#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1s n PRO 13 N 0.00 1.28 -3.00 1.61 -0.02 -1.26 -4.96 135.00 128.64 3a1s n PRO 13 Ca 0.00 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3a1s n PRO 13 Cb 0.00 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 30.92 3a1s n PRO 13 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3a1s s LEU 14 N -3.78 4.12 0.00 2.45 2.96 -1.26 -5.24 118.68 117.94 3a1s s LEU 14 Ca 0.78 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 3a1s s LEU 14 Cb -0.40 -2.98 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3a1s s LEU 14 CO 0.44 -0.60 0.02 1.41 -1.32 0.00 0.00 176.35 176.30 3a1s n HIS 15 N 6.14 -3.04 -3.88 5.38 8.25 -1.26 -5.18 115.22 121.63 3a1s n HIS 15 Ca 0.02 -0.06 -0.27 0.00 -0.26 0.00 0.00 57.72 57.15 3a1s n HIS 15 Cb 0.48 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.41 3a1s n HIS 15 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3a1s s VAL 17 N 0.78 0.99 -0.16 1.59 1.01 -0.03 -4.48 120.40 120.10 3a1s s VAL 17 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 3a1s s VAL 17 Cb -0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3a1s s VAL 17 CO 0.01 0.25 0.40 -0.54 0.00 0.00 0.00 175.10 175.22 3a1s s LYS 18 N 1.70 4.27 -0.09 2.72 1.02 -1.26 -0.29 119.74 127.81 3a1s s LYS 18 Ca 0.03 0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.29 3a1s s LYS 18 Cb -0.14 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 3a1s s LYS 18 CO -0.08 0.12 -0.09 0.08 -0.92 0.00 0.00 175.35 174.47 3a1s s VAL 19 N 0.79 1.00 -0.04 3.17 1.01 -0.04 -0.26 120.40 126.03 3a1s s VAL 19 Ca 0.21 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 3a1s s VAL 19 Cb -0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3a1s s VAL 19 CO 0.07 0.35 0.48 0.00 0.00 0.00 0.00 175.10 176.00 3a1s s ALA 20 N 1.25 3.56 -0.37 5.51 0.00 -0.71 -0.24 121.76 130.77 3a1s s ALA 20 Ca -0.04 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 3a1s s ALA 20 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3a1s s ALA 20 CO -0.03 0.23 0.26 -0.51 0.00 0.00 0.00 175.76 175.71 3a1s s LEU 21 N -0.27 4.74 0.16 0.00 1.43 0.57 -0.16 118.68 125.16 3a1s s LEU 21 Ca 0.26 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3a1s s LEU 21 Cb -0.17 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3a1s s LEU 21 CO 0.13 -0.33 -0.04 0.00 0.23 0.00 0.00 176.35 176.35 3a1s s ALA 22 N 1.69 3.11 0.00 4.21 0.00 -0.16 -1.37 121.76 129.24 3a1s s ALA 22 Ca 0.05 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3a1s s ALA 22 Cb -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3a1s s ALA 22 CO 0.10 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.78 3a1s n GLY 23 N 0.05 1.41 3.70 0.00 0.00 -1.26 -0.81 105.19 108.28 3a1s n GLY 23 Ca -0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3a1s n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1s s PRO 25 N -4.86 2.73 -1.16 0.00 0.02 -1.26 -3.89 135.00 126.57 3a1s s PRO 25 Ca 0.64 1.89 -0.07 0.00 0.02 0.00 0.00 61.00 63.48 3a1s s PRO 25 Cb -0.19 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.45 3a1s s PRO 25 CO 0.58 -1.41 1.01 -1.71 -0.33 0.00 0.00 177.00 175.13 3a1s n ASN 26 N -1.85 -5.61 -0.21 2.53 5.15 -1.26 -4.91 115.26 109.11 3a1s n ASN 26 Ca 0.14 -0.46 0.03 0.00 -0.60 0.00 0.00 54.58 53.69 3a1s n ASN 26 Cb 0.49 -4.39 0.01 0.00 -0.53 0.00 0.00 39.78 35.37 3a1s n ASN 26 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3a1s n VAL 27 N -4.61 0.00 0.00 3.44 0.24 -1.25 -4.99 118.33 111.16 3a1s n VAL 27 Ca -0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3a1s n VAL 27 Cb 0.56 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 3a1s n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1s n GLY 28 N 0.54 1.19 0.12 7.63 0.00 -1.26 -4.12 105.19 109.30 3a1s n GLY 28 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3a1s n GLY 28 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a1s h LYS 29 N 0.72 0.30 -0.74 1.61 3.64 -1.93 -1.84 116.57 118.34 3a1s h LYS 29 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3a1s h LYS 29 Cb 0.00 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3a1s h LYS 29 CO 0.00 0.57 0.47 1.15 -2.27 0.00 0.00 179.45 179.36 3a1s h THR 30 N 0.01 1.20 -0.65 1.00 2.02 -1.99 -0.01 112.91 114.49 3a1s h THR 30 Ca 0.04 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 3a1s h THR 30 Cb 0.45 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3a1s h THR 30 CO 0.01 0.20 0.11 0.28 0.37 0.00 0.00 175.52 176.50 3a1s h SER 31 N 1.01 1.03 -0.39 4.18 0.02 -1.97 0.48 113.55 117.90 3a1s h SER 31 Ca 0.27 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3a1s h SER 31 Cb -0.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 3a1s h SER 31 CO -0.05 1.03 -0.15 0.25 -1.14 0.00 0.00 176.83 176.77 3a1s h LEU 32 N 1.00 0.81 -0.38 5.07 5.85 -1.01 -0.21 115.31 126.43 3a1s h LEU 32 Ca 0.20 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.58 3a1s h LEU 32 Cb 0.43 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3a1s h LEU 32 CO 0.01 1.01 0.12 0.15 -0.34 0.00 0.00 178.44 179.40 3a1s h PHE 33 N 0.59 0.22 -0.63 1.25 3.04 -0.76 -1.22 116.94 119.43 3a1s h PHE 33 Ca 0.09 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 3a1s h PHE 33 Cb 0.69 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 3a1s h PHE 33 CO 0.05 0.08 0.11 -0.91 -2.02 0.00 0.00 178.31 175.62 3a1s h ASN 34 N 0.27 0.97 0.01 0.41 2.35 -0.68 -1.45 115.58 117.47 3a1s h ASN 34 Ca 0.18 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3a1s h ASN 34 Cb 0.17 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3a1s h ASN 34 CO -0.19 0.97 -0.17 0.00 -1.65 0.00 0.00 177.43 176.38 3a1s h ALA 35 N 1.14 1.37 0.24 -0.83 0.00 -0.45 0.26 119.26 120.98 3a1s h ALA 35 Ca 0.19 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 3a1s h ALA 35 Cb 0.41 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3a1s h ALA 35 CO 0.01 0.43 -1.57 -0.07 0.00 0.00 0.00 179.25 178.06 3a1s h LEU 36 N 0.29 0.78 0.00 0.00 3.38 -0.92 -3.39 115.31 115.44 3a1s h LEU 36 Ca 0.05 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3a1s h LEU 36 Cb 0.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3a1s h LEU 36 CO 0.03 1.74 -1.47 0.35 0.09 0.00 0.00 178.44 179.18 3a1s n THR 37 N -3.69 0.00 -0.08 0.22 -2.24 -0.57 -4.76 114.28 103.16 3a1s n THR 37 Ca -0.19 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3a1s n THR 37 Cb 1.10 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3a1s n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1s n GLY 38 N 1.42 3.58 0.95 3.38 0.00 0.07 -1.66 105.19 112.92 3a1s n GLY 38 Ca -0.01 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3a1s n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a1s n THR 39 N 0.00 0.55 -2.13 2.61 -2.24 -1.26 -4.60 114.28 107.21 3a1s n THR 39 Ca 0.00 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 3a1s n THR 39 Cb 0.00 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3a1s n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a1s n LYS 40 N 1.04 3.44 -3.85 -0.78 5.02 -0.67 -4.90 118.16 117.47 3a1s n LYS 40 Ca 0.18 -3.24 -0.09 0.00 -2.02 0.00 0.00 58.31 53.15 3a1s n LYS 40 Cb 0.47 -3.02 -0.07 0.00 -0.02 0.00 0.00 35.03 32.40 3a1s n LYS 40 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3a1s s GLN 41 N 1.15 0.90 0.12 1.97 -2.07 -1.26 -1.60 119.66 118.87 3a1s s GLN 41 Ca 0.43 -0.96 -0.15 0.00 -1.82 0.00 0.00 55.36 52.86 3a1s s GLN 41 Cb 0.11 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.42 3a1s s GLN 41 CO -0.03 -0.30 0.37 1.52 -1.32 0.00 0.00 175.29 175.54 3a1s s TYR 42 N -3.87 -0.13 -0.05 9.60 1.13 0.24 -4.98 117.35 119.29 3a1s s TYR 42 Ca 0.06 -0.20 0.03 0.00 -1.41 0.00 0.00 57.07 55.55 3a1s s TYR 42 Cb 0.04 0.21 0.01 0.00 -1.10 0.00 0.00 41.96 41.13 3a1s s TYR 42 CO -0.10 -0.69 -0.12 0.14 -2.51 0.00 0.00 175.55 172.27 3a1s s VAL 43 N -3.82 1.08 0.00 -3.49 -7.23 -1.26 -1.27 120.40 104.41 3a1s s VAL 43 Ca 0.04 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 3a1s s VAL 43 Cb 0.02 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.99 3a1s s VAL 43 CO -0.11 0.33 0.00 0.00 -0.31 0.00 0.00 175.10 175.01 3a1s n ALA 44 N 3.53 0.00 -2.42 1.32 0.00 -0.57 -4.95 120.51 117.43 3a1s n ALA 44 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 3a1s n ALA 44 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 3a1s n ALA 44 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3a1s s ASN 45 N 1.00 3.48 0.68 0.00 -0.87 -1.26 -0.39 114.94 117.58 3a1s s ASN 45 Ca 0.00 -0.69 -0.16 0.00 -1.57 0.00 0.00 52.86 50.45 3a1s s ASN 45 Cb 0.00 -0.32 0.01 0.00 -0.02 0.00 0.00 41.25 40.93 3a1s s ASN 45 CO 0.00 0.18 1.18 0.26 -2.57 0.00 0.00 177.10 176.16 3a1s s TRP 46 N -1.07 2.26 0.15 2.20 0.52 0.22 -4.66 118.94 118.56 3a1s s TRP 46 Ca 0.15 1.57 -0.34 0.00 0.02 0.00 0.00 56.10 57.50 3a1s s TRP 46 Cb -0.10 -3.40 -0.14 0.00 -1.15 0.00 0.00 33.47 28.68 3a1s s TRP 46 CO 0.07 -2.31 1.56 -2.30 0.02 0.00 0.00 176.95 174.00 3a1s n PRO 47 N -2.41 2.08 -1.01 4.98 -0.02 -1.26 -2.44 135.00 134.92 3a1s n PRO 47 Ca 0.13 0.75 -0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3a1s n PRO 47 Cb 0.50 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3a1s n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1s n GLY 48 N 3.36 0.21 3.26 -1.23 0.00 -1.26 -4.96 105.19 104.58 3a1s n GLY 48 Ca 0.17 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 3a1s n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1s s VAL 49 N -1.41 0.03 -1.96 1.61 -7.23 -1.02 -5.05 120.40 105.37 3a1s s VAL 49 Ca 0.00 -2.00 0.26 0.00 -1.81 0.00 0.00 61.98 58.43 3a1s s VAL 49 Cb 0.00 -2.50 0.23 0.00 0.56 0.00 0.00 36.38 34.67 3a1s s VAL 49 CO 0.00 0.00 1.45 0.35 -0.31 0.00 0.00 175.10 176.59 3a1s n THR 50 N -0.50 0.00 -2.54 5.32 -2.24 -1.26 -4.42 114.28 108.64 3a1s n THR 50 Ca 0.05 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 3a1s n THR 50 Cb 0.64 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 3a1s n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3a1s s VAL 51 N -2.42 3.83 0.20 2.28 1.01 -1.26 -4.91 120.40 119.14 3a1s s VAL 51 Ca 0.25 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 3a1s s VAL 51 Cb 0.19 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3a1s s VAL 51 CO 0.50 0.32 1.29 -0.70 0.00 0.00 0.00 175.10 176.51 3a1s s GLU 52 N -0.64 4.41 -0.29 2.72 2.12 -1.26 -0.61 118.70 125.14 3a1s s GLU 52 Ca 0.47 2.02 -0.03 0.00 0.36 0.00 0.00 54.97 57.79 3a1s s GLU 52 Cb -0.29 -3.20 0.03 0.00 0.26 0.00 0.00 34.13 30.93 3a1s s GLU 52 CO 0.36 -0.22 0.02 0.21 -0.54 0.00 0.00 175.26 175.09 3a1s s LYS 53 N -0.18 2.68 -0.22 4.30 2.20 0.48 -4.68 119.74 124.31 3a1s s LYS 53 Ca 0.56 -1.10 -0.10 0.00 -0.36 0.00 0.00 55.97 54.97 3a1s s LYS 53 Cb -0.36 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 3a1s s LYS 53 CO 0.38 -0.54 0.13 0.21 -0.36 0.00 0.00 175.35 175.17 3a1s s LYS 54 N 1.34 4.05 0.13 4.03 2.20 -1.26 -1.51 119.74 128.72 3a1s s LYS 54 Ca -0.02 -0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 3a1s s LYS 54 Cb -0.18 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 3a1s s LYS 54 CO -0.01 0.13 -0.10 -1.21 -0.36 0.00 0.00 175.35 173.81 3a1s s GLU 55 N 0.82 0.97 0.22 4.03 2.02 -0.39 -1.46 118.70 124.91 3a1s s GLU 55 Ca 0.07 -1.34 -0.09 0.00 0.02 0.00 0.00 54.97 53.62 3a1s s GLU 55 Cb -0.13 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 33.53 3a1s s GLU 55 CO 0.02 0.07 0.35 0.20 0.02 0.00 0.00 175.26 175.93 3a1s s GLY 56 N -2.91 0.76 -0.01 -1.39 0.00 0.10 -0.59 107.32 103.28 3a1s s GLY 56 Ca 0.12 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.76 3a1s s GLY 56 CO -0.00 -0.86 -0.03 0.14 0.00 0.00 0.00 173.10 172.35 3a1s s VAL 57 N -4.05 0.25 0.20 1.40 1.01 -0.63 -0.38 120.40 118.21 3a1s s VAL 57 Ca 0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3a1s s VAL 57 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 3a1s s VAL 57 CO 0.08 0.08 0.18 0.72 0.00 0.00 0.00 175.10 176.17 3a1s s PHE 58 N 0.09 1.01 0.18 5.22 -0.12 -0.48 -4.73 117.98 119.15 3a1s s PHE 58 Ca -0.01 -1.26 0.10 0.00 -0.05 0.00 0.00 56.93 55.71 3a1s s PHE 58 Cb -0.03 -0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 3a1s s PHE 58 CO -0.00 -0.68 -0.21 0.95 -0.05 0.00 0.00 175.22 175.22 3a1s s THR 59 N -4.13 2.09 -0.30 -4.49 -4.23 -1.26 -0.12 115.64 103.21 3a1s s THR 59 Ca 0.35 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 3a1s s THR 59 Cb 0.06 -1.97 0.16 0.00 1.34 0.00 0.00 72.50 72.09 3a1s s THR 59 CO 0.11 -0.20 0.61 -0.47 -0.54 0.00 0.00 174.62 174.13 3a1s s TYR 60 N -1.79 -1.46 -1.46 3.99 5.04 0.14 -4.97 117.35 116.85 3a1s s TYR 60 Ca 0.18 1.96 -0.11 0.00 -2.44 0.00 0.00 57.07 56.65 3a1s s TYR 60 Cb -0.07 0.65 0.07 0.00 0.35 0.00 0.00 41.96 42.97 3a1s s TYR 60 CO 0.08 -0.78 0.74 1.63 -1.34 0.00 0.00 175.55 175.89 3a1s n LYS 61 N 5.44 -4.53 0.00 4.97 5.02 -1.26 -1.09 118.16 126.70 3a1s n LYS 61 Ca -0.06 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 3a1s n LYS 61 Cb 0.50 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3a1s n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1s n GLY 62 N -1.46 0.61 3.91 0.72 0.00 -1.26 -5.05 105.19 102.65 3a1s n GLY 62 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3a1s n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1s s TYR 63 N -2.20 3.48 -0.17 1.61 1.51 -0.25 -5.09 117.35 116.24 3a1s s TYR 63 Ca 0.00 0.45 0.00 0.00 -1.01 0.00 0.00 57.07 56.52 3a1s s TYR 63 Cb 0.00 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 3a1s s TYR 63 CO 0.00 0.41 -0.17 0.99 -1.11 0.00 0.00 175.55 175.67 3a1s s THR 64 N -1.75 2.40 -0.17 -0.71 2.01 -1.26 -0.68 115.64 115.47 3a1s s THR 64 Ca 0.40 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 3a1s s THR 64 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3a1s s THR 64 CO 0.27 0.52 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.07 3a1s s ILE 65 N 1.14 4.01 -0.38 1.82 1.09 0.83 -0.85 121.20 128.87 3a1s s ILE 65 Ca 0.01 -0.31 -0.12 0.00 -1.10 0.00 0.00 60.65 59.13 3a1s s ILE 65 Cb -0.14 -2.78 0.02 0.00 -1.06 0.00 0.00 42.46 38.49 3a1s s ILE 65 CO -0.07 0.47 0.24 0.21 -0.10 0.00 0.00 174.94 175.69 3a1s s ASN 66 N 0.54 5.89 -0.25 3.58 2.47 0.60 -1.38 114.94 126.38 3a1s s ASN 66 Ca -0.02 -0.84 -0.12 0.00 0.42 0.00 0.00 52.86 52.31 3a1s s ASN 66 Cb -0.14 -2.08 -0.05 0.00 -1.45 0.00 0.00 41.25 37.53 3a1s s ASN 66 CO 0.02 -0.37 0.23 -0.22 -3.72 0.00 0.00 177.10 173.05 3a1s s LEU 67 N 1.63 4.08 -0.26 3.21 2.96 0.49 -0.86 118.68 129.92 3a1s s LEU 67 Ca 0.04 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 3a1s s LEU 67 Cb -0.19 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.30 3a1s s LEU 67 CO 0.08 -0.03 0.00 -0.63 -1.32 0.00 0.00 176.35 174.45 3a1s s ILE 68 N 1.48 3.45 0.01 6.68 1.09 0.66 -0.72 121.20 133.85 3a1s s ILE 68 Ca 0.10 -0.74 -0.27 0.00 -1.10 0.00 0.00 60.65 58.64 3a1s s ILE 68 Cb -0.15 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.49 3a1s s ILE 68 CO 0.08 0.21 0.85 -0.62 -0.10 0.00 0.00 174.94 175.36 3a1s s ASP 69 N 1.44 7.25 0.09 3.58 2.15 -0.53 -0.31 116.67 130.33 3a1s s ASP 69 Ca 0.03 1.50 -0.00 0.00 0.43 0.00 0.00 52.55 54.50 3a1s s ASP 69 Cb -0.16 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 3a1s s ASP 69 CO -0.01 -0.12 0.25 -0.76 -0.17 0.00 0.00 175.17 174.35 3a1s s LEU 70 N 0.53 4.34 0.33 -1.34 1.43 -0.47 -4.34 118.68 119.17 3a1s s LEU 70 Ca 0.44 0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 53.56 3a1s s LEU 70 Cb -0.20 -3.00 -0.13 0.00 0.03 0.00 0.00 46.19 42.89 3a1s s LEU 70 CO 0.24 0.13 1.09 -2.65 0.23 0.00 0.00 176.35 175.39 3a1s n PRO 71 N 0.07 1.59 -1.79 1.29 -0.02 -1.26 -4.80 135.00 130.08 3a1s n PRO 71 Ca -0.05 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 3a1s n PRO 71 Cb 0.52 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 3a1s n PRO 71 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a1s s GLY 72 N -0.52 2.47 -0.10 -1.23 0.00 -1.26 -4.71 107.32 101.97 3a1s s GLY 72 Ca 0.58 1.57 -0.00 0.00 0.00 0.00 0.00 44.72 46.87 3a1s s GLY 72 CO 0.60 2.43 -0.06 -0.51 0.00 0.00 0.00 173.10 175.55 3a1s s THR 73 N -0.49 0.91 -1.06 0.90 -4.23 -0.01 -4.66 115.64 107.01 3a1s s THR 73 Ca 0.59 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 3a1s s THR 73 Cb -0.47 -0.95 0.22 0.00 1.34 0.00 0.00 72.50 72.64 3a1s s THR 73 CO 0.54 0.35 1.13 -0.72 -0.54 0.00 0.00 174.62 175.38 3a1s s TYR 74 N 1.71 3.84 0.00 3.99 1.13 -1.26 -3.73 117.35 123.03 3a1s s TYR 74 Ca 0.04 -2.26 0.00 0.00 -1.41 0.00 0.00 57.07 53.45 3a1s s TYR 74 Cb -0.13 -4.01 0.00 0.00 -1.10 0.00 0.00 41.96 36.72 3a1s s TYR 74 CO -0.07 -1.14 0.00 -1.13 -2.51 0.00 0.00 175.55 170.70 3a1s n SER 75 N 4.17 -0.09 -3.43 -0.18 3.41 -1.26 -4.89 113.62 111.35 3a1s n SER 75 Ca 0.25 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.48 3a1s n SER 75 Cb 0.43 0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 3a1s n SER 75 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a1s n LEU 76 N -0.23 6.76 0.00 1.04 4.77 -1.26 -4.88 117.00 123.20 3a1s n LEU 76 Ca 0.00 -5.41 0.00 0.00 -0.03 0.00 0.00 56.01 50.57 3a1s n LEU 76 Cb 0.00 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3a1s n LEU 76 CO 0.00 2.09 0.00 0.61 -1.33 0.00 0.00 177.39 178.76 3a1s n GLY 77 N -0.14 0.87 2.67 -0.72 0.00 -1.26 -5.05 105.19 101.57 3a1s n GLY 77 Ca 0.44 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 3a1s n GLY 77 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a1s n TYR 78 N 0.00 -1.95 -2.56 1.61 9.36 -1.26 -4.87 117.16 117.49 3a1s n TYR 78 Ca 0.00 -2.21 0.01 0.00 3.32 0.00 0.00 57.90 59.02 3a1s n TYR 78 Cb 0.00 1.23 0.04 0.00 -0.63 0.00 0.00 39.34 39.99 3a1s n TYR 78 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3a1s n SER 79 N -0.21 1.42 -3.63 2.98 7.64 -1.26 -4.91 113.62 115.65 3a1s n SER 79 Ca 0.03 -2.19 -0.01 0.00 1.01 0.00 0.00 58.87 57.71 3a1s n SER 79 Cb 0.79 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 3a1s n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3a1s s SER 80 N -2.83 -0.11 0.13 6.43 0.01 -1.26 -4.99 113.70 111.08 3a1s s SER 80 Ca 0.32 -0.15 -0.22 0.00 1.31 0.00 0.00 55.95 57.22 3a1s s SER 80 Cb 0.36 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 3a1s s SER 80 CO -0.11 -0.41 1.68 0.40 0.41 0.00 0.00 173.24 175.21 3a1s h ILE 81 N 2.00 0.66 -0.60 1.44 2.04 -1.99 -0.41 117.51 120.66 3a1s h ILE 81 Ca -0.24 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.74 3a1s h ILE 81 Cb 1.20 0.66 -0.10 0.00 -0.74 0.00 0.00 36.82 37.84 3a1s h ILE 81 CO 0.27 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.83 3a1s h ASP 82 N -0.14 -0.33 -0.47 1.72 5.19 -2.00 0.11 116.42 120.50 3a1s h ASP 82 Ca 0.09 0.15 -0.14 0.00 -0.62 0.00 0.00 57.03 56.52 3a1s h ASP 82 Cb 0.27 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 3a1s h ASP 82 CO -0.22 -0.13 -0.24 -0.33 -3.12 0.00 0.00 179.24 175.20 3a1s h GLU 83 N 0.09 0.99 -0.86 3.56 5.08 -1.72 -2.84 114.58 118.87 3a1s h GLU 83 Ca 0.31 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3a1s h GLU 83 Cb 0.49 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3a1s h GLU 83 CO -0.53 1.11 0.45 -0.22 -1.00 0.00 0.00 179.01 178.82 3a1s h LYS 84 N 0.84 1.21 -0.71 2.33 1.63 -0.25 -2.70 116.57 118.91 3a1s h LYS 84 Ca 0.10 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 3a1s h LYS 84 Cb 0.82 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 3a1s h LYS 84 CO 0.07 0.89 0.40 0.82 -3.45 0.00 0.00 179.45 178.19 3a1s h ILE 85 N 1.21 1.21 -0.08 2.00 2.04 -0.83 -0.66 117.51 122.41 3a1s h ILE 85 Ca 0.30 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.65 3a1s h ILE 85 Cb 0.05 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3a1s h ILE 85 CO -0.05 0.23 0.02 0.00 0.00 0.00 0.00 178.15 178.36 3a1s h ALA 86 N 1.21 0.08 -0.29 1.87 0.00 -1.25 -0.48 119.26 120.40 3a1s h ALA 86 Ca 0.25 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3a1s h ALA 86 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a1s h ALA 86 CO -0.04 -0.45 -0.15 -0.09 0.00 0.00 0.00 179.25 178.52 3a1s h ARG 87 N 0.06 0.61 -0.65 0.00 2.43 -1.34 -1.93 114.38 113.56 3a1s h ARG 87 Ca 0.03 -0.27 0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3a1s h ARG 87 Cb 0.02 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 3a1s h ARG 87 CO -0.04 0.85 0.28 -0.44 -1.51 0.00 0.00 179.97 179.11 3a1s h ASP 88 N 0.36 0.32 -0.43 -3.80 3.32 -1.05 -0.61 116.42 114.53 3a1s h ASP 88 Ca 0.06 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3a1s h ASP 88 Cb 0.68 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3a1s h ASP 88 CO 0.04 0.18 -0.09 0.22 -1.72 0.00 0.00 179.24 177.88 3a1s h TYR 89 N 0.48 0.91 -0.75 4.55 3.20 -0.93 0.20 116.97 124.63 3a1s h TYR 89 Ca 0.32 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3a1s h TYR 89 Cb 0.38 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3a1s h TYR 89 CO -0.14 0.92 0.29 -0.07 -1.64 0.00 0.00 178.16 177.52 3a1s h LEU 90 N 0.64 1.04 0.12 2.82 3.38 -0.95 0.14 115.31 122.50 3a1s h LEU 90 Ca 0.11 -0.16 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 3a1s h LEU 90 Cb 0.62 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3a1s h LEU 90 CO 0.04 0.93 -1.50 -0.07 0.09 0.00 0.00 178.44 177.93 3a1s h LEU 91 N 1.10 0.41 -0.45 1.67 3.38 -0.99 -3.41 115.31 117.01 3a1s h LEU 91 Ca 0.25 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3a1s h LEU 91 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3a1s h LEU 91 CO -0.02 1.45 0.00 0.29 0.09 0.00 0.00 178.44 180.25 3a1s n LYS 92 N -3.47 1.31 -0.56 1.13 5.02 0.69 -4.94 118.16 117.35 3a1s n LYS 92 Ca -0.16 -0.23 -0.09 0.00 -2.02 0.00 0.00 58.31 55.82 3a1s n LYS 92 Cb 1.04 -0.67 0.06 0.00 -0.02 0.00 0.00 35.03 35.44 3a1s n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1s n GLY 93 N 0.25 -1.30 1.37 0.72 0.00 0.50 -4.97 105.19 101.77 3a1s n GLY 93 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.37 3a1s n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1s n ASP 94 N -3.27 4.12 -4.74 1.61 5.75 -1.26 -4.99 116.55 113.76 3a1s n ASP 94 Ca 0.05 -3.20 -0.41 0.00 -0.01 0.00 0.00 54.79 51.22 3a1s n ASP 94 Cb 0.17 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 39.59 3a1s n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a1s s ALA 95 N -2.95 3.44 0.07 2.12 0.00 -1.26 -4.77 121.76 118.40 3a1s s ALA 95 Ca 0.48 0.96 0.14 0.00 0.00 0.00 0.00 51.96 53.54 3a1s s ALA 95 Cb 0.39 -3.40 0.25 0.00 0.00 0.00 0.00 23.12 20.36 3a1s s ALA 95 CO 0.09 -0.35 1.53 -0.44 0.00 0.00 0.00 175.76 176.60 3a1s h ASP 96 N 4.78 0.00 -5.19 0.00 3.32 -1.01 -3.48 116.42 114.84 3a1s h ASP 96 Ca -0.45 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.74 3a1s h ASP 96 Cb 1.21 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 3a1s h ASP 96 CO 0.72 0.59 0.40 -1.48 -1.72 0.00 0.00 179.24 177.75 3a1s s LEU 97 N -6.87 -0.22 -0.05 1.55 2.34 -1.13 -4.71 118.68 109.58 3a1s s LEU 97 Ca 0.01 -0.44 0.06 0.00 0.06 0.00 0.00 54.13 53.83 3a1s s LEU 97 Cb 0.10 2.33 -0.01 0.00 -0.56 0.00 0.00 46.19 48.05 3a1s s LEU 97 CO 0.74 -1.02 -0.23 -0.69 -1.06 0.00 0.00 176.35 174.09 3a1s s VAL 98 N -3.48 1.90 -0.27 1.48 1.01 0.13 -1.73 120.40 119.45 3a1s s VAL 98 Ca 0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 3a1s s VAL 98 Cb -0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3a1s s VAL 98 CO 0.03 0.53 0.11 -0.63 0.00 0.00 0.00 175.10 175.14 3a1s s ILE 99 N -0.20 4.57 -0.34 2.22 1.01 0.78 -0.79 121.20 128.45 3a1s s ILE 99 Ca -0.01 -0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 3a1s s ILE 99 Cb -0.12 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3a1s s ILE 99 CO 0.02 0.27 0.73 -0.22 0.00 0.00 0.00 174.94 175.74 3a1s s LEU 100 N 1.64 4.15 -0.26 2.97 1.98 -0.02 -0.99 118.68 128.16 3a1s s LEU 100 Ca 0.06 0.37 -0.19 0.00 -2.89 0.00 0.00 54.13 51.48 3a1s s LEU 100 Cb -0.16 -2.95 -0.02 0.00 0.66 0.00 0.00 46.19 43.73 3a1s s LEU 100 CO 0.06 -0.64 0.59 -0.69 -1.89 0.00 0.00 176.35 173.78 3a1s s VAL 101 N 2.91 5.01 0.03 1.68 1.01 0.01 -1.03 120.40 130.01 3a1s s VAL 101 Ca 0.29 1.01 0.08 0.00 0.00 0.00 0.00 61.98 63.37 3a1s s VAL 101 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3a1s s VAL 101 CO 0.15 0.03 -0.24 0.00 0.00 0.00 0.00 175.10 175.04 3a1s s ALA 102 N 2.45 2.35 -0.43 5.51 0.00 0.27 -4.52 121.76 127.38 3a1s s ALA 102 Ca 0.24 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 3a1s s ALA 102 Cb -0.15 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.41 3a1s s ALA 102 CO 0.09 0.54 1.10 0.34 0.00 0.00 0.00 175.76 177.84 3a1s s ASP 103 N -1.16 6.71 0.47 0.00 -1.08 -1.26 -0.75 116.67 119.61 3a1s s ASP 103 Ca 0.12 0.62 0.19 0.00 -0.52 0.00 0.00 52.55 52.96 3a1s s ASP 103 Cb -0.10 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 39.99 3a1s s ASP 103 CO 0.02 -1.12 2.03 0.77 0.52 0.00 0.00 175.17 177.38 3a1s h SER 104 N 8.87 0.00 1.17 -0.34 4.64 -1.70 -2.03 113.55 124.16 3a1s h SER 104 Ca -0.22 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.98 3a1s h SER 104 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3a1s h SER 104 CO 1.09 0.16 -0.87 0.58 -0.87 0.00 0.00 176.83 176.92 3a1s h VAL 105 N 0.00 0.65 -2.03 0.95 2.07 -1.85 -3.39 116.25 112.65 3a1s h VAL 105 Ca -0.00 -2.02 -0.56 0.00 0.82 0.00 0.00 66.70 64.94 3a1s h VAL 105 Cb 0.31 2.20 -0.40 0.00 -1.52 0.00 0.00 31.29 31.89 3a1s h VAL 105 CO 0.02 0.37 -1.03 0.59 0.02 0.00 0.00 177.57 177.54 3a1s n ASN 106 N -3.06 0.83 0.14 0.57 3.02 -0.93 -5.00 115.26 110.84 3a1s n ASN 106 Ca -0.03 -2.85 0.12 0.00 -0.03 0.00 0.00 54.58 51.80 3a1s n ASN 106 Cb 0.76 -0.64 0.27 0.00 -0.61 0.00 0.00 39.78 39.55 3a1s n ASN 106 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3a1s h PRO 107 N 3.93 0.00 0.19 3.52 0.13 -1.59 -3.41 132.00 134.78 3a1s h PRO 107 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3a1s h PRO 107 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3a1s h PRO 107 CO 0.53 0.00 -0.09 0.93 -0.23 0.00 0.00 178.00 179.13 3a1s h GLU 108 N 0.00 -0.25 -0.76 0.86 5.08 -1.95 -1.13 114.58 116.43 3a1s h GLU 108 Ca 0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3a1s h GLU 108 Cb 0.85 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3a1s h GLU 108 CO 0.00 -0.16 0.45 1.96 -1.00 0.00 0.00 179.01 180.25 3a1s h GLN 109 N -0.26 1.04 -0.50 2.33 4.20 -1.98 -2.28 115.11 117.65 3a1s h GLN 109 Ca -0.03 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3a1s h GLN 109 Cb 0.20 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3a1s h GLN 109 CO 0.04 0.74 0.23 0.77 -0.67 0.00 0.00 178.83 179.95 3a1s h SER 110 N 1.05 0.67 -0.06 1.46 0.02 -1.70 -1.84 113.55 113.14 3a1s h SER 110 Ca 0.27 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3a1s h SER 110 Cb -0.02 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3a1s h SER 110 CO -0.05 0.62 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.95 3a1s h LEU 111 N 0.67 0.48 -0.15 5.07 3.38 -0.95 0.57 115.31 124.38 3a1s h LEU 111 Ca 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3a1s h LEU 111 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3a1s h LEU 111 CO -0.02 0.71 0.09 0.22 0.09 0.00 0.00 178.44 179.54 3a1s h TYR 112 N 0.43 0.20 -0.82 1.13 5.03 -1.12 -1.88 116.97 119.93 3a1s h TYR 112 Ca 0.07 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.39 3a1s h TYR 112 Cb 0.64 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.81 3a1s h TYR 112 CO 0.02 0.17 0.54 1.25 -1.32 0.00 0.00 178.16 178.82 3a1s h LEU 113 N 0.17 0.92 -0.52 2.82 5.85 -1.02 -2.49 115.31 121.05 3a1s h LEU 113 Ca 0.05 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3a1s h LEU 113 Cb 0.03 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3a1s h LEU 113 CO -0.01 0.66 0.19 0.25 -0.34 0.00 0.00 178.44 179.19 3a1s h LEU 114 N 1.09 0.20 -0.93 2.25 5.85 -0.62 -2.18 115.31 120.97 3a1s h LEU 114 Ca 0.31 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.13 3a1s h LEU 114 Cb -0.09 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 3a1s h LEU 114 CO -0.08 0.14 0.60 -0.07 -0.34 0.00 0.00 178.44 178.69 3a1s h LEU 115 N 0.37 1.00 -0.67 2.25 3.38 -0.89 0.58 115.31 121.32 3a1s h LEU 115 Ca 0.25 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3a1s h LEU 115 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3a1s h LEU 115 CO -0.25 0.68 0.41 -0.08 0.09 0.00 0.00 178.44 179.29 3a1s h GLU 116 N 1.16 0.92 -0.11 1.13 4.57 -1.22 -2.80 114.58 118.24 3a1s h GLU 116 Ca 0.38 -0.08 -0.18 0.00 -1.18 0.00 0.00 59.36 58.29 3a1s h GLU 116 Cb 0.03 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3a1s h GLU 116 CO -0.13 0.65 -0.69 0.82 -1.18 0.00 0.00 179.01 178.49 3a1s h ILE 117 N 0.92 1.36 0.00 2.32 2.04 -0.79 -2.99 117.51 120.36 3a1s h ILE 117 Ca 0.24 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.04 3a1s h ILE 117 Cb -0.03 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3a1s h ILE 117 CO -0.05 0.62 -0.08 -0.07 0.00 0.00 0.00 178.15 178.57 3a1s h LEU 118 N 0.32 0.00 -4.83 1.44 3.38 -0.70 -3.35 115.31 111.58 3a1s h LEU 118 Ca -0.02 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.52 3a1s h LEU 118 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3a1s h LEU 118 CO 0.12 0.08 2.21 -0.62 0.09 0.00 0.00 178.44 180.32 3a1s n GLU 119 N -4.23 2.65 -2.17 1.13 1.02 -1.07 -4.58 120.64 113.39 3a1s n GLU 119 Ca -0.03 -1.57 -0.02 0.00 -0.02 0.00 0.00 57.16 55.52 3a1s n GLU 119 Cb 0.16 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 3a1s n GLU 119 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3a1s n GLU 121 N 3.40 0.22 -4.35 3.49 2.13 -1.26 -4.33 120.64 119.95 3a1s n GLU 121 Ca 0.57 -0.46 -0.24 0.00 0.66 0.00 0.00 57.16 57.69 3a1s n GLU 121 Cb 0.39 0.03 -0.08 0.00 0.27 0.00 0.00 31.44 32.05 3a1s n GLU 121 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3a1s s LYS 122 N 0.03 2.09 0.02 5.31 -0.14 -1.26 -5.01 119.74 120.78 3a1s s LYS 122 Ca 0.03 -1.51 -0.30 0.00 -1.36 0.00 0.00 55.97 52.82 3a1s s LYS 122 Cb 0.07 -2.05 -0.06 0.00 -1.68 0.00 0.00 37.83 34.11 3a1s s LYS 122 CO -0.02 0.36 1.51 0.15 -0.76 0.00 0.00 175.35 176.59 3a1s s LYS 123 N -3.56 4.24 -0.03 1.68 1.02 -1.26 -4.95 119.74 116.89 3a1s s LYS 123 Ca 0.30 2.11 0.02 0.00 0.02 0.00 0.00 55.97 58.42 3a1s s LYS 123 Cb -0.06 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 3a1s s LYS 123 CO 0.18 -0.65 -0.08 0.08 -0.92 0.00 0.00 175.35 173.96 3a1s s VAL 124 N 2.62 0.72 -0.09 3.17 1.01 -1.26 -0.69 120.40 125.87 3a1s s VAL 124 Ca 0.68 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3a1s s VAL 124 Cb -0.34 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3a1s s VAL 124 CO 0.29 0.23 -0.11 -0.63 0.00 0.00 0.00 175.10 174.88 3a1s s ILE 125 N 0.22 3.32 -0.33 2.22 1.01 0.03 -4.27 121.20 123.41 3a1s s ILE 125 Ca -0.03 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3a1s s ILE 125 Cb -0.08 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3a1s s ILE 125 CO 0.00 0.56 0.59 -0.22 0.00 0.00 0.00 174.94 175.88 3a1s s LEU 126 N -0.26 4.22 0.00 2.97 2.96 -0.36 -0.84 118.68 127.37 3a1s s LEU 126 Ca 0.02 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 3a1s s LEU 126 Cb -0.13 -2.74 0.01 0.00 0.50 0.00 0.00 46.19 43.84 3a1s s LEU 126 CO 0.03 -0.50 0.10 0.00 -1.32 0.00 0.00 176.35 174.65 3a1s n ALA 127 N 5.88 0.16 -3.92 5.97 0.00 -0.20 -0.66 120.51 127.73 3a1s n ALA 127 Ca -0.02 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.16 3a1s n ALA 127 Cb 0.49 0.08 0.01 0.00 0.00 0.00 0.00 19.45 20.03 3a1s n ALA 127 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3a1s s THR 129 N 0.37 0.00 -1.54 0.00 -1.32 0.07 -0.57 115.64 112.65 3a1s s THR 129 Ca 0.07 -0.20 -0.04 0.00 -1.21 0.00 0.00 61.69 60.31 3a1s s THR 129 Cb -0.01 -2.81 0.01 0.00 -1.51 0.00 0.00 72.50 68.19 3a1s s THR 129 CO 0.05 0.00 0.46 0.00 -2.21 0.00 0.00 174.62 172.92 3a1s n ALA 130 N -0.83 -0.92 0.28 11.08 0.00 -0.89 -1.96 120.51 127.28 3a1s n ALA 130 Ca 0.01 0.23 0.17 0.00 0.00 0.00 0.00 53.44 53.86 3a1s n ALA 130 Cb 0.59 -3.36 0.76 0.00 0.00 0.00 0.00 19.45 17.45 3a1s n ALA 130 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a1s h ILE 131 N -1.04 0.15 -0.58 0.00 6.09 -1.74 -1.70 117.51 118.70 3a1s h ILE 131 Ca -0.50 -0.50 -0.04 0.00 -1.37 0.00 0.00 64.86 62.45 3a1s h ILE 131 Cb 1.35 1.43 -0.03 0.00 0.47 0.00 0.00 36.82 40.04 3a1s h ILE 131 CO 0.56 0.04 0.21 -2.24 -3.07 0.00 0.00 178.15 173.65 3a1s h ASP 132 N 0.00 0.78 0.24 2.19 2.03 -1.89 -0.38 116.42 119.38 3a1s h ASP 132 Ca -0.00 -0.11 -0.24 0.00 -0.73 0.00 0.00 57.03 55.95 3a1s h ASP 132 Cb 0.43 -0.20 0.01 0.00 -0.83 0.00 0.00 39.33 38.73 3a1s h ASP 132 CO 0.01 0.72 -1.00 -0.08 -1.03 0.00 0.00 179.24 177.86 3a1s h GLU 133 N 0.84 0.50 -0.42 4.15 4.57 -1.71 -2.18 114.58 120.33 3a1s h GLU 133 Ca 0.20 -0.55 0.05 0.00 -1.18 0.00 0.00 59.36 57.87 3a1s h GLU 133 Cb 0.20 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 3a1s h GLU 133 CO -0.01 1.19 0.15 0.00 -1.18 0.00 0.00 179.01 179.15 3a1s h ALA 134 N 0.62 0.50 -0.68 2.92 0.00 -1.18 -0.53 119.26 120.91 3a1s h ALA 134 Ca -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a1s h ALA 134 Cb 1.64 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3a1s h ALA 134 CO 0.18 -0.24 0.30 0.87 0.00 0.00 0.00 179.25 180.36 3a1s h LYS 135 N 0.31 1.00 -0.01 0.00 1.57 -1.03 -2.71 116.57 115.70 3a1s h LYS 135 Ca 0.20 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3a1s h LYS 135 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3a1s h LYS 135 CO -0.20 0.81 -0.58 0.87 -0.57 0.00 0.00 179.45 179.78 3a1s h LYS 136 N 0.96 0.02 -0.12 3.15 1.57 -1.04 -2.81 116.57 118.29 3a1s h LYS 136 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3a1s h LYS 136 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3a1s h LYS 136 CO -0.02 0.60 0.00 0.25 -0.57 0.00 0.00 179.45 179.70 3a1s n THR 137 N -3.86 0.15 -1.54 -0.16 -2.24 -0.24 -5.09 114.28 101.31 3a1s n THR 137 Ca -0.01 -0.29 -0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3a1s n THR 137 Cb 0.58 0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3a1s n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1s n GLY 138 N 1.09 -2.94 3.15 3.38 0.00 -1.04 -5.07 105.19 103.76 3a1s n GLY 138 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.96 3a1s n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1s s LYS 140 N -0.48 0.46 -0.13 1.61 1.02 -0.46 -5.05 119.74 116.70 3a1s s LYS 140 Ca -0.00 0.73 0.01 0.00 0.02 0.00 0.00 55.97 56.73 3a1s s LYS 140 Cb 0.00 0.39 -0.00 0.00 -0.52 0.00 0.00 37.83 37.70 3a1s s LYS 140 CO 0.03 -0.58 -0.17 0.42 -0.92 0.00 0.00 175.35 174.13 3a1s s ILE 141 N 2.88 2.57 -0.53 2.17 1.01 -1.26 -0.93 121.20 127.11 3a1s s ILE 141 Ca 0.15 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 3a1s s ILE 141 Cb -0.12 -2.06 0.09 0.00 0.01 0.00 0.00 42.46 40.38 3a1s s ILE 141 CO -0.20 0.53 0.56 -0.62 0.00 0.00 0.00 174.94 175.21 3a1s s ASP 142 N 0.56 6.18 0.23 3.58 -1.08 -0.15 -4.93 116.67 121.07 3a1s s ASP 142 Ca -0.11 -1.36 -0.07 0.00 -0.52 0.00 0.00 52.55 50.49 3a1s s ASP 142 Cb -0.16 -2.25 0.28 0.00 -1.46 0.00 0.00 42.92 39.33 3a1s s ASP 142 CO 0.04 -0.88 1.85 0.03 0.52 0.00 0.00 175.17 176.73 3a1s h ARG 143 N 8.96 0.92 -0.64 4.34 3.08 -1.98 -1.44 114.38 127.62 3a1s h ARG 143 Ca -0.29 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 3a1s h ARG 143 Cb 1.10 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 3a1s h ARG 143 CO 0.99 0.61 0.32 -0.92 -1.07 0.00 0.00 179.97 179.91 3a1s h TYR 144 N 0.95 0.90 -0.31 3.04 3.20 -1.97 0.21 116.97 122.97 3a1s h TYR 144 Ca 0.34 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 3a1s h TYR 144 Cb 0.10 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3a1s h TYR 144 CO -0.04 0.66 -0.21 0.93 -1.64 0.00 0.00 178.16 177.86 3a1s h GLU 145 N 0.87 0.59 -0.21 1.82 4.39 -1.86 -0.68 114.58 119.51 3a1s h GLU 145 Ca 0.22 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3a1s h GLU 145 Cb 0.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3a1s h GLU 145 CO -0.03 0.77 0.10 -0.07 -1.16 0.00 0.00 179.01 178.62 3a1s h LEU 146 N 0.53 0.27 -0.93 1.33 3.38 -0.67 -1.68 115.31 117.53 3a1s h LEU 146 Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3a1s h LEU 146 Cb 0.66 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3a1s h LEU 146 CO 0.05 0.30 0.56 1.56 0.09 0.00 0.00 178.44 181.00 3a1s h GLN 147 N 0.21 1.27 -0.36 1.13 4.20 -0.74 0.06 115.11 120.88 3a1s h GLN 147 Ca 0.07 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3a1s h GLN 147 Cb 0.10 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3a1s h GLN 147 CO -0.01 0.89 0.22 -0.22 -0.67 0.00 0.00 178.83 179.03 3a1s h LYS 148 N 1.28 0.49 0.00 1.46 3.64 -0.92 0.40 116.57 122.92 3a1s h LYS 148 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3a1s h LYS 148 Cb -0.05 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3a1s h LYS 148 CO -0.06 0.37 -0.29 0.45 -2.27 0.00 0.00 179.45 177.64 3a1s h HIS 149 N 0.47 0.00 0.00 1.91 3.86 -1.06 -3.34 115.15 116.99 3a1s h HIS 149 Ca 0.13 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3a1s h HIS 149 Cb 0.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3a1s h HIS 149 CO -0.04 0.00 -1.62 1.28 0.86 0.00 0.00 177.93 178.41 3a1s n LEU 150 N -2.85 0.00 -1.05 2.43 4.77 -0.01 -5.02 117.00 115.27 3a1s n LEU 150 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3a1s n LEU 150 Cb 0.52 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3a1s n LEU 150 CO 0.35 0.04 -0.12 0.61 -1.33 0.00 0.00 177.39 176.93 3a1s n GLY 151 N 1.82 0.76 3.19 -0.72 0.00 0.14 -4.94 105.19 105.43 3a1s n GLY 151 Ca -0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 3a1s n GLY 151 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1s s ILE 152 N -2.48 0.65 0.32 -0.61 -4.36 -1.25 -3.58 121.20 109.89 3a1s s ILE 152 Ca 0.00 -1.94 -0.29 0.00 -0.26 0.00 0.00 60.65 58.16 3a1s s ILE 152 Cb 0.00 -1.81 -0.11 0.00 1.25 0.00 0.00 42.46 41.79 3a1s s ILE 152 CO 0.00 -0.75 1.45 -2.84 0.24 0.00 0.00 174.94 173.03 3a1s s PRO 153 N -3.87 4.21 -0.08 0.37 0.02 -1.26 -4.56 135.00 129.83 3a1s s PRO 153 Ca 0.15 2.41 0.04 0.00 0.02 0.00 0.00 61.00 63.62 3a1s s PRO 153 Cb 0.06 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.54 3a1s s PRO 153 CO -0.02 -0.44 -0.19 0.08 -0.33 0.00 0.00 177.00 176.10 3a1s s VAL 154 N -0.62 1.66 -0.07 3.83 1.01 -1.26 -1.22 120.40 123.73 3a1s s VAL 154 Ca 0.55 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3a1s s VAL 154 Cb -0.44 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3a1s s VAL 154 CO 0.53 0.47 -0.14 -0.69 0.00 0.00 0.00 175.10 175.26 3a1s s VAL 155 N 0.39 1.31 -0.14 2.92 1.01 0.17 -4.99 120.40 121.07 3a1s s VAL 155 Ca -0.15 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 3a1s s VAL 155 Cb -0.16 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3a1s s VAL 155 CO 0.06 0.39 0.59 -0.36 0.00 0.00 0.00 175.10 175.78 3a1s s PHE 156 N 0.59 3.46 0.17 5.22 0.40 -1.26 -4.25 117.98 122.30 3a1s s PHE 156 Ca -0.15 0.97 0.07 0.00 -0.60 0.00 0.00 56.93 57.22 3a1s s PHE 156 Cb -0.16 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 3a1s s PHE 156 CO 0.05 -0.01 -0.15 0.95 0.70 0.00 0.00 175.22 176.76 3a1s s THR 157 N 1.25 1.58 -0.05 0.64 -4.23 -1.26 -3.81 115.64 109.75 3a1s s THR 157 Ca 0.29 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 3a1s s THR 157 Cb -0.16 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 71.87 3a1s s THR 157 CO 0.12 -0.50 0.02 -0.55 -0.54 0.00 0.00 174.62 173.17 3a1s s SER 158 N -2.92 1.20 0.05 3.99 0.15 0.28 -1.75 113.70 114.70 3a1s s SER 158 Ca 0.17 -0.01 0.22 0.00 0.70 0.00 0.00 55.95 57.02 3a1s s SER 158 Cb -0.03 -0.29 0.91 0.00 -1.71 0.00 0.00 66.02 64.91 3a1s s SER 158 CO 0.05 -0.20 1.70 -1.20 1.20 0.00 0.00 173.24 174.79 3a1s n SER 159 N 5.01 0.17 -0.08 5.45 7.64 -1.26 -0.61 113.62 129.94 3a1s n SER 159 Ca -0.09 0.53 -0.21 0.00 1.01 0.00 0.00 58.87 60.11 3a1s n SER 159 Cb 0.50 -0.57 -0.12 0.00 -1.01 0.00 0.00 64.21 63.01 3a1s n SER 159 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3a1s h VAL 160 N 0.00 1.02 0.00 0.44 2.07 -1.95 -3.41 116.25 114.42 3a1s h VAL 160 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 3a1s h VAL 160 Cb 0.41 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3a1s h VAL 160 CO 0.00 0.44 -1.64 0.35 0.02 0.00 0.00 177.57 176.74 3a1s n THR 161 N -4.33 0.16 -0.45 2.57 -2.24 -1.23 -4.97 114.28 103.80 3a1s n THR 161 Ca -0.28 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3a1s n THR 161 Cb 0.71 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3a1s n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1s n GLY 162 N 1.26 0.89 3.65 3.38 0.00 0.22 -5.02 105.19 109.58 3a1s n GLY 162 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 3a1s n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a1s n GLU 163 N -2.00 1.90 -0.02 1.61 2.13 -1.22 -2.52 120.64 120.51 3a1s n GLU 163 Ca 0.00 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.50 3a1s n GLU 163 Cb 0.00 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.36 3a1s n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1s n GLY 164 N 2.52 2.63 0.19 8.31 0.00 -1.25 -0.56 105.19 117.03 3a1s n GLY 164 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3a1s n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1s h LEU 165 N 0.00 0.56 -0.72 0.99 3.38 -1.78 0.91 115.31 118.66 3a1s h LEU 165 Ca 0.00 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 3a1s h LEU 165 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3a1s h LEU 165 CO 0.00 0.74 -0.30 -0.33 0.09 0.00 0.00 178.44 178.65 3a1s h GLU 166 N 0.37 0.66 -0.78 1.13 4.39 -1.90 -1.85 114.58 116.59 3a1s h GLU 166 Ca 0.09 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 3a1s h GLU 166 Cb 0.46 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3a1s h GLU 166 CO 0.02 0.88 0.30 1.49 -1.16 0.00 0.00 179.01 180.54 3a1s h GLU 167 N 0.56 1.17 -0.44 2.33 4.81 -1.90 -1.17 114.58 119.95 3a1s h GLU 167 Ca 0.07 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3a1s h GLU 167 Cb 0.79 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3a1s h GLU 167 CO 0.06 0.95 0.22 1.25 -0.73 0.00 0.00 179.01 180.77 3a1s h LEU 168 N 1.14 0.56 -0.70 1.64 5.85 -0.52 -1.40 115.31 121.88 3a1s h LEU 168 Ca 0.26 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3a1s h LEU 168 Cb 0.23 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3a1s h LEU 168 CO -0.02 0.52 0.44 0.11 -0.34 0.00 0.00 178.44 179.14 3a1s h LYS 169 N 0.57 0.95 -0.64 1.25 1.57 -1.02 -0.56 116.57 118.69 3a1s h LYS 169 Ca 0.15 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3a1s h LYS 169 Cb 0.09 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3a1s h LYS 169 CO -0.02 0.66 0.41 1.49 -0.57 0.00 0.00 179.45 181.42 3a1s h GLU 170 N 0.96 0.79 -0.28 3.15 4.57 -0.95 -2.30 114.58 120.52 3a1s h GLU 170 Ca 0.25 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.29 3a1s h GLU 170 Cb -0.05 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 3a1s h GLU 170 CO -0.05 0.52 -0.22 0.87 -1.18 0.00 0.00 179.01 178.95 3a1s h LYS 171 N 0.81 0.53 0.25 1.92 1.79 -0.75 -1.18 116.57 119.94 3a1s h LYS 171 Ca 0.25 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3a1s h LYS 171 Cb -0.03 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3a1s h LYS 171 CO -0.08 0.72 -0.13 0.82 -1.08 0.00 0.00 179.45 179.70 3a1s h ILE 172 N 0.47 0.73 -0.28 1.86 2.04 -0.73 0.31 117.51 121.92 3a1s h ILE 172 Ca 0.07 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 3a1s h ILE 172 Cb 0.65 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3a1s h ILE 172 CO 0.05 0.00 -0.35 -0.37 0.00 0.00 0.00 178.15 177.47 3a1s h VAL 173 N -0.35 1.29 -0.11 1.67 -1.51 -1.28 -1.31 116.25 114.64 3a1s h VAL 173 Ca -0.03 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 63.93 3a1s h VAL 173 Cb 0.28 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3a1s h VAL 173 CO 0.04 0.48 0.01 -0.08 -1.23 0.00 0.00 177.57 176.79 3a1s h GLU 174 N 0.52 0.19 -0.07 5.19 4.81 -1.13 -3.13 114.58 120.96 3a1s h GLU 174 Ca 0.05 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3a1s h GLU 174 Cb 0.85 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3a1s h GLU 174 CO 0.07 0.41 -0.42 -0.92 -0.73 0.00 0.00 179.01 177.42 3a1s h TYR 175 N -0.06 0.17 0.00 0.92 5.03 -0.86 -3.07 116.97 119.11 3a1s h TYR 175 Ca 0.03 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 3a1s h TYR 175 Cb 0.32 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 3a1s h TYR 175 CO 0.02 0.55 -0.14 0.00 -1.32 0.00 0.00 178.16 177.28 3a1s h ALA 176 N 1.44 1.66 -0.55 1.82 0.00 -1.18 -2.52 119.26 119.93 3a1s h ALA 176 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a1s h ALA 176 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a1s h ALA 176 CO 0.06 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3a1s n GLN 177 N -4.21 2.61 -2.41 0.00 10.64 -1.16 -4.93 117.38 117.92 3a1s n GLN 177 Ca -0.02 -2.46 -0.34 0.00 -1.83 0.00 0.00 57.00 52.34 3a1s n GLN 177 Cb 0.21 -1.54 -0.02 0.00 -0.86 0.00 0.00 30.24 28.03 3a1s n GLN 177 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3a1s s LYS 178 N -1.25 3.67 0.02 2.61 1.02 -0.95 -4.99 119.74 119.87 3a1s s LYS 178 Ca 0.43 1.33 -0.13 0.00 0.02 0.00 0.00 55.97 57.62 3a1s s LYS 178 Cb 0.24 -2.08 -0.34 0.00 -0.52 0.00 0.00 37.83 35.13 3a1s s LYS 178 CO 0.32 -0.54 0.96 -2.95 -0.92 0.00 0.00 175.35 172.23 3a1s h ASN 179 N 1.27 0.76 -1.03 2.83 -1.07 -1.92 -3.48 115.58 112.95 3a1s h ASN 179 Ca -0.49 -0.86 -0.64 0.00 0.07 0.00 0.00 56.30 54.38 3a1s h ASN 179 Cb 1.22 -0.25 -0.12 0.00 -2.07 0.00 0.00 38.32 37.11 3a1s h ASN 179 CO 0.59 1.68 -0.53 0.42 0.07 0.00 0.00 177.43 179.65 3a1s s THR 180 N -2.60 1.65 0.35 6.14 -4.23 -1.26 -5.12 115.64 110.57 3a1s s THR 180 Ca -0.09 -1.93 -0.25 0.00 -1.18 0.00 0.00 61.69 58.23 3a1s s THR 180 Cb 0.05 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 71.20 3a1s s THR 180 CO 0.93 0.00 0.98 -0.63 -0.54 0.00 0.00 174.62 175.35 3a1s s ILE 181 N -2.77 4.07 0.07 2.99 -1.09 -1.26 -4.99 121.20 118.22 3a1s s ILE 181 Ca 0.23 1.65 -0.10 0.00 -2.23 0.00 0.00 60.65 60.21 3a1s s ILE 181 Cb 0.05 -3.89 -0.28 0.00 -1.58 0.00 0.00 42.46 36.77 3a1s s ILE 181 CO 0.12 0.07 1.14 -0.07 -1.23 0.00 0.00 174.94 174.98 3a1s h LEU 182 N 2.91 0.67 0.00 2.97 3.38 -1.93 -3.52 115.31 119.79 3a1s h LEU 182 Ca -0.47 -0.64 -0.13 0.00 0.09 0.00 0.00 57.88 56.73 3a1s h LEU 182 Cb 1.20 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.76 3a1s h LEU 182 CO 0.64 1.47 0.02 0.00 0.09 0.00 0.00 178.44 180.66 3a1s n HIS 183 N -3.69 -3.19 0.00 1.13 1.44 -1.23 -4.97 115.22 104.70 3a1s n HIS 183 Ca -0.11 -0.49 0.00 0.00 -2.01 0.00 0.00 57.72 55.11 3a1s n HIS 183 Cb 0.98 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.90 3a1s n HIS 183 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 3a1s n ILE 186 N -1.71 0.00 -3.09 0.61 0.13 -1.26 -5.03 119.36 109.01 3a1s n ILE 186 Ca 0.04 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.28 3a1s n ILE 186 Cb 0.16 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.90 3a1s n ILE 186 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 3a1s s LEU 187 N 0.00 4.12 -0.14 9.51 2.96 -1.26 -5.02 118.68 128.84 3a1s s LEU 187 Ca 0.00 0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 3a1s s LEU 187 Cb 0.00 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 3a1s s LEU 187 CO 0.00 -0.47 1.53 -0.62 -1.32 0.00 0.00 176.35 175.47 3a1s s ASP 188 N 1.59 6.66 0.00 3.68 2.15 -1.26 -4.89 116.67 124.59 3a1s s ASP 188 Ca 0.26 1.87 0.23 0.00 0.43 0.00 0.00 52.55 55.34 3a1s s ASP 188 Cb -0.15 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.50 3a1s s ASP 188 CO 0.11 -0.99 1.49 -1.22 -0.17 0.00 0.00 175.17 174.39 3a1s n TYR 189 N 7.40 0.79 0.00 -5.34 4.01 -1.26 -5.06 117.16 117.70 3a1s n TYR 189 Ca 0.17 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 3a1s n TYR 189 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 3a1s n TYR 189 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a1s n GLY 190 N 1.60 1.44 0.17 2.72 0.00 -1.26 -4.49 105.19 105.37 3a1s n GLY 190 Ca 0.22 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 3a1s n GLY 190 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a1s h GLU 191 N 0.00 -0.27 0.41 1.61 5.08 -1.98 -0.59 114.58 118.84 3a1s h GLU 191 Ca 0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3a1s h GLU 191 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3a1s h GLU 191 CO 0.00 -0.18 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.28 3a1s h LYS 192 N -0.28 -0.71 -0.53 2.33 1.63 -2.00 -0.05 116.57 116.97 3a1s h LYS 192 Ca 0.01 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3a1s h LYS 192 Cb 0.27 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3a1s h LYS 192 CO -0.04 -0.48 0.22 0.28 -3.45 0.00 0.00 179.45 175.98 3a1s h VAL 193 N -0.74 1.22 -0.80 2.00 2.07 -1.78 -1.50 116.25 116.71 3a1s h VAL 193 Ca -0.04 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3a1s h VAL 193 Cb 0.64 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3a1s h VAL 193 CO -0.01 0.25 0.44 -0.33 0.02 0.00 0.00 177.57 177.94 3a1s h GLU 194 N 0.72 1.12 -0.32 1.57 4.39 -0.98 0.20 114.58 121.27 3a1s h GLU 194 Ca 0.18 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3a1s h GLU 194 Cb 0.19 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3a1s h GLU 194 CO -0.02 0.82 0.15 1.03 -1.16 0.00 0.00 179.01 179.83 3a1s h SER 195 N 1.12 0.43 -0.66 1.42 0.87 -0.64 -1.81 113.55 114.29 3a1s h SER 195 Ca 0.28 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 3a1s h SER 195 Cb 0.03 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3a1s h SER 195 CO -0.05 0.44 0.16 -0.33 -0.53 0.00 0.00 176.83 176.53 3a1s h GLU 196 N 0.39 1.07 -0.72 2.24 4.39 -0.68 -1.57 114.58 119.70 3a1s h GLU 196 Ca 0.11 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.58 3a1s h GLU 196 Cb 0.13 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3a1s h GLU 196 CO -0.01 0.94 0.47 0.82 -1.16 0.00 0.00 179.01 180.07 3a1s h ILE 197 N 1.02 1.16 -0.29 3.13 2.04 -0.85 -1.11 117.51 122.60 3a1s h ILE 197 Ca 0.21 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3a1s h ILE 197 Cb 0.36 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3a1s h ILE 197 CO 0.00 0.17 0.11 0.11 0.00 0.00 0.00 178.15 178.55 3a1s h LYS 198 N 0.95 0.25 -0.61 2.37 1.57 -0.72 -0.03 116.57 120.34 3a1s h LYS 198 Ca 0.27 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 3a1s h LYS 198 Cb -0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3a1s h LYS 198 CO -0.07 0.16 0.37 0.87 -0.57 0.00 0.00 179.45 180.22 3a1s h LYS 199 N 0.25 0.72 -0.56 3.15 6.56 -0.90 -0.07 116.57 125.71 3a1s h LYS 199 Ca 0.13 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.62 3a1s h LYS 199 Cb 0.08 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.55 3a1s h LYS 199 CO -0.11 0.47 0.15 0.28 -2.06 0.00 0.00 179.45 178.18 3a1s h VAL 200 N 0.74 1.24 -0.44 0.50 2.07 -0.90 -1.45 116.25 118.01 3a1s h VAL 200 Ca 0.24 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 3a1s h VAL 200 Cb 0.02 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3a1s h VAL 200 CO -0.10 0.32 0.09 -0.33 0.02 0.00 0.00 177.57 177.57 3a1s h GLU 201 N 0.80 0.67 -0.14 1.57 5.08 -0.57 -1.45 114.58 120.53 3a1s h GLU 201 Ca 0.18 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3a1s h GLU 201 Cb 0.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3a1s h GLU 201 CO -0.00 0.62 -0.01 -0.97 -1.00 0.00 0.00 179.01 177.65 3a1s h ASN 202 N 0.65 0.25 0.02 1.42 -1.24 -0.65 -0.64 115.58 115.38 3a1s h ASN 202 Ca 0.15 -0.32 -0.01 0.00 0.71 0.00 0.00 56.30 56.83 3a1s h ASN 202 Cb 0.27 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 3a1s h ASN 202 CO -0.00 0.51 -0.03 0.15 -1.29 0.00 0.00 177.43 176.77 3a1s h PHE 203 N -0.02 0.02 -0.01 0.67 3.04 -1.04 -2.56 116.94 117.04 3a1s h PHE 203 Ca 0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3a1s h PHE 203 Cb 0.38 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.89 3a1s h PHE 203 CO 0.04 0.05 -0.56 1.28 -2.02 0.00 0.00 178.31 177.10 3a1s n LEU 204 N -4.49 1.10 -0.12 0.59 4.77 -0.57 -4.02 117.00 114.26 3a1s n LEU 204 Ca -0.03 -0.36 0.15 0.00 -0.03 0.00 0.00 56.01 55.74 3a1s n LEU 204 Cb 0.12 -0.10 0.53 0.00 -2.33 0.00 0.00 43.42 41.64 3a1s n LEU 204 CO 0.35 0.23 1.20 0.03 -1.33 0.00 0.00 177.39 177.86 3a1s h ARG 205 N 0.85 0.34 -0.10 3.23 2.47 -0.68 -1.69 114.38 118.80 3a1s h ARG 205 Ca 0.00 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 3a1s h ARG 205 Cb 0.56 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3a1s h ARG 205 CO 0.00 0.23 -0.24 0.38 0.56 0.00 0.00 179.97 180.89 3a1s h ASP 206 N 0.35 0.39 -4.15 7.04 3.04 -1.75 -3.45 116.42 117.89 3a1s h ASP 206 Ca 0.33 -0.58 -0.53 0.00 -3.24 0.00 0.00 57.03 53.01 3a1s h ASP 206 Cb 0.79 -0.11 0.13 0.00 -1.04 0.00 0.00 39.33 39.09 3a1s h ASP 206 CO -0.09 0.90 0.42 -0.54 -2.04 0.00 0.00 179.24 177.89 3a1s s LYS 207 N -3.92 2.60 -0.80 4.15 -0.14 -0.64 -4.98 119.74 116.01 3a1s s LYS 207 Ca -0.14 1.70 0.02 0.00 -1.36 0.00 0.00 55.97 56.19 3a1s s LYS 207 Cb 0.04 -1.90 0.24 0.00 -1.68 0.00 0.00 37.83 34.54 3a1s s LYS 207 CO 0.77 -1.47 0.86 1.63 -0.76 0.00 0.00 175.35 176.37 3a1s n LYS 208 N -2.23 2.82 -3.85 1.68 5.02 -1.26 -4.98 118.16 115.36 3a1s n LYS 208 Ca 0.13 -4.58 -0.25 0.00 -2.02 0.00 0.00 58.31 51.59 3a1s n LYS 208 Cb 0.50 -2.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.14 3a1s n LYS 208 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3a1s s LEU 209 N -2.11 4.28 -0.50 -0.35 0.05 -1.26 -5.02 118.68 113.78 3a1s s LEU 209 Ca 0.33 0.22 0.03 0.00 0.05 0.00 0.00 54.13 54.76 3a1s s LEU 209 Cb 0.05 -2.99 0.57 0.00 -2.05 0.00 0.00 46.19 41.77 3a1s s LEU 209 CO -0.04 -0.02 1.88 -2.11 -0.55 0.00 0.00 176.35 175.50 3a1s n ARG 210 N -0.87 2.40 -4.61 1.48 -4.01 -1.26 -4.90 116.66 104.89 3a1s n ARG 210 Ca -0.07 -3.17 -0.24 0.00 -1.04 0.00 0.00 57.85 53.34 3a1s n ARG 210 Cb 0.55 -2.18 -0.14 0.00 -3.04 0.00 0.00 32.46 27.65 3a1s n ARG 210 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 3a1s s ILE 211 N -3.83 1.44 -0.01 8.89 -1.09 -1.26 -4.95 121.20 120.38 3a1s s ILE 211 Ca 0.58 -1.03 -0.35 0.00 -2.23 0.00 0.00 60.65 57.62 3a1s s ILE 211 Cb 0.48 -1.25 -0.13 0.00 -1.58 0.00 0.00 42.46 39.98 3a1s s ILE 211 CO 0.06 0.20 1.73 -3.20 -1.23 0.00 0.00 174.94 172.49 3a1s n ASN 212 N 2.06 3.10 -0.14 3.58 2.85 -1.26 -4.86 115.26 120.60 3a1s n ASN 212 Ca -0.17 1.03 0.03 0.00 -0.11 0.00 0.00 54.58 55.37 3a1s n ASN 212 Cb 0.54 -1.35 0.34 0.00 1.24 0.00 0.00 39.78 40.54 3a1s n ASN 212 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3a1s h PRO 213 N 7.62 0.77 -0.33 1.20 0.11 -1.95 -0.29 132.00 139.12 3a1s h PRO 213 Ca -0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3a1s h PRO 213 Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3a1s h PRO 213 CO 0.92 0.51 -0.06 -0.09 -0.21 0.00 0.00 178.00 179.07 3a1s h ARG 214 N 0.79 0.63 -0.24 1.05 2.43 -1.92 -0.05 114.38 117.07 3a1s h ARG 214 Ca 0.25 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3a1s h ARG 214 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3a1s h ARG 214 CO -0.06 0.79 0.16 -0.92 -1.51 0.00 0.00 179.97 178.42 3a1s h TYR 215 N 0.42 0.29 -0.47 2.20 3.20 -1.56 -0.66 116.97 120.39 3a1s h TYR 215 Ca 0.09 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.02 3a1s h TYR 215 Cb 0.54 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 3a1s h TYR 215 CO 0.05 0.18 0.18 0.35 -1.64 0.00 0.00 178.16 177.28 3a1s h PHE 216 N 0.32 0.33 -0.43 -3.82 3.04 -0.94 -1.70 116.94 113.74 3a1s h PHE 216 Ca 0.09 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.08 3a1s h PHE 216 Cb -0.03 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 3a1s h PHE 216 CO -0.07 0.13 0.27 0.00 -2.02 0.00 0.00 178.31 176.62 3a1s h ALA 217 N 1.29 0.54 -0.87 2.41 0.00 -0.58 -0.29 119.26 121.77 3a1s h ALA 217 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3a1s h ALA 217 Cb 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3a1s h ALA 217 CO -0.21 -0.04 0.47 -0.07 0.00 0.00 0.00 179.25 179.40 3a1s h LEU 218 N 0.54 1.09 -0.06 0.00 3.38 -0.65 -0.74 115.31 118.86 3a1s h LEU 218 Ca 0.16 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 3a1s h LEU 218 Cb -0.02 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.47 3a1s h LEU 218 CO -0.06 0.88 -0.98 0.11 0.09 0.00 0.00 178.44 178.48 3a1s h LYS 219 N 1.21 0.67 -0.02 1.13 1.79 -0.99 -1.85 116.57 118.52 3a1s h LYS 219 Ca 0.30 -0.69 -0.00 0.00 -2.18 0.00 0.00 60.65 58.09 3a1s h LYS 219 Cb 0.04 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3a1s h LYS 219 CO -0.05 1.28 0.01 -0.92 -1.08 0.00 0.00 179.45 178.69 3a1s h TYR 220 N 0.40 0.02 -0.54 -1.35 5.03 -0.89 -0.45 116.97 119.19 3a1s h TYR 220 Ca -0.11 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 3a1s h TYR 220 Cb 1.62 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.87 3a1s h TYR 220 CO 0.09 0.07 0.29 -0.07 -1.32 0.00 0.00 178.16 177.23 3a1s h LEU 221 N -0.04 0.66 0.00 2.82 3.38 -1.17 -1.91 115.31 119.05 3a1s h LEU 221 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3a1s h LEU 221 Cb 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3a1s h LEU 221 CO -0.00 0.54 0.00 -1.20 0.09 0.00 0.00 178.44 177.87 3a1s n SER 222 N -4.40 0.00 -0.32 -0.43 7.64 -0.70 -4.27 113.62 111.14 3a1s n SER 222 Ca 0.05 -0.05 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 3a1s n SER 222 Cb 0.10 -0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 3a1s n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a1s n GLY 223 N 1.05 0.41 3.68 0.23 0.00 -0.72 -4.57 105.19 105.27 3a1s n GLY 223 Ca 0.12 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3a1s n GLY 223 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1s n ASP 224 N 1.41 3.99 -0.27 1.61 2.03 -0.23 -4.81 116.55 120.28 3a1s n ASP 224 Ca -0.04 0.98 0.04 0.00 0.52 0.00 0.00 54.79 56.29 3a1s n ASP 224 Cb 0.34 -1.53 0.13 0.00 -0.72 0.00 0.00 41.12 39.35 3a1s n ASP 224 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a1s h PRO 225 N 8.84 0.03 -0.02 -0.67 0.11 -1.93 0.41 132.00 138.77 3a1s h PRO 225 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3a1s h PRO 225 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3a1s h PRO 225 CO 0.94 0.02 -0.03 1.49 -0.21 0.00 0.00 178.00 180.22 3a1s h GLU 226 N 0.03 0.05 0.06 1.05 4.81 -1.96 -3.04 114.58 115.59 3a1s h GLU 226 Ca 0.40 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.36 3a1s h GLU 226 Cb 0.67 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 3a1s h GLU 226 CO -0.76 0.57 -1.06 0.74 -0.73 0.00 0.00 179.01 177.77 3a1s h PHE 227 N -0.46 0.44 -0.02 0.92 0.04 -1.73 -2.23 116.94 113.90 3a1s h PHE 227 Ca 0.00 -0.28 -0.00 0.00 2.80 0.00 0.00 57.97 60.49 3a1s h PHE 227 Cb 0.57 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 3a1s h PHE 227 CO 0.11 1.15 0.00 -0.92 -0.60 0.00 0.00 178.31 178.05 3a1s h TYR 228 N 0.12 0.03 -0.81 -0.55 3.20 -0.35 -0.28 116.97 118.33 3a1s h TYR 228 Ca -0.09 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.81 3a1s h TYR 228 Cb 1.74 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.95 3a1s h TYR 228 CO 0.05 0.29 0.52 0.77 -1.64 0.00 0.00 178.16 178.15 3a1s h SER 229 N -0.24 0.86 -0.02 -2.11 0.02 -1.59 -1.71 113.55 108.76 3a1s h SER 229 Ca 0.00 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3a1s h SER 229 Cb 0.28 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3a1s h SER 229 CO 0.00 0.59 -0.43 -0.08 -1.14 0.00 0.00 176.83 175.78 3a1s h GLU 230 N 1.01 0.55 -0.36 3.45 4.57 -1.32 -1.66 114.58 120.82 3a1s h GLU 230 Ca 0.32 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3a1s h GLU 230 Cb -0.00 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3a1s h GLU 230 CO -0.11 0.88 0.12 0.78 -1.18 0.00 0.00 179.01 179.49 3a1s h GLY 231 N 1.06 0.61 1.03 1.92 0.00 -0.65 -2.53 103.07 104.51 3a1s h GLY 231 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3a1s h GLY 231 CO 0.08 0.33 0.34 -2.08 0.00 0.00 0.00 176.54 175.21 3a1s h VAL 232 N 0.44 1.25 0.00 4.60 2.07 -1.22 -1.45 116.25 121.94 3a1s h VAL 232 Ca 0.12 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3a1s h VAL 232 Cb 0.25 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3a1s h VAL 232 CO -0.00 0.31 0.00 0.11 0.02 0.00 0.00 177.57 178.01 3a1s h LYS 233 N 1.11 0.00 0.00 1.57 1.57 -1.08 -0.28 116.57 119.46 3a1s h LYS 233 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3a1s h LYS 233 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3a1s h LYS 233 CO -0.03 0.00 -0.74 1.28 -0.57 0.00 0.00 179.45 179.40 3a1s n LEU 234 N -3.08 0.62 0.00 2.94 4.77 -0.73 -4.94 117.00 116.58 3a1s n LEU 234 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3a1s n LEU 234 Cb 0.12 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3a1s n LEU 234 CO 0.22 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3a1s n GLY 235 N 1.44 0.99 3.77 -0.72 0.00 -0.11 -5.11 105.19 105.45 3a1s n GLY 235 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3a1s n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1s s LEU 236 N 0.00 4.26 0.62 0.99 1.43 -0.63 -4.98 118.68 120.38 3a1s s LEU 236 Ca 0.00 2.51 -0.19 0.00 -1.03 0.00 0.00 54.13 55.43 3a1s s LEU 236 Cb 0.00 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 3a1s s LEU 236 CO 0.00 -0.69 1.17 -2.65 0.23 0.00 0.00 176.35 174.41 3a1s n PRO 237 N 0.28 1.08 -1.82 1.29 -0.02 -1.26 -4.18 135.00 130.37 3a1s n PRO 237 Ca 0.03 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3a1s n PRO 237 Cb 0.44 -2.39 0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3a1s n PRO 237 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a1s s GLU 238 N -3.08 2.93 0.00 -0.52 2.02 -1.26 -4.82 118.70 113.98 3a1s s GLU 238 Ca 0.79 1.32 0.08 0.00 0.02 0.00 0.00 54.97 57.18 3a1s s GLU 238 Cb -0.40 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 3a1s s GLU 238 CO 0.44 -1.13 -0.24 -0.51 0.02 0.00 0.00 175.26 173.83 3a1s s LEU 239 N -4.81 2.09 0.88 1.80 1.43 -1.26 -5.13 118.68 113.68 3a1s s LEU 239 Ca 0.66 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3a1s s LEU 239 Cb -0.19 -1.22 0.12 0.00 0.03 0.00 0.00 46.19 44.93 3a1s s LEU 239 CO 0.41 0.27 1.11 -0.94 0.23 0.00 0.00 176.35 177.43 3a1s s SER 240 N -0.81 3.42 0.24 2.29 1.04 -1.26 -4.82 113.70 113.81 3a1s s SER 240 Ca 0.10 1.88 -0.05 0.00 0.48 0.00 0.00 55.95 58.36 3a1s s SER 240 Cb -0.09 -2.46 0.27 0.00 0.10 0.00 0.00 66.02 63.84 3a1s s SER 240 CO 0.00 -2.73 1.79 -0.08 0.98 0.00 0.00 173.24 173.20 3a1s h GLU 241 N -1.61 1.01 -0.79 4.02 4.81 -2.00 -1.82 114.58 118.20 3a1s h GLU 241 Ca -0.46 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 58.58 3a1s h GLU 241 Cb 1.26 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3a1s h GLU 241 CO 0.48 0.87 0.52 0.93 -0.73 0.00 0.00 179.01 181.08 3a1s h GLU 242 N 0.98 1.01 0.04 1.92 3.07 -1.99 -0.37 114.58 119.24 3a1s h GLU 242 Ca 0.22 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3a1s h GLU 242 Cb 0.28 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3a1s h GLU 242 CO -0.01 0.67 -0.02 0.93 -1.40 0.00 0.00 179.01 179.18 3a1s h GLU 243 N 1.04 -0.05 -0.47 2.33 5.08 -1.80 0.14 114.58 120.86 3a1s h GLU 243 Ca 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3a1s h GLU 243 Cb -0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3a1s h GLU 243 CO -0.08 0.13 0.26 0.00 -1.00 0.00 0.00 179.01 178.32 3a1s h ARG 244 N -0.22 0.66 -0.56 2.33 3.08 -1.14 -0.54 114.38 117.99 3a1s h ARG 244 Ca -0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3a1s h ARG 244 Cb 0.20 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3a1s h ARG 244 CO 0.01 0.52 0.33 0.82 -1.07 0.00 0.00 179.97 180.58 3a1s h ILE 245 N 0.62 1.18 -0.12 2.04 2.04 -1.05 -1.07 117.51 121.14 3a1s h ILE 245 Ca 0.17 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3a1s h ILE 245 Cb 0.05 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3a1s h ILE 245 CO -0.03 0.18 -0.10 1.23 0.00 0.00 0.00 178.15 179.43 3a1s h GLY 246 N 0.76 -0.01 1.06 5.37 0.00 -0.47 -0.86 103.07 108.91 3a1s h GLY 246 Ca 0.20 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.59 3a1s h GLY 246 CO -0.04 -0.12 0.18 -0.97 0.00 0.00 0.00 176.54 175.60 3a1s h TYR 247 N -0.12 1.17 0.04 5.60 0.05 -0.99 -2.19 116.97 120.53 3a1s h TYR 247 Ca 0.08 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3a1s h TYR 247 Cb 0.24 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 3a1s h TYR 247 CO -0.22 0.95 -0.03 -0.09 -1.05 0.00 0.00 178.16 177.71 3a1s h ARG 248 N 1.06 -0.07 -0.50 4.88 2.43 -0.81 -1.15 114.38 120.21 3a1s h ARG 248 Ca 0.22 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3a1s h ARG 248 Cb 0.36 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3a1s h ARG 248 CO -0.00 -0.05 0.25 -0.07 -1.51 0.00 0.00 179.97 178.59 3a1s h LEU 249 N -0.08 0.65 -0.43 3.80 3.38 -1.10 -1.26 115.31 120.28 3a1s h LEU 249 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3a1s h LEU 249 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3a1s h LEU 249 CO -0.01 0.59 0.24 0.25 0.09 0.00 0.00 178.44 179.60 3a1s h LEU 250 N 0.67 0.54 -0.57 1.67 6.46 -1.28 0.40 115.31 123.20 3a1s h LEU 250 Ca 0.17 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 3a1s h LEU 250 Cb 0.11 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 3a1s h LEU 250 CO -0.02 0.48 0.21 0.40 -0.62 0.00 0.00 178.44 178.88 3a1s h ILE 251 N 0.56 1.23 -0.60 4.05 2.04 -1.01 -1.28 117.51 122.51 3a1s h ILE 251 Ca 0.15 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 3a1s h ILE 251 Cb 0.06 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3a1s h ILE 251 CO -0.02 0.28 0.09 0.00 0.00 0.00 0.00 178.15 178.50 3a1s h ALA 252 N 1.06 0.80 -0.59 1.87 0.00 -1.01 -2.16 119.26 119.24 3a1s h ALA 252 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3a1s h ALA 252 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3a1s h ALA 252 CO -0.01 0.56 0.34 -0.22 0.00 0.00 0.00 179.25 179.92 3a1s h LYS 253 N 0.90 0.81 -0.64 0.00 3.64 -0.66 -0.10 116.57 120.52 3a1s h LYS 253 Ca 0.18 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3a1s h LYS 253 Cb 0.43 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3a1s h LYS 253 CO 0.01 0.60 0.26 -0.09 -2.27 0.00 0.00 179.45 177.95 3a1s h ARG 254 N 0.80 0.95 -0.44 1.90 9.65 -1.04 -1.44 114.38 124.75 3a1s h ARG 254 Ca 0.21 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 3a1s h ARG 254 Cb 0.01 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 3a1s h ARG 254 CO -0.04 0.80 0.02 0.87 2.80 0.00 0.00 179.97 184.42 3a1s h LYS 255 N 0.89 0.77 -0.78 0.20 1.57 -1.14 -1.88 116.57 116.21 3a1s h LYS 255 Ca 0.21 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3a1s h LYS 255 Cb 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3a1s h LYS 255 CO -0.02 0.83 0.47 -0.09 -0.57 0.00 0.00 179.45 180.07 3a1s h ARG 256 N 0.62 1.06 -0.00 3.15 9.65 -0.71 -1.03 114.38 127.11 3a1s h ARG 256 Ca 0.13 -0.10 -0.16 0.00 -1.10 0.00 0.00 59.98 58.75 3a1s h ARG 256 Cb 0.47 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 3a1s h ARG 256 CO 0.02 0.75 -0.74 1.05 2.80 0.00 0.00 179.97 183.85 3a1s h GLU 257 N 1.07 0.03 -0.27 0.20 4.11 -1.20 -1.43 114.58 117.09 3a1s h GLU 257 Ca 0.28 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.66 3a1s h GLU 257 Cb -0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3a1s h GLU 257 CO -0.05 0.75 0.08 -0.92 0.07 0.00 0.00 179.01 178.94 3a1s h TYR 258 N 0.02 0.44 -0.55 2.06 3.20 -0.90 -0.95 116.97 120.28 3a1s h TYR 258 Ca -0.01 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.87 3a1s h TYR 258 Cb 1.31 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.40 3a1s h TYR 258 CO 0.00 0.48 0.27 0.28 -1.64 0.00 0.00 178.16 177.55 3a1s h VAL 259 N 0.27 0.92 -0.91 1.81 2.07 -1.10 0.00 116.25 119.31 3a1s h VAL 259 Ca 0.09 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3a1s h VAL 259 Cb 0.25 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 3a1s h VAL 259 CO -0.00 0.09 0.58 -0.33 0.02 0.00 0.00 177.57 177.93 3a1s h GLU 260 N 0.51 1.03 -0.33 1.57 5.08 -1.02 -0.76 114.58 120.67 3a1s h GLU 260 Ca 0.25 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3a1s h GLU 260 Cb 0.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3a1s h GLU 260 CO -0.19 0.68 -0.02 -0.97 -1.00 0.00 0.00 179.01 177.51 3a1s h ASN 261 N 1.06 0.59 -0.69 1.42 -1.24 -0.33 -0.98 115.58 115.41 3a1s h ASN 261 Ca 0.39 -0.33 0.02 0.00 0.71 0.00 0.00 56.30 57.10 3a1s h ASN 261 Cb 0.14 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 3a1s h ASN 261 CO -0.16 0.77 0.44 0.58 -1.29 0.00 0.00 177.43 177.77 3a1s h VAL 262 N 0.39 1.12 -0.67 2.57 2.07 -0.58 -1.58 116.25 119.58 3a1s h VAL 262 Ca 0.09 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 3a1s h VAL 262 Cb 0.48 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3a1s h VAL 262 CO 0.02 0.16 0.09 0.58 0.02 0.00 0.00 177.57 178.45 3a1s h VAL 263 N 0.88 1.26 -0.88 2.57 2.07 -1.01 0.42 116.25 121.56 3a1s h VAL 263 Ca 0.27 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3a1s h VAL 263 Cb -0.02 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3a1s h VAL 263 CO -0.09 0.40 0.55 0.50 0.02 0.00 0.00 177.57 178.94 3a1s h LYS 264 N 1.03 1.19 0.10 1.57 3.64 -0.72 -1.70 116.57 121.67 3a1s h LYS 264 Ca 0.20 -0.10 -0.30 0.00 -1.27 0.00 0.00 60.65 59.18 3a1s h LYS 264 Cb 0.46 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3a1s h LYS 264 CO 0.02 0.82 -1.56 0.93 -2.27 0.00 0.00 179.45 177.38 3a1s h GLU 265 N 1.21 0.20 0.00 1.90 4.39 -0.94 -3.39 114.58 117.95 3a1s h GLU 265 Ca 0.32 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3a1s h GLU 265 Cb -0.08 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3a1s h GLU 265 CO -0.06 1.04 -1.68 0.00 -1.16 0.00 0.00 179.01 177.14 3a1s n ALA 266 N -2.66 3.40 -2.71 3.43 0.00 0.11 -4.93 120.51 117.15 3a1s n ALA 266 Ca -0.17 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.41 3a1s n ALA 266 Cb 1.04 -0.75 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 3a1s n ALA 266 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3a1s s PHE 267 N -3.34 2.74 0.00 0.00 0.08 -0.64 -0.98 117.98 115.84 3a1s s PHE 267 Ca -0.03 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3a1s s PHE 267 Cb 0.14 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 3a1s s PHE 267 CO 0.89 0.03 0.00 0.00 -0.10 0.00 0.00 175.22 176.03