08 -0.51 0.00 0.00 0.00 175.76 174.78 3hyr s LEU 119 N 1.64 3.80 -0.54 0.00 1.43 -0.07 -1.09 118.68 123.83 3hyr s LEU 119 Ca 0.04 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 53.63 3hyr s LEU 119 Cb -0.23 -3.49 0.13 0.00 0.03 0.00 0.00 46.19 42.64 3hyr s LEU 119 CO 0.07 -1.08 0.48 0.21 0.23 0.00 0.00 176.35 176.27 3hyr s ASN 120 N 2.13 6.12 0.00 2.29 2.47 0.15 -0.40 114.94 127.70 3hyr s ASN 120 Ca 0.45 -1.86 0.00 0.00 0.42 0.00 0.00 52.86 51.87 3hyr s ASN 120 Cb -0.09 -2.17 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 3hyr s ASN 120 CO 0.25 -0.81 0.00 0.18 -3.72 0.00 0.00 177.10 173.00 3hyr n LEU 122 N 5.11 0.00 0.13 3.21 7.99 -1.26 -1.43 117.00 130.75 3hyr n LEU 122 Ca -0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.87 3hyr n LEU 122 Cb 0.40 0.00 0.20 0.00 -0.11 0.00 0.00 43.42 43.92 3hyr n LEU 122 CO 0.51 0.00 0.55 0.44 -1.51 0.00 0.00 177.39 177.38 3hyr h ASP 123 N 0.00 0.08 -0.11 -1.43 3.32 -1.98 0.51 116.42 116.80 3hyr h ASP 123 Ca 0.00 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 3hyr h ASP 123 Cb 0.00 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.53 3hyr h ASP 123 CO 0.00 0.61 -0.50 0.40 -1.72 0.00 0.00 179.24 178.03 3hyr h ILE 124 N 0.05 1.36 0.78 0.35 5.03 -1.99 -2.71 117.51 120.39 3hyr h ILE 124 Ca -0.00 -1.81 -0.04 0.00 -0.12 0.00 0.00 64.86 62.89 3hyr h ILE 124 Cb 0.98 2.17 0.01 0.00 -3.03 0.00 0.00 36.82 36.95 3hyr h ILE 124 CO 0.07 0.55 -0.39 0.00 -0.68 0.00 0.00 178.15 177.70 3hyr h ALA 125 N 0.48 -1.08 -0.86 1.87 0.00 -1.72 -2.69 119.26 115.26 3hyr h ALA 125 Ca -0.03 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 54.87 3hyr h ALA 125 Cb 1.14 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 3hyr h ALA 125 CO 0.10 -1.11 0.20 1.05 0.00 0.00 0.00 179.25 179.49 3hyr h GLU 126 N -1.07 0.19 -0.60 0.00 4.11 -0.07 0.16 114.58 117.30 3hyr h GLU 126 Ca -0.11 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.36 3hyr h GLU 126 Cb 0.83 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3hyr h GLU 126 CO 0.17 0.12 0.39 0.87 0.07 0.00 0.00 179.01 180.63 3hyr h LYS 127 N 0.19 0.61 -0.68 1.06 1.79 -1.20 -2.28 116.57 116.06 3hyr h LYS 127 Ca 0.53 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.76 3hyr h LYS 127 Cb 1.05 -0.14 -0.12 0.00 -1.58 0.00 0.00 32.23 31.44 3hyr h LYS 127 CO -0.66 0.40 0.24 0.00 -1.08 0.00 0.00 179.45 178.35 3hyr n GLN 128 N -4.47 3.54 -2.47 3.15 10.64 0.51 -4.94 117.38 123.34 3hyr n GLN 128 Ca 0.08 -3.08 -0.20 0.00 -1.83 0.00 0.00 57.00 51.97 3hyr n GLN 128 Cb 0.19 -2.17 -0.00 0.00 -0.86 0.00 0.00 30.24 27.40 3hyr n GLN 128 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hyr n ASN 129 N -0.26 -5.62 -4.57 2.61 5.03 -0.86 -4.99 115.26 106.60 3hyr n ASN 129 Ca 0.39 -0.06 -0.39 0.00 0.87 0.00 0.00 54.58 55.39 3hyr n ASN 129 Cb 1.34 -4.62 -0.11 0.00 -1.02 0.00 0.00 39.78 35.37 3hyr n ASN 129 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hyr s ILE 130 N -3.00 5.29 -0.02 2.41 1.01 -0.96 -5.02 121.20 120.90 3hyr s ILE 130 Ca 0.05 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3hyr s ILE 130 Cb -0.02 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3hyr s ILE 130 CO 0.06 0.13 -0.10 -0.13 0.00 0.00 0.00 174.94 174.90 3hyr s ARG 131 N 1.78 2.54 -0.16 2.79 1.81 -1.26 -3.66 118.95 122.79 3hyr s ARG 131 Ca 0.07 -0.69 -0.00 0.00 -1.72 0.00 0.00 55.73 53.39 3hyr s ARG 131 Cb -0.17 -2.46 -0.00 0.00 -0.45 0.00 0.00 34.95 31.87 3hyr s ARG 131 CO 0.11 0.62 -0.14 0.42 -0.68 0.00 0.00 175.30 175.63 3hyr s ILE 132 N -0.88 2.73 -0.77 1.52 -1.09 -1.26 -4.23 121.20 117.22 3hyr s ILE 132 Ca 0.14 -0.74 -0.26 0.00 -2.23 0.00 0.00 60.65 57.56 3hyr s ILE 132 Cb -0.11 -2.16 0.03 0.00 -1.58 0.00 0.00 42.46 38.63 3hyr s ILE 132 CO 0.04 0.51 1.38 -0.70 -1.23 0.00 0.00 174.94 174.94 3hyr s GLU 133 N 0.92 3.17 0.06 2.79 2.56 0.22 -4.89 118.70 123.53 3hyr s GLU 133 Ca -0.03 -0.26 -0.23 0.00 0.00 0.00 0.00 54.97 54.45 3hyr s GLU 133 Cb -0.15 -4.38 -0.16 0.00 2.00 0.00 0.00 34.13 31.45 3hyr s GLU 133 CO -0.02 -2.25 1.60 0.82 -0.56 0.00 0.00 175.26 174.86 3hyr h ILE 134 N 6.25 1.12 -0.18 -3.70 5.03 -1.97 -1.67 117.51 122.40 3hyr h ILE 134 Ca -0.21 -0.37 -0.10 0.00 -0.12 0.00 0.00 64.86 64.06 3hyr h ILE 134 Cb 1.06 1.33 -0.01 0.00 -3.03 0.00 0.00 36.82 36.16 3hyr h ILE 134 CO 1.29 0.10 -0.33 0.44 -0.68 0.00 0.00 178.15 178.97 3hyr h ASP 135 N -0.11 0.37 -0.50 1.72 5.19 -1.93 -0.78 116.42 120.37 3hyr h ASP 135 Ca 0.01 -0.14 -0.12 0.00 -0.62 0.00 0.00 57.03 56.16 3hyr h ASP 135 Cb 0.15 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 3hyr h ASP 135 CO -0.00 0.69 -0.14 0.00 -3.12 0.00 0.00 179.24 176.66 3hyr h ALA 136 N 1.34 0.70 -0.17 3.45 0.00 -1.93 0.16 119.26 122.81 3hyr h ALA 136 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hyr h ALA 136 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hyr h ALA 136 CO 0.06 0.63 0.04 1.25 0.00 0.00 0.00 179.25 181.23 3hyr h LEU 137 N 0.85 0.26 -1.04 0.00 5.85 -1.14 -2.55 115.31 117.54 3hyr h LEU 137 Ca 0.13 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hyr h LEU 137 Cb 0.71 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3hyr h LEU 137 CO 0.05 0.42 0.57 -1.28 -0.34 0.00 0.00 178.44 177.87 3hyr h SER 138 N 0.09 1.08 -0.74 1.25 0.87 -0.93 -0.64 113.55 114.53 3hyr h SER 138 Ca 0.05 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3hyr h SER 138 Cb 0.26 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3hyr h SER 138 CO 0.00 0.81 0.23 0.00 -0.53 0.00 0.00 176.83 177.34 3hyr h ALA 139 N 1.38 0.97 0.01 6.23 0.00 -0.59 -0.80 119.26 126.45 3hyr h ALA 139 Ca 0.33 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3hyr h ALA 139 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3hyr h ALA 139 CO -0.07 0.66 -0.88 0.00 0.00 0.00 0.00 179.25 178.96 3hyr h ARG 140 N 1.10 0.08 0.05 0.00 3.08 -1.01 -3.23 114.38 114.45 3hyr h ARG 140 Ca 0.24 -0.10 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 3hyr h ARG 140 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3hyr h ARG 140 CO -0.01 0.91 -1.04 -0.07 -1.07 0.00 0.00 179.97 178.69 3hyr h LEU 141 N 0.04 0.32 0.11 3.04 3.38 -1.04 -3.47 115.31 117.70 3hyr h LEU 141 Ca -0.03 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3hyr h LEU 141 Cb 1.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 3hyr h LEU 141 CO 0.12 1.17 -0.04 0.61 0.09 0.00 0.00 178.44 180.40 3hyr n GLY 142 N 1.20 0.51 3.15 0.83 0.00 -0.31 -4.83 105.19 105.73 3hyr n GLY 142 Ca -0.05 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3hyr n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hyr s PRO 144 N -3.90 3.06 -0.16 0.00 0.02 -1.26 -4.57 135.00 128.19 3hyr s PRO 144 Ca 0.07 1.58 0.01 0.00 0.02 0.00 0.00 61.00 62.67 3hyr s PRO 144 Cb 0.06 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.64 3hyr s PRO 144 CO -0.10 -1.08 -0.14 0.08 -0.33 0.00 0.00 177.00 175.43 3hyr s VAL 145 N -1.93 1.65 -0.26 3.83 1.01 -1.26 -1.91 120.40 121.52 3hyr s VAL 145 Ca 0.72 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3hyr s VAL 145 Cb -0.24 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.60 3hyr s VAL 145 CO 0.33 0.40 -0.07 -0.63 0.00 0.00 0.00 175.10 175.14 3hyr s ILE 146 N 1.44 2.60 -0.09 2.22 -1.09 0.93 -4.96 121.20 122.25 3hyr s ILE 146 Ca 0.04 -1.35 -0.29 0.00 -2.23 0.00 0.00 60.65 56.81 3hyr s ILE 146 Cb -0.14 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 3hyr s ILE 146 CO -0.10 0.04 1.74 -2.16 -1.23 0.00 0.00 174.94 173.23 3hyr s PRO 147 N 1.22 4.00 -1.31 2.79 0.04 -1.26 -0.89 135.00 139.58 3hyr s PRO 147 Ca -0.05 2.13 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 3hyr s PRO 147 Cb -0.19 -4.06 0.09 0.00 0.04 0.00 0.00 34.50 30.39 3hyr s PRO 147 CO -0.04 -1.07 1.79 1.28 0.04 0.00 0.00 177.00 179.00 3hyr n LEU 148 N 7.87 5.51 -4.69 -3.56 4.77 0.46 -4.48 117.00 122.87 3hyr n LEU 148 Ca 0.19 -4.13 -0.42 0.00 -0.03 0.00 0.00 56.01 51.62 3hyr n LEU 148 Cb 0.43 -1.68 -0.03 0.00 -2.33 0.00 0.00 43.42 39.81 3hyr n LEU 148 CO 0.64 0.55 1.46 -0.69 -1.33 0.00 0.00 177.39 178.02 3hyr s VAL 149 N 3.18 2.63 -0.22 4.08 1.01 -1.26 -4.72 120.40 125.11 3hyr s VAL 149 Ca 0.49 0.11 0.17 0.00 0.00 0.00 0.00 61.98 62.75 3hyr s VAL 149 Cb 0.05 -3.07 0.13 0.00 0.00 0.00 0.00 36.38 33.49 3hyr s VAL 149 CO 0.03 -0.00 1.49 0.77 0.00 0.00 0.00 175.10 177.38 3hyr h SER 150 N 8.68 0.00 -2.20 3.32 4.64 -1.96 0.18 113.55 126.20 3hyr h SER 150 Ca -0.46 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.30 3hyr h SER 150 Cb 1.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3hyr h SER 150 CO 0.95 0.38 1.22 0.41 -0.87 0.00 0.00 176.83 178.91 3hyr n THR 151 N -3.20 0.67 -2.39 2.95 -1.04 -1.26 -2.57 114.28 107.45 3hyr n THR 151 Ca 0.02 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.05 61.74 3hyr n THR 151 Cb 0.68 -2.19 -0.01 0.00 -1.82 0.00 0.00 70.33 66.99 3hyr n THR 151 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hyr n ARG 152 N 7.38 -2.09 -1.17 -2.82 1.74 -1.26 -1.88 116.66 116.55 3hyr n ARG 152 Ca 0.22 0.68 -0.06 0.00 -0.77 0.00 0.00 57.85 57.92 3hyr n ARG 152 Cb 0.37 -5.28 -0.03 0.00 -1.02 0.00 0.00 32.46 26.51 3hyr n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hyr n GLY 153 N -0.82 0.77 0.18 -0.13 0.00 -1.06 -4.91 105.19 99.22 3hyr n GLY 153 Ca -0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 3hyr n GLY 153 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hyr h ARG 154 N 0.22 -0.18 -0.74 1.61 3.08 -1.47 -2.12 114.38 114.78 3hyr h ARG 154 Ca -0.12 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.07 3hyr h ARG 154 Cb 0.65 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.61 3hyr h ARG 154 CO 0.18 -0.12 -0.33 0.78 -1.07 0.00 0.00 179.97 179.41 3hyr h GLY 155 N -0.18 0.04 0.85 0.04 0.00 -0.86 -0.59 103.07 102.38 3hyr h GLY 155 Ca 0.08 0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.85 3hyr h GLY 155 CO -0.20 -0.22 -0.04 -2.22 0.00 0.00 0.00 176.54 173.87 3hyr h ILE 156 N -0.09 0.89 -0.80 2.60 1.08 -1.67 0.15 117.51 119.67 3hyr h ILE 156 Ca 0.29 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.84 3hyr h ILE 156 Cb 0.57 0.89 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 3hyr h ILE 156 CO -0.79 0.00 0.46 -0.33 -0.69 0.00 0.00 178.15 176.80 3hyr h GLU 157 N -0.05 0.78 -0.29 2.37 4.39 -0.83 0.23 114.58 121.19 3hyr h GLU 157 Ca 0.03 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 3hyr h GLU 157 Cb 0.09 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3hyr h GLU 157 CO -0.07 0.52 -0.37 0.00 -1.16 0.00 0.00 179.01 177.93 3hyr h ALA 158 N 1.43 0.81 -0.75 3.43 0.00 -0.78 -1.37 119.26 122.04 3hyr h ALA 158 Ca 0.38 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hyr h ALA 158 Cb 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3hyr h ALA 158 CO -0.22 0.65 0.40 1.25 0.00 0.00 0.00 179.25 181.32 3hyr h LEU 159 N 0.55 0.94 -0.58 0.00 5.85 0.32 0.01 115.31 122.40 3hyr h LEU 159 Ca 0.05 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 3hyr h LEU 159 Cb 0.89 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3hyr h LEU 159 CO 0.08 0.78 0.13 0.11 -0.34 0.00 0.00 178.44 179.20 3hyr h LYS 160 N 1.04 0.94 -0.21 1.25 1.57 -0.36 -0.11 116.57 120.68 3hyr h LYS 160 Ca 0.26 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3hyr h LYS 160 Cb 0.05 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3hyr h LYS 160 CO -0.04 0.88 -0.04 1.25 -0.57 0.00 0.00 179.45 180.92 3hyr h LEU 161 N 0.85 -0.17 -0.92 2.94 5.85 -1.03 -2.24 115.31 120.58 3hyr h LEU 161 Ca 0.18 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3hyr h LEU 161 Cb 0.37 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3hyr h LEU 161 CO 0.00 -0.06 0.58 0.00 -0.34 0.00 0.00 178.44 178.63 3hyr h ALA 162 N 1.21 1.28 -0.38 1.25 0.00 -0.49 -1.70 119.26 120.43 3hyr h ALA 162 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hyr h ALA 162 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hyr h ALA 162 CO -0.21 0.33 0.24 0.82 0.00 0.00 0.00 179.25 180.43 3hyr h ILE 163 N 1.05 1.07 0.00 0.00 2.04 -0.82 0.76 117.51 121.61 3hyr h ILE 163 Ca 0.41 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 3hyr h ILE 163 Cb 0.20 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3hyr h ILE 163 CO -0.18 0.09 -0.10 0.44 0.00 0.00 0.00 178.15 178.39 3hyr h ASP 164 N 0.48 0.00 -0.47 1.72 3.32 -0.92 -2.55 116.42 118.01 3hyr h ASP 164 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hyr h ASP 164 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3hyr h ASP 164 CO -0.05 0.10 0.00 0.54 -1.72 0.00 0.00 179.24 178.12 3hyr n ARG 165 N -3.55 2.52 -1.70 3.56 1.74 -0.59 -5.03 116.66 113.61 3hyr n ARG 165 Ca -0.02 -2.29 -0.37 0.00 -0.77 0.00 0.00 57.85 54.40 3hyr n ARG 165 Cb 0.24 -1.46 0.07 0.00 -1.02 0.00 0.00 32.46 30.28 3hyr n ARG 165 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3hyr n TYR 166 N 1.28 1.68 -3.89 -1.55 0.18 0.16 -5.03 117.16 109.99 3hyr n TYR 166 Ca 0.19 0.42 -0.09 0.00 1.88 0.00 0.00 57.90 60.30 3hyr n TYR 166 Cb 0.55 -2.24 -0.02 0.00 -0.38 0.00 0.00 39.34 37.26 3hyr n TYR 166 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 3hyr s LYS 167 N -3.23 1.89 0.38 -3.48 -2.85 -1.26 -5.08 119.74 106.10 3hyr s LYS 167 Ca 0.81 -1.24 -0.27 0.00 -1.00 0.00 0.00 55.97 54.27 3hyr s LYS 167 Cb -0.39 0.57 -0.11 0.00 -2.06 0.00 0.00 37.83 35.84 3hyr s LYS 167 CO 0.42 -0.85 1.30 0.00 0.10 0.00 0.00 175.35 176.31 3hyr n ALA 168 N -0.47 1.38 -1.43 0.59 0.00 -1.26 -4.63 120.51 114.69 3hyr n ALA 168 Ca -0.04 0.32 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 3hyr n ALA 168 Cb 0.60 -2.27 0.09 0.00 0.00 0.00 0.00 19.45 17.87 3hyr n ALA 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hyr n ASN 169 N 0.50 1.02 -4.76 0.00 3.02 -1.26 -4.95 115.26 108.82 3hyr n ASN 169 Ca 0.05 0.70 -0.41 0.00 -0.03 0.00 0.00 54.58 54.90 3hyr n ASN 169 Cb 0.38 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 3hyr n ASN 169 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hyr s GLU 170 N -3.44 4.41 -0.94 3.52 0.41 0.21 -4.90 118.70 117.98 3hyr s GLU 170 Ca 0.76 2.12 -0.06 0.00 -0.41 0.00 0.00 54.97 57.38 3hyr s GLU 170 Cb -0.35 -3.12 -0.00 0.00 -1.78 0.00 0.00 34.13 28.88 3hyr s GLU 170 CO 0.47 -0.14 2.81 -1.71 -0.49 0.00 0.00 175.26 176.21 3hyr n ASN 171 N 1.30 7.32 -4.80 -0.19 5.15 -1.26 -4.60 115.26 118.18 3hyr n ASN 171 Ca 0.01 -2.93 -0.35 0.00 -0.60 0.00 0.00 54.58 50.71 3hyr n ASN 171 Cb 0.42 -1.38 -0.04 0.00 -0.53 0.00 0.00 39.78 38.26 3hyr n ASN 171 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hyr s VAL 172 N -0.42 3.86 0.23 3.44 0.11 -1.26 -5.01 120.40 121.34 3hyr s VAL 172 Ca 0.61 1.23 -0.30 0.00 -2.93 0.00 0.00 61.98 60.59 3hyr s VAL 172 Cb 0.26 -3.54 -0.09 0.00 -1.53 0.00 0.00 36.38 31.47 3hyr s VAL 172 CO -0.11 -0.17 1.34 -0.70 -3.33 0.00 0.00 175.10 172.13 3hyr s GLU 173 N -3.00 4.36 0.00 1.54 2.12 -1.26 -4.97 118.70 117.48 3hyr s GLU 173 Ca 0.64 2.14 0.00 0.00 0.36 0.00 0.00 54.97 58.10 3hyr s GLU 173 Cb -0.17 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3hyr s GLU 173 CO 0.21 -0.29 0.00 1.28 -0.54 0.00 0.00 175.26 175.92 3hyr n LEU 174 N 2.37 0.00 -4.81 2.70 4.77 -1.26 -5.02 117.00 115.75 3hyr n LEU 174 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 3hyr n LEU 174 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3hyr n LEU 174 CO 0.59 0.00 0.26 -0.69 -1.33 0.00 0.00 177.39 176.22 3hyr s VAL 175 N 0.00 4.78 -0.83 4.08 1.01 -1.26 -4.89 120.40 123.29 3hyr s VAL 175 Ca 0.00 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 3hyr s VAL 175 Cb 0.00 -3.89 0.22 0.00 0.00 0.00 0.00 36.38 32.71 3hyr s VAL 175 CO 0.00 0.54 0.75 -2.28 0.00 0.00 0.00 175.10 174.12 3hyr s HIS 176 N -1.02 3.76 0.45 5.22 2.46 -1.26 -5.06 115.29 119.84 3hyr s HIS 176 Ca 0.29 -2.18 -0.21 0.00 0.47 0.00 0.00 55.06 53.42 3hyr s HIS 176 Cb -0.19 -3.72 -0.10 0.00 -0.13 0.00 0.00 32.58 28.44 3hyr s HIS 176 CO 0.18 -0.96 1.00 0.71 -2.47 0.00 0.00 174.74 173.20 3hyr s TYR 177 N -0.04 3.18 0.32 3.88 1.51 -1.26 -4.86 117.35 120.08 3hyr s TYR 177 Ca 0.19 1.61 -0.29 0.00 -1.01 0.00 0.00 57.07 57.57 3hyr s TYR 177 Cb -0.11 -2.98 -0.12 0.00 -0.11 0.00 0.00 41.96 38.64 3hyr s TYR 177 CO -0.08 -0.47 1.48 0.00 -1.11 0.00 0.00 175.55 175.37 3hyr n ALA 178 N -0.67 2.06 -0.29 3.71 0.00 -1.26 -4.86 120.51 119.19 3hyr n ALA 178 Ca 0.08 0.37 0.07 0.00 0.00 0.00 0.00 53.44 53.95 3hyr n ALA 178 Cb 0.53 -2.39 0.18 0.00 0.00 0.00 0.00 19.45 17.77 3hyr n ALA 178 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hyr h GLN 179 N 3.80 0.05 0.00 0.00 5.75 -2.00 -1.98 115.11 120.73 3hyr h GLN 179 Ca -0.48 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.00 3hyr h GLN 179 Cb 1.25 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.78 3hyr h GLN 179 CO 0.72 0.03 -0.08 -1.35 -2.65 0.00 0.00 178.83 175.49 3hyr h PRO 180 N 0.05 0.00 -0.10 -2.39 0.11 -1.98 0.23 132.00 127.92 3hyr h PRO 180 Ca 0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 3hyr h PRO 180 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hyr h PRO 180 CO -0.79 0.08 -0.10 -0.07 -0.21 0.00 0.00 178.00 176.92 3hyr h LEU 181 N 0.00 0.26 -0.78 2.35 3.38 -1.73 -0.99 115.31 117.79 3hyr h LEU 181 Ca -0.00 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.56 3hyr h LEU 181 Cb 0.34 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3hyr h LEU 181 CO 0.01 0.68 0.45 -0.07 0.09 0.00 0.00 178.44 179.60 3hyr h LEU 182 N -0.17 0.66 -0.02 1.67 3.38 -1.00 -0.53 115.31 119.30 3hyr h LEU 182 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hyr h LEU 182 Cb 0.61 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hyr h LEU 182 CO 0.02 0.40 0.01 0.78 0.09 0.00 0.00 178.44 179.75 3hyr h ASN 183 N 0.79 0.03 -0.91 -0.43 2.35 -0.52 -0.05 115.58 116.84 3hyr h ASN 183 Ca 0.36 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3hyr h ASN 183 Cb 0.27 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3hyr h ASN 183 CO -0.21 0.18 0.54 -0.08 -1.65 0.00 0.00 177.43 176.20 3hyr h GLU 184 N -0.12 1.25 -0.83 0.81 4.57 -1.08 -2.19 114.58 116.98 3hyr h GLU 184 Ca 0.01 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3hyr h GLU 184 Cb 0.16 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 3hyr h GLU 184 CO -0.00 0.88 0.37 0.00 -1.18 0.00 0.00 179.01 179.08 3hyr h ALA 185 N 1.29 1.08 -0.63 2.92 0.00 -0.87 -1.72 119.26 121.34 3hyr h ALA 185 Ca 0.33 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hyr h ALA 185 Cb -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3hyr h ALA 185 CO -0.06 0.67 0.40 -0.44 0.00 0.00 0.00 179.25 179.82 3hyr h ASP 186 N 1.19 0.67 -0.41 0.00 3.32 -0.72 -0.33 116.42 120.14 3hyr h ASP 186 Ca 0.28 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3hyr h ASP 186 Cb 0.17 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3hyr h ASP 186 CO -0.03 0.47 0.09 0.77 -1.72 0.00 0.00 179.24 178.82 3hyr h SER 187 N 0.80 0.63 -0.75 6.45 4.64 -1.06 -2.29 113.55 121.98 3hyr h SER 187 Ca 0.24 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hyr h SER 187 Cb -0.03 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3hyr h SER 187 CO -0.08 0.71 0.43 -0.07 -0.87 0.00 0.00 176.83 176.96 3hyr h LEU 188 N 0.53 0.92 -0.85 5.97 3.38 -1.21 -3.17 115.31 120.89 3hyr h LEU 188 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3hyr h LEU 188 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3hyr h LEU 188 CO 0.00 0.73 0.08 0.00 0.09 0.00 0.00 178.44 179.35 3hyr h ALA 189 N 1.42 1.05 0.00 1.53 0.00 -0.61 -2.91 119.26 119.75 3hyr h ALA 189 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hyr h ALA 189 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hyr h ALA 189 CO -0.05 0.61 0.00 0.36 0.00 0.00 0.00 179.25 180.17 3hyr n LYS 190 N -4.23 0.25 -3.49 0.00 2.85 -0.90 -4.87 118.16 107.77 3hyr n LYS 190 Ca 0.04 0.09 -0.34 0.00 -1.05 0.00 0.00 58.31 57.05 3hyr n LYS 190 Cb 0.28 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.10 3hyr n LYS 190 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3hyr n VAL 191 N -1.32 3.10 -2.92 0.58 0.31 -1.10 -5.08 118.33 111.89 3hyr n VAL 191 Ca 0.09 -5.27 -0.41 0.00 -0.01 0.00 0.00 64.34 58.74 3hyr n VAL 191 Cb 0.18 -2.22 -0.04 0.00 -0.91 0.00 0.00 33.84 30.85 3hyr n VAL 191 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hyr s PRO 193 N -1.98 4.21 0.11 5.55 0.02 -1.26 -3.56 135.00 138.09 3hyr s PRO 193 Ca 0.32 0.91 0.18 0.00 0.02 0.00 0.00 61.00 62.43 3hyr s PRO 193 Cb 0.02 -3.62 0.77 0.00 0.02 0.00 0.00 34.50 31.68 3hyr s PRO 193 CO -0.06 -0.44 1.56 0.45 -0.33 0.00 0.00 177.00 178.19 3hyr n SER 194 N 5.71 0.28 0.05 2.53 2.88 -1.26 -2.53 113.62 121.29 3hyr n SER 194 Ca 0.04 0.57 0.04 0.00 -1.33 0.00 0.00 58.87 58.19 3hyr n SER 194 Cb 0.48 -0.63 0.19 0.00 -0.75 0.00 0.00 64.21 63.50 3hyr n SER 194 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hyr n ASP 195 N -1.81 0.18 -4.67 -3.46 5.75 -1.26 -4.51 116.55 106.78 3hyr n ASP 195 Ca 0.03 0.57 -0.35 0.00 -0.01 0.00 0.00 54.79 55.04 3hyr n ASP 195 Cb 0.19 -0.60 -0.09 0.00 -1.03 0.00 0.00 41.12 39.59 3hyr n ASP 195 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hyr s ILE 196 N -3.16 4.79 0.47 2.12 1.01 -1.05 -5.08 121.20 120.30 3hyr s ILE 196 Ca -0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 3hyr s ILE 196 Cb 0.02 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 3hyr s ILE 196 CO 0.06 0.50 1.02 -2.65 0.00 0.00 0.00 174.94 173.87 3hyr n PRO 197 N 3.18 1.29 -0.35 2.79 -0.02 -1.26 -4.72 135.00 135.90 3hyr n PRO 197 Ca -0.17 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3hyr n PRO 197 Cb 0.53 -2.11 0.30 0.00 -0.02 0.00 0.00 33.50 32.20 3hyr n PRO 197 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hyr h LEU 198 N 1.30 0.79 -0.60 2.45 5.85 -1.98 0.18 115.31 123.30 3hyr h LEU 198 Ca -0.46 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3hyr h LEU 198 Cb 1.34 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3hyr h LEU 198 CO 0.55 0.30 0.29 0.50 -0.34 0.00 0.00 178.44 179.75 3hyr h LYS 199 N 0.79 0.86 -0.10 1.25 3.64 -1.92 -0.79 116.57 120.30 3hyr h LYS 199 Ca 0.56 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.64 3hyr h LYS 199 Cb 0.81 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3hyr h LYS 199 CO -0.36 0.69 -0.68 1.96 -2.27 0.00 0.00 179.45 178.78 3hyr h GLN 200 N 0.82 0.43 -0.26 1.90 4.20 -1.41 -1.95 115.11 118.84 3hyr h GLN 200 Ca 0.21 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3hyr h GLN 200 Cb 0.11 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3hyr h GLN 200 CO -0.03 0.96 0.15 0.00 -0.67 0.00 0.00 178.83 179.24 3hyr h ARG 201 N 0.30 0.36 -0.75 1.46 3.08 -0.45 0.12 114.38 118.50 3hyr h ARG 201 Ca -0.02 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.07 3hyr h ARG 201 Cb 1.25 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 3hyr h ARG 201 CO 0.12 0.30 0.42 0.00 -1.07 0.00 0.00 179.97 179.74 3hyr h ARG 202 N 0.32 0.73 -0.59 0.04 3.08 -1.11 -1.28 114.38 115.57 3hyr h ARG 202 Ca 0.09 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3hyr h ARG 202 Cb 0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3hyr h ARG 202 CO -0.02 0.48 0.20 2.35 -1.07 0.00 0.00 179.97 181.91 3hyr h TRP 203 N 0.75 0.94 -0.83 3.04 7.01 -0.82 -2.09 115.95 123.96 3hyr h TRP 203 Ca 0.35 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 3hyr h TRP 203 Cb 0.26 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 3hyr h TRP 203 CO -0.07 0.78 0.43 -0.07 -2.79 0.00 0.00 178.44 176.72 3hyr h LEU 204 N 0.83 1.05 -0.67 0.65 3.38 -0.45 -1.89 115.31 118.22 3hyr h LEU 204 Ca 0.19 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hyr h LEU 204 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hyr h LEU 204 CO -0.01 0.87 0.44 1.23 0.09 0.00 0.00 178.44 181.06 3hyr h GLY 205 N 1.16 0.95 1.02 0.83 0.00 -1.03 -2.97 103.07 103.03 3hyr h GLY 205 Ca 0.29 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3hyr h GLY 205 CO -0.04 0.35 0.28 -2.00 0.00 0.00 0.00 176.54 175.13 3hyr h LEU 206 N 0.91 0.95 -1.74 3.11 5.85 -0.84 -2.05 115.31 121.51 3hyr h LEU 206 Ca 0.25 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hyr h LEU 206 Cb -0.10 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.68 3hyr h LEU 206 CO -0.05 0.86 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 3hyr n GLN 207 N -4.38 0.19 0.00 1.25 1.13 -0.76 -2.27 117.38 112.54 3hyr n GLN 207 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 3hyr n GLN 207 Cb 0.17 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.20 3hyr n GLN 207 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3hyr n LEU 209 N 0.77 0.00 0.06 1.08 4.77 -0.77 -1.47 117.00 121.45 3hyr n LEU 209 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3hyr n LEU 209 Cb 0.08 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.46 3hyr n LEU 209 CO 0.00 0.00 0.57 1.21 -1.33 0.00 0.00 177.39 177.84 3hyr n GLU 210 N 0.00 0.22 0.00 3.23 2.13 -0.96 -4.39 120.64 120.87 3hyr n GLU 210 Ca 0.00 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3hyr n GLU 210 Cb 0.00 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.03 3hyr n GLU 210 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hyr n GLY 211 N 1.36 1.23 3.74 8.31 0.00 -0.75 -4.85 105.19 114.22 3hyr n GLY 211 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3hyr n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hyr s ASP 212 N -1.94 6.84 -0.17 1.61 2.15 -0.54 -4.97 116.67 119.65 3hyr s ASP 212 Ca 0.00 2.46 -0.07 0.00 0.43 0.00 0.00 52.55 55.37 3hyr s ASP 212 Cb 0.00 -2.61 -0.23 0.00 -0.30 0.00 0.00 42.92 39.78 3hyr s ASP 212 CO 0.00 -0.57 0.19 -0.38 -0.17 0.00 0.00 175.17 174.23 3hyr n ILE 213 N 2.63 1.68 -0.21 4.11 5.41 -1.26 -4.34 119.36 127.38 3hyr n ILE 213 Ca 0.07 -0.55 0.13 0.00 1.00 0.00 0.00 62.75 63.40 3hyr n ILE 213 Cb 0.42 -1.71 0.44 0.00 -0.71 0.00 0.00 39.64 38.08 3hyr n ILE 213 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3hyr h TYR 214 N -0.13 0.65 -0.94 1.39 0.05 -1.98 -2.42 116.97 113.59 3hyr h TYR 214 Ca -0.46 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.35 3hyr h TYR 214 Cb 1.90 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 39.39 3hyr h TYR 214 CO 0.06 0.25 0.62 0.77 -1.05 0.00 0.00 178.16 178.81 3hyr h SER 215 N 0.56 1.08 -1.04 3.88 0.02 -1.95 -2.73 113.55 113.36 3hyr h SER 215 Ca 0.40 -0.03 0.27 0.00 -0.84 0.00 0.00 61.79 61.59 3hyr h SER 215 Cb 0.75 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.93 3hyr h SER 215 CO -0.15 0.78 0.68 0.03 -1.14 0.00 0.00 176.83 177.03 3hyr h ARG 216 N 1.27 0.33 -0.10 3.45 3.08 -1.63 -2.00 114.38 118.78 3hyr h ARG 216 Ca 0.34 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.40 3hyr h ARG 216 Cb -0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3hyr h ARG 216 CO -0.07 0.22 0.08 0.00 -1.07 0.00 0.00 179.97 179.13 3hyr h ALA 217 N 1.60 1.99 0.00 0.04 0.00 -1.61 -2.20 119.26 119.08 3hyr h ALA 217 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3hyr h ALA 217 Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3hyr h ALA 217 CO -0.26 -0.14 -1.38 0.98 0.00 0.00 0.00 179.25 178.46 3hyr n TYR 218 N -4.33 0.43 1.68 0.00 9.36 -0.76 -4.49 117.16 119.05 3hyr n TYR 218 Ca -0.00 0.13 0.10 0.00 3.32 0.00 0.00 57.90 61.44 3hyr n TYR 218 Cb 0.20 -0.65 0.49 0.00 -0.63 0.00 0.00 39.34 38.74 3hyr n TYR 218 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hyr n ALA 219 N -2.12 2.57 -0.60 2.98 0.00 -0.83 -4.60 120.51 117.91 3hyr n ALA 219 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3hyr n ALA 219 Cb 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3hyr n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyr n GLY 220 N 0.94 2.92 0.28 0.00 0.00 -1.25 -1.98 105.19 106.10 3hyr n GLY 220 Ca 0.15 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.51 3hyr n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hyr h GLU 221 N 0.00 0.42 -1.35 1.61 5.08 -1.94 -3.35 114.58 115.05 3hyr h GLU 221 Ca 0.00 -0.05 0.42 0.00 -1.00 0.00 0.00 59.36 58.73 3hyr h GLU 221 Cb 0.00 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.06 3hyr h GLU 221 CO 0.00 0.36 0.90 0.00 -1.00 0.00 0.00 179.01 179.26 3hyr h ALA 222 N 1.71 2.84 0.00 3.43 0.00 -1.45 -2.37 119.26 123.42 3hyr h ALA 222 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hyr h ALA 222 Cb 0.10 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hyr h ALA 222 CO -0.01 -1.40 0.00 0.66 0.00 0.00 0.00 179.25 178.50 3hyr h SER 223 N 0.11 0.00 0.83 0.00 4.64 -1.82 0.24 113.55 117.55 3hyr h SER 223 Ca 0.77 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.09 3hyr h SER 223 Cb 2.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.62 3hyr h SER 223 CO -0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.50 3hyr n GLN 224 N -3.01 0.03 0.00 4.77 10.64 -0.89 -3.42 117.38 125.50 3hyr n GLN 224 Ca -0.00 -0.01 0.10 0.00 -1.83 0.00 0.00 57.00 55.26 3hyr n GLN 224 Cb 0.23 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.06 3hyr n GLN 224 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3hyr n HIS 225 N -1.48 0.01 -0.05 2.61 8.25 0.06 -4.60 115.22 120.01 3hyr n HIS 225 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 3hyr n HIS 225 Cb 0.34 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 3hyr n HIS 225 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hyr h LEU 226 N 0.00 0.31 -0.80 2.41 5.85 -1.55 0.50 115.31 122.04 3hyr h LEU 226 Ca 0.00 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.32 3hyr h LEU 226 Cb 0.52 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3hyr h LEU 226 CO 0.00 0.66 0.52 0.44 -0.34 0.00 0.00 178.44 179.72 3hyr h ASP 227 N -0.04 0.90 -0.32 1.25 5.19 -1.81 0.41 116.42 122.00 3hyr h ASP 227 Ca 0.03 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 3hyr h ASP 227 Cb 0.54 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 3hyr h ASP 227 CO 0.02 0.64 0.20 0.00 -3.12 0.00 0.00 179.24 176.99 3hyr h ALA 228 N 1.30 0.40 -0.04 3.45 0.00 -1.81 0.70 119.26 123.27 3hyr h ALA 228 Ca 0.30 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3hyr h ALA 228 Cb -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3hyr h ALA 228 CO -0.08 -0.14 -0.09 0.00 0.00 0.00 0.00 179.25 178.93 3hyr h ALA 229 N 1.12 -0.06 -0.76 0.00 0.00 -0.17 -1.76 119.26 117.62 3hyr h ALA 229 Ca 0.12 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hyr h ALA 229 Cb -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hyr h ALA 229 CO -0.04 -0.57 0.29 -0.07 0.00 0.00 0.00 179.25 178.87 3hyr h LEU 230 N -0.14 1.06 -1.04 0.00 3.38 -0.11 -1.01 115.31 117.45 3hyr h LEU 230 Ca 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hyr h LEU 230 Cb 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3hyr h LEU 230 CO -0.13 0.95 0.50 0.00 0.09 0.00 0.00 178.44 179.85 3hyr h ALA 231 N 1.15 1.27 0.04 1.53 0.00 -0.73 -2.39 119.26 120.13 3hyr h ALA 231 Ca 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hyr h ALA 231 Cb 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hyr h ALA 231 CO -0.02 0.61 -0.02 -0.09 0.00 0.00 0.00 179.25 179.73 3hyr h ARG 232 N 1.18 -0.05 -0.85 0.00 2.43 -0.98 -3.27 114.38 112.84 3hyr h ARG 232 Ca 0.31 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.56 3hyr h ARG 232 Cb -0.03 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 3hyr h ARG 232 CO -0.05 0.14 0.55 -0.07 -1.51 0.00 0.00 179.97 179.03 3hyr h LEU 233 N -0.24 0.80 -0.41 3.80 3.38 -0.90 -2.58 115.31 119.16 3hyr h LEU 233 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hyr h LEU 233 Cb 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hyr h LEU 233 CO 0.01 0.49 0.00 0.54 0.09 0.00 0.00 178.44 179.57 3hyr n ARG 234 N -4.50 0.12 0.10 1.13 1.74 -0.93 -0.40 116.66 113.92 3hyr n ARG 234 Ca 0.14 0.35 -0.03 0.00 -0.77 0.00 0.00 57.85 57.53 3hyr n ARG 234 Cb 0.25 -1.72 0.03 0.00 -1.02 0.00 0.00 32.46 30.00 3hyr n ARG 234 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3hyr h ASN 235 N 0.00 0.00 -0.05 0.55 -0.26 -1.59 -3.43 115.58 110.81 3hyr h ASN 235 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hyr h ASN 235 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3hyr h ASN 235 CO 0.00 0.78 0.00 -0.62 -1.06 0.00 0.00 177.43 176.53 3hyr n GLU 236 N -3.54 2.06 -0.03 0.81 -0.58 0.46 -5.18 120.64 114.64 3hyr n GLU 236 Ca -0.00 -1.55 -0.01 0.00 -0.42 0.00 0.00 57.16 55.18 3hyr n GLU 236 Cb 0.77 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 30.11 3hyr n GLU 236 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hyr n ASP 238 N 0.86 3.06 -3.21 1.62 8.00 -1.26 -5.08 116.55 120.54 3hyr n ASP 238 Ca 0.16 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.55 3hyr n ASP 238 Cb 0.49 0.93 -0.05 0.00 -0.02 0.00 0.00 41.12 42.48 3hyr n ASP 238 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hyr s ASP 239 N -3.63 0.02 0.20 -2.24 1.11 -1.26 -5.05 116.67 105.82 3hyr s ASP 239 Ca -0.04 -1.61 -0.11 0.00 0.18 0.00 0.00 52.55 50.98 3hyr s ASP 239 Cb 0.03 1.05 0.23 0.00 1.07 0.00 0.00 42.92 45.29 3hyr s ASP 239 CO 0.33 -0.18 1.74 1.55 1.18 0.00 0.00 175.17 179.79 3hyr h PRO 240 N 6.46 0.36 -0.17 8.23 0.13 -1.94 0.09 132.00 145.17 3hyr h PRO 240 Ca 0.08 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 3hyr h PRO 240 Cb 1.08 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3hyr h PRO 240 CO 0.16 0.24 -0.33 0.00 -0.23 0.00 0.00 178.00 177.84 3hyr h ALA 241 N 1.38 1.14 -0.07 -0.56 0.00 -1.89 -2.37 119.26 116.89 3hyr h ALA 241 Ca 0.27 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 3hyr h ALA 241 Cb 0.32 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hyr h ALA 241 CO -0.28 0.56 -0.85 1.25 0.00 0.00 0.00 179.25 179.92 3hyr h LEU 242 N 0.29 0.69 -1.57 0.00 7.12 -1.77 -1.85 115.31 118.23 3hyr h LEU 242 Ca 0.04 -0.49 0.04 0.00 0.13 0.00 0.00 57.88 57.59 3hyr h LEU 242 Cb 0.72 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 3hyr h LEU 242 CO 0.06 1.27 0.35 0.45 -0.13 0.00 0.00 178.44 180.44 3hyr h HIS 243 N 0.36 0.54 -0.07 1.25 3.86 -0.83 0.38 115.15 120.64 3hyr h HIS 243 Ca -0.07 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3hyr h HIS 243 Cb 1.47 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.76 3hyr h HIS 243 CO 0.07 0.31 -0.06 0.82 0.86 0.00 0.00 177.93 179.93 3hyr h ILE 244 N 0.56 1.36 -0.23 2.45 2.04 -1.23 -0.85 117.51 121.60 3hyr h ILE 244 Ca 0.21 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.93 3hyr h ILE 244 Cb 0.15 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3hyr h ILE 244 CO -0.06 0.33 0.01 0.00 0.00 0.00 0.00 178.15 178.43 3hyr h ALA 245 N 0.57 0.21 -0.92 1.87 0.00 -0.80 -2.33 119.26 117.86 3hyr h ALA 245 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hyr h ALA 245 Cb 0.55 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3hyr h ALA 245 CO 0.01 -0.41 0.59 -0.44 0.00 0.00 0.00 179.25 179.01 3hyr h ASP 246 N 0.09 0.97 -0.20 0.00 3.32 -0.22 -2.02 116.42 118.36 3hyr h ASP 246 Ca 0.11 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 3hyr h ASP 246 Cb 0.13 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hyr h ASP 246 CO -0.18 0.64 -0.67 0.00 -1.72 0.00 0.00 179.24 177.32 3hyr h ALA 247 N 1.40 0.40 -0.45 3.45 0.00 -0.98 -0.39 119.26 122.69 3hyr h ALA 247 Ca 0.38 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hyr h ALA 247 Cb 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3hyr h ALA 247 CO -0.14 0.69 0.24 0.00 0.00 0.00 0.00 179.25 180.03 3hyr h ARG 248 N 0.60 0.46 -0.14 0.00 3.08 -1.31 -0.97 114.38 116.10 3hyr h ARG 248 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3hyr h ARG 248 Cb 1.28 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3hyr h ARG 248 CO 0.14 0.31 0.03 -0.92 -1.07 0.00 0.00 179.97 178.46 3hyr h TYR 249 N 0.48 0.24 -0.56 3.04 3.20 -1.28 -1.59 116.97 120.49 3hyr h TYR 249 Ca 0.19 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.14 3hyr h TYR 249 Cb 0.08 -0.07 -0.11 0.00 1.54 0.00 0.00 36.73 38.17 3hyr h TYR 249 CO -0.09 0.38 -0.25 0.37 -1.64 0.00 0.00 178.16 176.93 3hyr h GLN 250 N 0.03 -0.11 -0.41 1.82 4.15 -0.92 0.17 115.11 119.85 3hyr h GLN 250 Ca 0.04 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3hyr h GLN 250 Cb 0.26 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 3hyr h GLN 250 CO 0.00 -0.07 0.19 0.00 -1.93 0.00 0.00 178.83 177.02 3hyr h ILE 252 N 0.51 1.27 0.00 0.00 1.08 -0.84 -2.52 117.51 117.02 3hyr h ILE 252 Ca 0.14 -1.10 -0.09 0.00 -0.39 0.00 0.00 64.86 63.42 3hyr h ILE 252 Cb 0.13 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3hyr h ILE 252 CO -0.02 0.37 -0.41 0.00 -0.69 0.00 0.00 178.15 177.40 3hyr h ALA 253 N 0.85 1.17 -0.14 1.87 0.00 -0.57 -1.06 119.26 121.38 3hyr h ALA 253 Ca 0.10 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3hyr h ALA 253 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hyr h ALA 253 CO 0.03 0.51 -0.56 0.00 0.00 0.00 0.00 179.25 179.23 3hyr h ALA 254 N 1.59 0.77 0.06 0.00 0.00 -1.04 -1.65 119.26 118.98 3hyr h ALA 254 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hyr h ALA 254 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hyr h ALA 254 CO 0.05 0.70 -0.03 0.82 0.00 0.00 0.00 179.25 180.79 3hyr h ILE 255 N 0.33 1.10 -0.38 0.00 2.04 -1.11 -3.21 117.51 116.27 3hyr h ILE 255 Ca 0.00 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 3hyr h ILE 255 Cb 1.08 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 3hyr h ILE 255 CO 0.10 0.13 -0.13 0.00 0.00 0.00 0.00 178.15 178.24 3hyr h ASP 257 N 0.62 1.00 0.58 0.00 3.32 -1.37 -0.91 116.42 119.66 3hyr h ASP 257 Ca 0.10 0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.89 3hyr h ASP 257 Cb 0.58 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hyr h ASP 257 CO 0.04 0.62 -1.31 0.58 -1.72 0.00 0.00 179.24 177.45 3hyr h VAL 258 N 1.13 1.43 0.10 -1.35 2.07 -1.39 -3.39 116.25 114.84 3hyr h VAL 258 Ca 0.44 -3.00 -0.32 0.00 0.82 0.00 0.00 66.70 64.64 3hyr h VAL 258 Cb 0.23 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3hyr h VAL 258 CO -0.18 0.88 -1.70 0.58 0.02 0.00 0.00 177.57 177.17 3hyr h VAL 259 N 0.08 0.95 -0.03 2.57 2.07 -0.85 -3.45 116.25 117.59 3hyr h VAL 259 Ca -0.16 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.72 3hyr h VAL 259 Cb 1.99 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 34.39 3hyr h VAL 259 CO 0.20 0.78 0.00 -1.54 0.02 0.00 0.00 177.57 177.03