#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1u s MET 16 N 0.00 3.32 -0.06 -0.41 1.00 -1.26 -2.11 119.30 119.78 3a1u s MET 16 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 55.69 55.44 3a1u s MET 16 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 34.83 31.78 3a1u s MET 16 CO 0.00 0.72 -0.11 0.14 0.00 0.00 0.00 175.02 175.77 3a1u s VAL 17 N -1.12 1.02 -0.14 -6.03 -7.23 -0.69 -4.98 120.40 101.23 3a1u s VAL 17 Ca 0.20 -0.43 -0.05 0.00 -1.81 0.00 0.00 61.98 59.89 3a1u s VAL 17 Cb -0.12 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 3a1u s VAL 17 CO 0.10 0.33 0.04 -0.75 -0.31 0.00 0.00 175.10 174.50 3a1u s LYS 18 N 0.60 3.57 -0.06 4.82 2.20 -1.26 -1.04 119.74 128.56 3a1u s LYS 18 Ca -0.12 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 3a1u s LYS 18 Cb -0.14 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3a1u s LYS 18 CO 0.03 0.46 -0.04 0.08 -0.36 0.00 0.00 175.35 175.51 3a1u s VAL 19 N -0.17 0.58 -0.06 4.02 1.01 0.53 -0.07 120.40 126.25 3a1u s VAL 19 Ca 0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3a1u s VAL 19 Cb -0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 3a1u s VAL 19 CO 0.02 0.26 0.31 0.00 0.00 0.00 0.00 175.10 175.68 3a1u s ALA 20 N 1.35 3.75 -0.37 5.51 0.00 -0.69 -0.67 121.76 130.64 3a1u s ALA 20 Ca -0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 3a1u s ALA 20 Cb -0.13 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 3a1u s ALA 20 CO -0.03 0.48 0.27 -0.51 0.00 0.00 0.00 175.76 175.98 3a1u s LEU 21 N -0.88 4.73 0.23 0.00 1.43 0.50 -0.23 118.68 124.46 3a1u s LEU 21 Ca 0.20 -0.58 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 3a1u s LEU 21 Cb -0.15 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 3a1u s LEU 21 CO 0.09 -0.32 -0.00 0.00 0.23 0.00 0.00 176.35 176.34 3a1u s ALA 22 N 1.74 3.17 0.00 4.21 0.00 -0.30 -2.11 121.76 128.46 3a1u s ALA 22 Ca 0.06 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.47 3a1u s ALA 22 Cb -0.18 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.09 3a1u s ALA 22 CO 0.10 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.61 3a1u n GLY 23 N -0.62 2.12 3.63 0.00 0.00 -1.26 -0.58 105.19 108.48 3a1u n GLY 23 Ca -0.08 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 3a1u n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1u n PRO 25 N -4.34 2.26 -2.12 0.00 -0.02 -1.26 -3.15 135.00 126.37 3a1u n PRO 25 Ca 0.06 0.81 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 3a1u n PRO 25 Cb 0.55 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 3a1u n PRO 25 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3a1u n ASN 26 N 3.05 -4.59 0.14 2.55 3.02 -1.26 -4.89 115.26 113.29 3a1u n ASN 26 Ca 0.15 0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 3a1u n ASN 26 Cb 0.31 -3.66 0.14 0.00 -0.61 0.00 0.00 39.78 35.96 3a1u n ASN 26 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3a1u h VAL 27 N 0.00 0.00 0.00 2.41 -1.51 -1.90 -3.47 116.25 111.77 3a1u h VAL 27 Ca -0.35 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 3a1u h VAL 27 Cb 1.21 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 3a1u h VAL 27 CO 0.43 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.38 3a1u n GLY 28 N 1.19 1.80 0.23 5.19 0.00 -1.26 -4.59 105.19 107.75 3a1u n GLY 28 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3a1u n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1u h LYS 29 N 0.00 -0.45 -0.39 1.61 1.57 -1.91 -1.96 116.57 115.04 3a1u h LYS 29 Ca 0.00 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3a1u h LYS 29 Cb 0.00 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3a1u h LYS 29 CO 0.00 -0.30 -0.19 1.15 -0.57 0.00 0.00 179.45 179.55 3a1u h THR 30 N -0.46 1.27 -0.60 -0.16 2.02 -1.97 -0.61 112.91 112.40 3a1u h THR 30 Ca -0.03 -1.27 0.01 0.00 0.77 0.00 0.00 66.41 65.89 3a1u h THR 30 Cb 0.39 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3a1u h THR 30 CO 0.02 0.42 0.40 0.28 0.37 0.00 0.00 175.52 177.01 3a1u h SER 31 N 0.65 0.68 -0.45 4.18 0.02 -1.97 0.09 113.55 116.75 3a1u h SER 31 Ca 0.10 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 3a1u h SER 31 Cb 0.67 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3a1u h SER 31 CO 0.05 0.50 -0.25 0.25 -1.14 0.00 0.00 176.83 176.23 3a1u h LEU 32 N 0.81 1.01 -0.21 5.07 5.85 -1.05 0.43 115.31 127.22 3a1u h LEU 32 Ca 0.22 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3a1u h LEU 32 Cb -0.09 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.59 3a1u h LEU 32 CO -0.05 1.20 -0.44 0.15 -0.34 0.00 0.00 178.44 178.95 3a1u h PHE 33 N 0.83 -1.29 -0.68 1.25 -0.00 -0.83 0.04 116.94 116.27 3a1u h PHE 33 Ca 0.10 0.06 -0.07 0.00 -0.00 0.00 0.00 57.97 58.06 3a1u h PHE 33 Cb 0.83 0.59 -0.03 0.00 -0.00 0.00 0.00 35.95 37.35 3a1u h PHE 33 CO 0.05 -0.48 0.16 -0.91 -0.00 0.00 0.00 178.31 177.14 3a1u h ASN 34 N -0.46 1.02 -0.19 0.41 2.35 -0.80 -2.28 115.58 115.63 3a1u h ASN 34 Ca 0.09 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 3a1u h ASN 34 Cb 0.62 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3a1u h ASN 34 CO -0.46 0.98 -0.09 0.00 -1.65 0.00 0.00 177.43 176.22 3a1u h ALA 35 N 1.14 1.24 -0.01 -0.83 0.00 -0.56 0.16 119.26 120.40 3a1u h ALA 35 Ca 0.21 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 3a1u h ALA 35 Cb 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3a1u h ALA 35 CO 0.00 0.50 -1.01 -0.07 0.00 0.00 0.00 179.25 178.67 3a1u h LEU 36 N 0.51 0.89 0.00 0.00 3.38 -0.83 -3.29 115.31 115.98 3a1u h LEU 36 Ca 0.10 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3a1u h LEU 36 Cb 0.46 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3a1u h LEU 36 CO 0.03 1.50 -0.42 0.71 0.09 0.00 0.00 178.44 180.34 3a1u h THR 37 N 0.40 0.00 -0.70 0.22 1.35 -1.27 -3.46 112.91 109.46 3a1u h THR 37 Ca -0.12 -0.80 -0.30 0.00 -0.55 0.00 0.00 66.41 64.65 3a1u h THR 37 Cb 1.66 1.56 -0.12 0.00 -1.73 0.00 0.00 68.15 69.52 3a1u h THR 37 CO 0.20 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 175.81 3a1u n GLY 38 N 1.21 1.49 2.96 5.82 0.00 0.56 -4.87 105.19 112.36 3a1u n GLY 38 Ca 0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 3a1u n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a1u s THR 39 N -2.50 0.19 -0.30 2.61 2.01 -1.12 -5.04 115.64 111.50 3a1u s THR 39 Ca 0.00 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 3a1u s THR 39 Cb 0.00 -0.25 0.11 0.00 0.01 0.00 0.00 72.50 72.37 3a1u s THR 39 CO 0.00 -0.26 0.18 -0.75 -0.69 0.00 0.00 174.62 173.10 3a1u s LYS 40 N -0.88 0.25 0.14 4.92 2.20 -1.26 -4.44 119.74 120.68 3a1u s LYS 40 Ca -0.08 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.10 3a1u s LYS 40 Cb -0.06 -1.04 -0.04 0.00 -1.51 0.00 0.00 37.83 35.18 3a1u s LYS 40 CO -0.00 -1.04 0.03 -0.65 -0.36 0.00 0.00 175.35 173.33 3a1u s GLN 41 N 2.09 2.56 0.18 4.03 -0.21 -1.26 -5.04 119.66 122.00 3a1u s GLN 41 Ca 0.10 -0.97 0.11 0.00 0.02 0.00 0.00 55.36 54.62 3a1u s GLN 41 Cb -0.16 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 3a1u s GLN 41 CO -0.33 0.49 -0.24 0.71 -2.12 0.00 0.00 175.29 173.80 3a1u s TYR 42 N -1.60 2.22 0.06 0.91 2.02 -1.26 -0.90 117.35 118.80 3a1u s TYR 42 Ca 0.28 -0.38 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 3a1u s TYR 42 Cb -0.10 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 3a1u s TYR 42 CO 0.20 0.44 -0.19 0.14 -1.57 0.00 0.00 175.55 174.57 3a1u s VAL 43 N -1.61 1.51 0.26 0.71 -7.23 0.22 -4.84 120.40 109.42 3a1u s VAL 43 Ca 0.18 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 3a1u s VAL 43 Cb -0.08 -1.35 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 3a1u s VAL 43 CO 0.09 0.07 1.20 0.00 -0.31 0.00 0.00 175.10 176.15 3a1u s ALA 44 N -0.93 3.45 0.00 1.32 0.00 -1.26 -0.46 121.76 123.88 3a1u s ALA 44 Ca 0.05 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3a1u s ALA 44 Cb -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3a1u s ALA 44 CO 0.02 -0.38 0.00 0.09 0.00 0.00 0.00 175.76 175.49 3a1u n ASN 45 N 1.63 1.19 -4.89 0.00 5.03 -1.26 -4.88 115.26 112.07 3a1u n ASN 45 Ca 0.02 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.17 3a1u n ASN 45 Cb 0.44 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.15 3a1u n ASN 45 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3a1u s THR 50 N -1.73 5.18 0.23 3.41 -4.23 -1.26 -5.31 115.64 111.93 3a1u s THR 50 Ca 0.00 -0.57 0.09 0.00 -1.18 0.00 0.00 61.69 60.02 3a1u s THR 50 Cb 0.00 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 3a1u s THR 50 CO 0.00 0.06 -0.15 0.68 -0.54 0.00 0.00 174.62 174.67 3a1u s VAL 51 N -1.57 1.89 0.15 2.29 -7.23 0.39 -4.90 120.40 111.43 3a1u s VAL 51 Ca 0.34 -2.25 -0.31 0.00 -1.81 0.00 0.00 61.98 57.95 3a1u s VAL 51 Cb -0.12 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 3a1u s VAL 51 CO 0.27 -0.53 1.36 -1.83 -0.31 0.00 0.00 175.10 174.06 3a1u s GLU 52 N -3.62 4.34 0.39 4.82 -1.05 -1.26 -0.61 118.70 121.70 3a1u s GLU 52 Ca 0.25 2.08 -0.27 0.00 -0.15 0.00 0.00 54.97 56.88 3a1u s GLU 52 Cb -0.01 -3.22 -0.09 0.00 -0.44 0.00 0.00 34.13 30.36 3a1u s GLU 52 CO 0.09 -0.37 1.33 0.15 0.95 0.00 0.00 175.26 177.41 3a1u s LYS 53 N 0.61 4.05 0.00 -4.83 3.01 -0.08 -4.83 119.74 117.67 3a1u s LYS 53 Ca 0.62 2.22 0.25 0.00 -1.01 0.00 0.00 55.97 58.04 3a1u s LYS 53 Cb -0.37 -2.84 0.38 0.00 -1.01 0.00 0.00 37.83 33.99 3a1u s LYS 53 CO 0.34 -0.45 1.33 1.63 0.51 0.00 0.00 175.35 178.71 3a1u n LYS 54 N 0.29 1.00 -4.03 1.68 4.76 -1.26 -4.90 118.16 115.69 3a1u n LYS 54 Ca 0.03 -0.72 -0.10 0.00 -2.87 0.00 0.00 58.31 54.64 3a1u n LYS 54 Cb 0.43 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.02 3a1u n LYS 54 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3a1u s GLU 55 N -2.50 0.45 0.35 1.97 -1.05 -1.26 -0.33 118.70 116.34 3a1u s GLU 55 Ca 0.21 -0.76 -0.08 0.00 -0.15 0.00 0.00 54.97 54.19 3a1u s GLU 55 Cb 0.19 -0.05 0.03 0.00 -0.44 0.00 0.00 34.13 33.86 3a1u s GLU 55 CO 0.55 -0.01 0.61 0.41 0.95 0.00 0.00 175.26 177.77 3a1u n GLY 56 N 1.33 1.55 2.98 -3.83 0.00 -0.62 -4.97 105.19 101.63 3a1u n GLY 56 Ca -0.22 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 3a1u n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1u s VAL 57 N -2.45 0.20 0.09 1.61 1.01 -1.26 -0.20 120.40 119.40 3a1u s VAL 57 Ca 0.21 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3a1u s VAL 57 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 3a1u s VAL 57 CO 0.15 -0.38 0.17 0.72 0.00 0.00 0.00 175.10 175.76 3a1u s PHE 58 N -1.18 0.20 -0.02 5.22 -0.12 -0.58 -4.70 117.98 116.79 3a1u s PHE 58 Ca -0.12 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.14 3a1u s PHE 58 Cb -0.08 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 3a1u s PHE 58 CO -0.01 -0.53 -0.05 0.99 -0.05 0.00 0.00 175.22 175.57 3a1u s THR 59 N -3.87 3.79 -0.19 -4.49 2.01 -1.26 -0.47 115.64 111.15 3a1u s THR 59 Ca 0.05 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 3a1u s THR 59 Cb 0.05 -2.63 0.09 0.00 0.01 0.00 0.00 72.50 70.02 3a1u s THR 59 CO -0.11 0.46 0.41 -0.47 -0.69 0.00 0.00 174.62 174.23 3a1u s TYR 60 N -0.95 -0.77 -1.62 4.92 5.04 -0.32 -4.94 117.35 118.71 3a1u s TYR 60 Ca 0.16 1.49 -0.10 0.00 -2.44 0.00 0.00 57.07 56.17 3a1u s TYR 60 Cb -0.11 0.29 0.09 0.00 0.35 0.00 0.00 41.96 42.58 3a1u s TYR 60 CO 0.06 -0.47 0.48 1.63 -1.34 0.00 0.00 175.55 175.91 3a1u n LYS 61 N 5.33 -2.29 -0.71 4.97 5.02 -1.26 -0.98 118.16 128.23 3a1u n LYS 61 Ca -0.09 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3a1u n LYS 61 Cb 0.50 -4.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 3a1u n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1u n GLY 62 N -1.77 0.84 3.76 0.72 0.00 -1.26 -5.03 105.19 102.44 3a1u n GLY 62 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3a1u n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1u s TYR 63 N -3.29 3.30 -0.32 1.61 1.51 -0.16 -4.49 117.35 115.51 3a1u s TYR 63 Ca 0.00 0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 56.21 3a1u s TYR 63 Cb 0.00 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3a1u s TYR 63 CO 0.00 0.56 0.22 0.99 -1.11 0.00 0.00 175.55 176.21 3a1u s THR 64 N -1.03 5.29 -0.29 -0.71 2.01 -0.90 -1.17 115.64 118.85 3a1u s THR 64 Ca 0.17 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 3a1u s THR 64 Cb -0.12 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 3a1u s THR 64 CO 0.07 0.08 0.13 -0.63 -0.69 0.00 0.00 174.62 173.58 3a1u s ILE 65 N 1.74 4.63 -0.17 1.82 1.09 0.38 -1.70 121.20 128.97 3a1u s ILE 65 Ca 0.06 -0.25 -0.14 0.00 -1.10 0.00 0.00 60.65 59.22 3a1u s ILE 65 Cb -0.17 -3.27 -0.04 0.00 -1.06 0.00 0.00 42.46 37.91 3a1u s ILE 65 CO 0.11 0.18 0.32 0.20 -0.10 0.00 0.00 174.94 175.65 3a1u s ASN 66 N 1.64 6.43 -0.09 3.58 0.01 -0.21 -1.53 114.94 124.76 3a1u s ASN 66 Ca 0.06 0.50 -0.03 0.00 -0.71 0.00 0.00 52.86 52.68 3a1u s ASN 66 Cb -0.16 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 3a1u s ASN 66 CO 0.06 0.05 0.02 -0.76 -1.51 0.00 0.00 177.10 174.96 3a1u s LEU 67 N 0.71 3.66 -0.15 0.60 1.02 0.72 -0.34 118.68 124.91 3a1u s LEU 67 Ca 0.17 0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.50 3a1u s LEU 67 Cb -0.13 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.23 3a1u s LEU 67 CO 0.05 0.37 -0.19 -0.63 0.02 0.00 0.00 176.35 175.97 3a1u s ILE 68 N -0.83 2.34 -0.48 -0.59 1.09 0.16 -1.58 121.20 121.30 3a1u s ILE 68 Ca 0.13 -0.88 -0.17 0.00 -1.10 0.00 0.00 60.65 58.62 3a1u s ILE 68 Cb -0.11 -1.96 0.06 0.00 -1.06 0.00 0.00 42.46 39.39 3a1u s ILE 68 CO 0.02 0.53 0.50 -0.62 -0.10 0.00 0.00 174.94 175.28 3a1u s ASP 69 N 0.83 6.19 0.44 3.58 2.15 0.56 -0.37 116.67 130.04 3a1u s ASP 69 Ca -0.06 -1.08 -0.08 0.00 0.43 0.00 0.00 52.55 51.76 3a1u s ASP 69 Cb -0.15 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.18 3a1u s ASP 69 CO -0.01 -0.75 0.77 -0.76 -0.17 0.00 0.00 175.17 174.25 3a1u s LEU 70 N 2.13 3.72 0.54 -1.34 1.43 -0.90 -4.90 118.68 119.37 3a1u s LEU 70 Ca 0.10 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.00 3a1u s LEU 70 Cb -0.21 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 3a1u s LEU 70 CO 0.10 -0.49 1.30 -2.84 0.23 0.00 0.00 176.35 174.65 3a1u s PRO 71 N -4.32 3.18 0.21 1.29 0.02 -1.26 -4.88 135.00 129.25 3a1u s PRO 71 Ca 0.49 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 3a1u s PRO 71 Cb -0.10 -2.22 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 3a1u s PRO 71 CO 0.39 -1.11 1.38 0.20 -0.33 0.00 0.00 177.00 177.52 3a1u s GLY 72 N -1.13 2.35 -0.06 0.52 0.00 -1.26 -4.68 107.32 103.06 3a1u s GLY 72 Ca 0.72 1.21 -0.02 0.00 0.00 0.00 0.00 44.72 46.62 3a1u s GLY 72 CO 0.43 2.19 0.11 -0.51 0.00 0.00 0.00 173.10 175.32 3a1u s THR 73 N 0.14 -0.11 0.11 0.90 -4.23 -0.72 -4.60 115.64 107.14 3a1u s THR 73 Ca 0.59 0.27 0.10 0.00 -1.18 0.00 0.00 61.69 61.46 3a1u s THR 73 Cb -0.39 -0.20 -0.11 0.00 1.34 0.00 0.00 72.50 73.14 3a1u s THR 73 CO 0.40 0.11 1.40 1.88 -0.54 0.00 0.00 174.62 177.87 3a1u h TYR 74 N 7.69 0.00 -4.50 3.99 0.05 -1.93 -3.27 116.97 118.99 3a1u h TYR 74 Ca -0.32 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.23 3a1u h TYR 74 Cb 1.13 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.72 3a1u h TYR 74 CO 0.46 0.80 -0.58 -1.54 -1.05 0.00 0.00 178.16 176.25 3a1u s SER 75 N -6.68 0.14 -0.53 3.88 1.04 -1.26 -4.61 113.70 105.68 3a1u s SER 75 Ca 0.01 -1.34 0.05 0.00 0.48 0.00 0.00 55.95 55.15 3a1u s SER 75 Cb 0.10 0.39 0.37 0.00 0.10 0.00 0.00 66.02 66.98 3a1u s SER 75 CO 0.79 -0.86 1.01 0.18 0.98 0.00 0.00 173.24 175.34 3a1u n LEU 76 N -0.27 4.59 0.00 2.42 4.77 -1.26 -4.81 117.00 122.45 3a1u n LEU 76 Ca 0.01 -5.51 0.00 0.00 -0.03 0.00 0.00 56.01 50.48 3a1u n LEU 76 Cb 0.66 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3a1u n LEU 76 CO 0.32 2.31 0.00 0.61 -1.33 0.00 0.00 177.39 179.30 3a1u n GLY 77 N -0.34 1.12 2.69 -0.72 0.00 -1.26 -5.02 105.19 101.67 3a1u n GLY 77 Ca 0.34 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 3a1u n GLY 77 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a1u n TYR 78 N 0.00 -0.64 -0.03 1.61 4.19 -1.26 -4.55 117.16 116.48 3a1u n TYR 78 Ca 0.00 -2.29 -0.06 0.00 3.31 0.00 0.00 57.90 58.85 3a1u n TYR 78 Cb 0.00 0.63 -0.02 0.00 0.49 0.00 0.00 39.34 40.43 3a1u n TYR 78 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 3a1u n SER 79 N -0.44 0.87 -4.87 2.98 2.88 -1.26 -4.87 113.62 108.92 3a1u n SER 79 Ca 0.02 0.06 -0.32 0.00 -1.33 0.00 0.00 58.87 57.30 3a1u n SER 79 Cb 0.84 -0.17 -0.05 0.00 -0.75 0.00 0.00 64.21 64.07 3a1u n SER 79 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3a1u s SER 80 N -5.43 6.66 0.25 -3.46 1.04 -1.26 -4.95 113.70 106.54 3a1u s SER 80 Ca -0.09 1.08 -0.06 0.00 0.48 0.00 0.00 55.95 57.36 3a1u s SER 80 Cb 0.03 -2.29 0.28 0.00 0.10 0.00 0.00 66.02 64.14 3a1u s SER 80 CO 0.11 -0.18 1.90 -0.29 0.98 0.00 0.00 173.24 175.77 3a1u h ILE 81 N 1.83 1.19 -0.15 -1.02 6.09 -1.99 -1.07 117.51 122.39 3a1u h ILE 81 Ca -0.47 -0.42 -0.19 0.00 -1.37 0.00 0.00 64.86 62.40 3a1u h ILE 81 Cb 1.17 -0.15 0.00 0.00 0.47 0.00 0.00 36.82 38.31 3a1u h ILE 81 CO 0.67 0.23 -0.69 0.44 -3.07 0.00 0.00 178.15 175.72 3a1u h ASP 82 N 1.24 0.73 -0.80 2.19 3.32 -1.94 -1.11 116.42 120.05 3a1u h ASP 82 Ca 0.37 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3a1u h ASP 82 Cb -0.05 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 3a1u h ASP 82 CO -0.11 1.22 0.34 -0.08 -1.72 0.00 0.00 179.24 178.88 3a1u h GLU 83 N 0.45 1.19 -0.34 3.56 4.81 -1.77 -0.68 114.58 121.79 3a1u h GLU 83 Ca -0.03 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 3a1u h GLU 83 Cb 1.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3a1u h GLU 83 CO 0.13 0.95 -0.14 0.87 -0.73 0.00 0.00 179.01 180.09 3a1u h LYS 84 N 1.16 0.69 0.01 1.92 1.57 -0.99 -1.48 116.57 119.46 3a1u h LYS 84 Ca 0.27 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3a1u h LYS 84 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3a1u h LYS 84 CO -0.03 0.89 -0.00 0.82 -0.57 0.00 0.00 179.45 180.56 3a1u h ILE 85 N 0.47 0.99 -0.34 1.86 2.04 -0.99 0.44 117.51 121.98 3a1u h ILE 85 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3a1u h ILE 85 Cb 0.67 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3a1u h ILE 85 CO 0.05 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.35 3a1u h ALA 86 N 0.98 0.44 -0.36 1.87 0.00 -1.13 -2.21 119.26 118.86 3a1u h ALA 86 Ca -0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3a1u h ALA 86 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a1u h ALA 86 CO 0.00 0.02 -0.17 -0.09 0.00 0.00 0.00 179.25 179.01 3a1u h ARG 87 N 0.41 0.75 -0.69 0.00 2.43 -1.17 -1.59 114.38 114.52 3a1u h ARG 87 Ca 0.12 -0.33 0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3a1u h ARG 87 Cb 0.14 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3a1u h ARG 87 CO -0.01 0.94 0.38 -0.44 -1.51 0.00 0.00 179.97 179.32 3a1u h ASP 88 N 0.53 0.54 -0.35 -3.80 3.32 -0.85 -0.74 116.42 115.08 3a1u h ASP 88 Ca 0.08 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3a1u h ASP 88 Cb 0.71 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3a1u h ASP 88 CO 0.05 0.34 -0.05 0.22 -1.72 0.00 0.00 179.24 178.08 3a1u h TYR 89 N 0.68 0.72 -0.71 4.55 3.20 -1.22 0.27 116.97 124.46 3a1u h TYR 89 Ca 0.32 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3a1u h TYR 89 Cb 0.24 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3a1u h TYR 89 CO -0.08 0.79 0.34 -0.07 -1.64 0.00 0.00 178.16 177.50 3a1u h LEU 90 N 0.44 0.92 0.06 2.82 3.38 -0.87 0.30 115.31 122.35 3a1u h LEU 90 Ca 0.09 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 3a1u h LEU 90 Cb 0.54 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3a1u h LEU 90 CO 0.03 0.78 -1.61 -0.07 0.09 0.00 0.00 178.44 177.66 3a1u h LEU 91 N 1.01 0.19 -0.19 1.67 3.38 -1.06 -3.41 115.31 116.90 3a1u h LEU 91 Ca 0.25 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a1u h LEU 91 Cb 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3a1u h LEU 91 CO -0.03 1.27 -0.06 0.29 0.09 0.00 0.00 178.44 180.00 3a1u n LYS 92 N -3.28 5.19 -0.17 1.13 5.02 0.96 -4.96 118.16 122.05 3a1u n LYS 92 Ca -0.17 -0.11 -0.02 0.00 -2.02 0.00 0.00 58.31 55.99 3a1u n LYS 92 Cb 1.03 -0.66 0.01 0.00 -0.02 0.00 0.00 35.03 35.40 3a1u n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1u n GLY 93 N 0.88 -1.03 1.04 0.72 0.00 0.10 -4.98 105.19 101.91 3a1u n GLY 93 Ca 0.00 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.40 3a1u n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1u n ASP 94 N -3.06 3.94 -4.73 1.61 5.75 -1.26 -4.99 116.55 113.81 3a1u n ASP 94 Ca 0.01 -3.09 -0.41 0.00 -0.01 0.00 0.00 54.79 51.29 3a1u n ASP 94 Cb 0.04 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 3a1u n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a1u s ALA 95 N -2.87 3.42 -0.00 2.12 0.00 -1.26 -4.76 121.76 118.40 3a1u s ALA 95 Ca 0.44 0.91 0.11 0.00 0.00 0.00 0.00 51.96 53.41 3a1u s ALA 95 Cb 0.36 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 3a1u s ALA 95 CO 0.09 -0.35 1.32 -0.44 0.00 0.00 0.00 175.76 176.38 3a1u h ASP 96 N 5.47 0.00 -5.01 0.00 3.32 -0.87 -3.48 116.42 115.85 3a1u h ASP 96 Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 3a1u h ASP 96 Cb 1.21 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.58 3a1u h ASP 96 CO 0.75 0.79 -0.19 -0.22 -1.72 0.00 0.00 179.24 178.65 3a1u s LEU 97 N -6.57 0.62 -0.06 1.55 0.20 -1.02 -4.55 118.68 108.84 3a1u s LEU 97 Ca 0.02 0.09 0.05 0.00 0.69 0.00 0.00 54.13 54.98 3a1u s LEU 97 Cb 0.09 1.50 -0.01 0.00 -0.43 0.00 0.00 46.19 47.34 3a1u s LEU 97 CO 0.79 -0.53 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.41 3a1u s VAL 98 N -1.71 2.35 -0.35 1.68 1.01 0.22 -1.71 120.40 121.89 3a1u s VAL 98 Ca -0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3a1u s VAL 98 Cb -0.03 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3a1u s VAL 98 CO 0.03 0.57 0.20 -0.63 0.00 0.00 0.00 175.10 175.26 3a1u s ILE 99 N -0.23 4.71 -0.51 2.22 1.01 0.68 -0.67 121.20 128.41 3a1u s ILE 99 Ca -0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 3a1u s ILE 99 Cb -0.13 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.85 3a1u s ILE 99 CO 0.03 -0.10 1.09 -0.22 0.00 0.00 0.00 174.94 175.74 3a1u s LEU 100 N 1.60 3.71 -0.29 2.97 1.98 -0.25 -1.16 118.68 127.25 3a1u s LEU 100 Ca 0.04 0.21 -0.24 0.00 -2.89 0.00 0.00 54.13 51.25 3a1u s LEU 100 Cb -0.18 -3.29 -0.00 0.00 0.66 0.00 0.00 46.19 43.37 3a1u s LEU 100 CO 0.07 -1.28 0.79 -0.69 -1.89 0.00 0.00 176.35 173.36 3a1u s VAL 101 N 4.41 4.81 0.03 1.68 1.01 0.25 -1.04 120.40 131.55 3a1u s VAL 101 Ca 0.43 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.75 3a1u s VAL 101 Cb -0.08 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3a1u s VAL 101 CO 0.28 -0.19 -0.15 0.00 0.00 0.00 0.00 175.10 175.04 3a1u s ALA 102 N 2.91 2.71 -0.49 5.51 0.00 0.33 -4.43 121.76 128.32 3a1u s ALA 102 Ca 0.33 -1.15 -0.27 0.00 0.00 0.00 0.00 51.96 50.87 3a1u s ALA 102 Cb -0.14 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.16 3a1u s ALA 102 CO 0.11 0.59 1.02 0.34 0.00 0.00 0.00 175.76 177.82 3a1u s ASP 103 N -1.46 6.52 0.40 0.00 2.15 -1.26 -1.24 116.67 121.77 3a1u s ASP 103 Ca 0.16 0.18 0.15 0.00 0.43 0.00 0.00 52.55 53.47 3a1u s ASP 103 Cb -0.11 -2.49 0.83 0.00 -0.30 0.00 0.00 42.92 40.86 3a1u s ASP 103 CO 0.06 -1.18 1.86 0.28 -0.17 0.00 0.00 175.17 176.03 3a1u h SER 104 N 9.20 0.00 0.14 -0.34 0.02 -1.84 -2.02 113.55 118.71 3a1u h SER 104 Ca -0.24 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 3a1u h SER 104 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3a1u h SER 104 CO 1.08 0.32 -0.45 0.58 -1.14 0.00 0.00 176.83 177.23 3a1u h VAL 105 N 0.00 1.32 -1.65 2.27 2.07 -1.86 -3.39 116.25 115.01 3a1u h VAL 105 Ca -0.00 -1.63 -0.49 0.00 0.82 0.00 0.00 66.70 65.40 3a1u h VAL 105 Cb 0.61 1.69 -0.34 0.00 -1.52 0.00 0.00 31.29 31.74 3a1u h VAL 105 CO 0.04 0.50 -0.96 -3.20 0.02 0.00 0.00 177.57 173.97 3a1u n ASN 106 N -4.00 -0.61 0.02 0.57 5.15 -0.81 -5.03 115.26 110.54 3a1u n ASN 106 Ca -0.02 -2.77 0.13 0.00 -0.60 0.00 0.00 54.58 51.33 3a1u n ASN 106 Cb 0.52 -0.09 0.41 0.00 -0.53 0.00 0.00 39.78 40.09 3a1u n ASN 106 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3a1u n PRO 107 N 1.71 0.06 -0.07 1.20 -0.04 -0.89 -4.46 135.00 132.49 3a1u n PRO 107 Ca 0.20 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 3a1u n PRO 107 Cb 0.54 -1.55 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3a1u n PRO 107 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3a1u h GLU 108 N 0.00 0.10 -0.44 0.54 5.08 -1.96 -0.43 114.58 117.48 3a1u h GLU 108 Ca 0.00 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3a1u h GLU 108 Cb 0.55 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3a1u h GLU 108 CO 0.00 0.07 -0.06 1.96 -1.00 0.00 0.00 179.01 179.98 3a1u h GLN 109 N 0.11 0.74 -0.78 2.33 1.08 -1.98 -2.12 115.11 114.49 3a1u h GLN 109 Ca 0.13 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 3a1u h GLN 109 Cb 0.17 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 3a1u h GLN 109 CO -0.21 0.79 0.50 0.77 -0.95 0.00 0.00 178.83 179.73 3a1u h SER 110 N 0.69 0.84 -0.18 1.46 0.02 -1.61 -1.79 113.55 112.98 3a1u h SER 110 Ca 0.13 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 3a1u h SER 110 Cb 0.50 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3a1u h SER 110 CO 0.03 0.59 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.97 3a1u h LEU 111 N 0.99 0.67 -0.30 5.07 3.38 -0.63 0.29 115.31 124.79 3a1u h LEU 111 Ca 0.30 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3a1u h LEU 111 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3a1u h LEU 111 CO -0.10 0.91 0.18 1.88 0.09 0.00 0.00 178.44 181.41 3a1u h TYR 112 N 0.57 0.34 -0.74 1.13 0.05 -1.04 -1.75 116.97 115.53 3a1u h TYR 112 Ca 0.07 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 3a1u h TYR 112 Cb 0.75 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 3a1u h TYR 112 CO 0.03 0.20 0.26 1.25 -1.05 0.00 0.00 178.16 178.86 3a1u h LEU 113 N 0.37 1.06 -0.52 3.88 5.85 -1.04 -2.51 115.31 122.38 3a1u h LEU 113 Ca 0.11 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.72 3a1u h LEU 113 Cb -0.01 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 3a1u h LEU 113 CO -0.04 0.97 0.18 0.25 -0.34 0.00 0.00 178.44 179.45 3a1u h LEU 114 N 1.09 0.17 -1.03 2.25 5.85 -0.61 -2.17 115.31 120.85 3a1u h LEU 114 Ca 0.24 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.05 3a1u h LEU 114 Cb 0.27 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3a1u h LEU 114 CO -0.01 0.12 0.65 -0.07 -0.34 0.00 0.00 178.44 178.79 3a1u h LEU 115 N 0.35 1.11 -0.38 2.25 3.38 -0.89 0.31 115.31 121.44 3a1u h LEU 115 Ca 0.26 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3a1u h LEU 115 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3a1u h LEU 115 CO -0.27 0.79 0.12 -0.33 0.09 0.00 0.00 178.44 178.84 3a1u h GLU 116 N 1.30 0.26 -0.23 1.13 4.39 -1.20 -2.24 114.58 118.00 3a1u h GLU 116 Ca 0.38 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.90 3a1u h GLU 116 Cb -0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3a1u h GLU 116 CO -0.10 0.17 -0.50 0.82 -1.16 0.00 0.00 179.01 178.25 3a1u h ILE 117 N 0.27 1.31 -0.54 3.13 2.04 -0.81 -2.81 117.51 120.10 3a1u h ILE 117 Ca 0.18 -1.71 0.02 0.00 1.00 0.00 0.00 64.86 64.35 3a1u h ILE 117 Cb 0.17 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3a1u h ILE 117 CO -0.20 0.54 0.36 -0.07 0.00 0.00 0.00 178.15 178.78 3a1u h LEU 118 N 0.49 0.57 -0.22 1.44 3.38 -0.78 -1.16 115.31 119.03 3a1u h LEU 118 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3a1u h LEU 118 Cb 1.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3a1u h LEU 118 CO 0.10 0.40 0.00 -0.62 0.09 0.00 0.00 178.44 178.41 3a1u n GLU 119 N -4.46 0.09 0.00 1.13 1.02 -0.86 -1.59 120.64 115.96 3a1u n GLU 119 Ca 0.06 0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 3a1u n GLU 119 Cb 0.11 -1.65 0.60 0.00 -0.02 0.00 0.00 31.44 30.48 3a1u n GLU 119 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3a1u n MET 120 N -1.81 0.16 -3.37 3.49 2.81 -0.44 -4.25 117.12 113.72 3a1u n MET 120 Ca 0.04 0.05 -0.22 0.00 -1.81 0.00 0.00 57.70 55.75 3a1u n MET 120 Cb 0.24 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.31 3a1u n MET 120 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3a1u n GLU 121 N -1.41 -6.69 -3.46 0.03 1.02 -0.62 -4.55 120.64 104.96 3a1u n GLU 121 Ca 0.09 0.82 -0.27 0.00 -0.02 0.00 0.00 57.16 57.78 3a1u n GLU 121 Cb 0.26 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 25.95 3a1u n GLU 121 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3a1u s LYS 122 N -6.06 3.56 0.07 3.49 -0.14 -1.26 -5.07 119.74 114.34 3a1u s LYS 122 Ca 0.47 -0.18 -0.31 0.00 -1.36 0.00 0.00 55.97 54.60 3a1u s LYS 122 Cb -0.21 -2.71 -0.07 0.00 -1.68 0.00 0.00 37.83 33.16 3a1u s LYS 122 CO 0.59 0.26 1.33 0.15 -0.76 0.00 0.00 175.35 176.92 3a1u s LYS 123 N -3.64 4.34 -0.02 1.68 1.02 -1.26 -4.89 119.74 116.98 3a1u s LYS 123 Ca 0.41 1.96 0.02 0.00 0.02 0.00 0.00 55.97 58.38 3a1u s LYS 123 Cb -0.11 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 3a1u s LYS 123 CO 0.31 -0.42 -0.07 0.08 -0.92 0.00 0.00 175.35 174.33 3a1u s VAL 124 N 1.38 0.61 -0.13 3.17 1.01 -1.26 -0.61 120.40 124.57 3a1u s VAL 124 Ca 0.63 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3a1u s VAL 124 Cb -0.33 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3a1u s VAL 124 CO 0.29 0.19 -0.08 -0.63 0.00 0.00 0.00 175.10 174.88 3a1u s ILE 125 N 0.16 3.56 -0.32 2.22 1.01 0.15 -4.26 121.20 123.71 3a1u s ILE 125 Ca -0.02 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 3a1u s ILE 125 Cb -0.07 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3a1u s ILE 125 CO 0.00 0.52 0.75 -0.22 0.00 0.00 0.00 174.94 175.99 3a1u s LEU 126 N 0.20 4.11 -0.40 2.97 2.96 -0.49 -1.09 118.68 126.95 3a1u s LEU 126 Ca -0.05 0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 54.27 3a1u s LEU 126 Cb -0.14 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.56 3a1u s LEU 126 CO 0.04 -0.61 0.26 0.00 -1.32 0.00 0.00 176.35 174.72 3a1u s ALA 127 N 2.92 3.40 -0.79 5.97 0.00 -0.21 -1.04 121.76 132.00 3a1u s ALA 127 Ca 0.31 -1.72 -0.23 0.00 0.00 0.00 0.00 51.96 50.31 3a1u s ALA 127 Cb -0.14 -2.77 0.06 0.00 0.00 0.00 0.00 23.12 20.28 3a1u s ALA 127 CO 0.13 -1.43 1.18 -1.64 0.00 0.00 0.00 175.76 174.00 3a1u s MET 128 N 1.63 3.30 0.66 0.00 1.00 -0.28 -0.51 119.30 125.09 3a1u s MET 128 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 55.69 54.92 3a1u s MET 128 Cb -0.19 -4.52 0.11 0.00 0.00 0.00 0.00 34.83 30.22 3a1u s MET 128 CO 0.09 -1.99 0.90 -0.08 0.00 0.00 0.00 175.02 173.94 3a1u s THR 129 N 4.54 2.19 -1.32 2.05 -1.32 -0.37 -0.60 115.64 120.81 3a1u s THR 129 Ca 0.32 -0.75 -0.03 0.00 -1.21 0.00 0.00 61.69 60.02 3a1u s THR 129 Cb -0.09 -2.44 0.02 0.00 -1.51 0.00 0.00 72.50 68.48 3a1u s THR 129 CO 0.05 0.00 0.26 0.00 -2.21 0.00 0.00 174.62 172.72 3a1u n ALA 130 N -2.59 -0.88 0.25 11.08 0.00 -0.83 -2.89 120.51 124.65 3a1u n ALA 130 Ca 0.15 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.82 3a1u n ALA 130 Cb 0.61 -2.43 0.64 0.00 0.00 0.00 0.00 19.45 18.27 3a1u n ALA 130 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a1u h ILE 131 N -0.55 0.87 -0.64 0.00 6.09 -1.44 -0.76 117.51 121.07 3a1u h ILE 131 Ca -0.41 -0.43 0.02 0.00 -1.37 0.00 0.00 64.86 62.67 3a1u h ILE 131 Cb 1.29 1.25 -0.03 0.00 0.47 0.00 0.00 36.82 39.79 3a1u h ILE 131 CO 0.47 0.11 0.43 -2.24 -3.07 0.00 0.00 178.15 173.85 3a1u h ASP 132 N 0.00 0.69 0.32 2.19 2.03 -1.88 -1.09 116.42 118.69 3a1u h ASP 132 Ca -0.00 -0.01 -0.33 0.00 -0.73 0.00 0.00 57.03 55.96 3a1u h ASP 132 Cb 0.24 -0.17 0.03 0.00 -0.83 0.00 0.00 39.33 38.60 3a1u h ASP 132 CO 0.02 0.49 -1.49 -0.08 -1.03 0.00 0.00 179.24 177.15 3a1u h GLU 133 N 0.81 0.47 -0.69 4.15 4.57 -1.56 -3.34 114.58 118.98 3a1u h GLU 133 Ca 0.25 -0.80 0.02 0.00 -1.18 0.00 0.00 59.36 57.64 3a1u h GLU 133 Cb -0.00 0.30 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 3a1u h GLU 133 CO -0.06 1.38 0.45 0.00 -1.18 0.00 0.00 179.01 179.60 3a1u h ALA 134 N 0.23 0.89 -0.18 2.92 0.00 -0.83 -2.70 119.26 119.60 3a1u h ALA 134 Ca -0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3a1u h ALA 134 Cb 2.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3a1u h ALA 134 CO 0.25 0.27 -0.16 1.57 0.00 0.00 0.00 179.25 181.17 3a1u h LYS 135 N 0.91 0.30 -0.14 0.00 2.10 -1.35 -2.28 116.57 116.11 3a1u h LYS 135 Ca 0.26 -0.08 0.04 0.00 -2.00 0.00 0.00 60.65 58.87 3a1u h LYS 135 Cb -0.06 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 3a1u h LYS 135 CO -0.08 0.47 0.22 0.87 -2.00 0.00 0.00 179.45 178.93 3a1u h LYS 136 N 0.28 0.00 0.00 0.07 1.57 -1.60 -1.30 116.57 115.60 3a1u h LYS 136 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3a1u h LYS 136 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3a1u h LYS 136 CO 0.03 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 3a1u n THR 137 N -3.50 0.56 -0.40 -0.16 -2.24 -0.86 -4.89 114.28 102.80 3a1u n THR 137 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3a1u n THR 137 Cb 0.33 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3a1u n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1u n GLY 138 N 1.16 1.01 3.72 3.38 0.00 -0.49 -5.03 105.19 108.94 3a1u n GLY 138 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3a1u n GLY 138 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3a1u n MET 139 N -2.00 1.42 -3.93 1.61 0.00 -1.26 -5.01 117.12 107.95 3a1u n MET 139 Ca 0.00 0.53 -0.34 0.00 0.00 0.00 0.00 57.70 57.89 3a1u n MET 139 Cb 0.00 -2.50 -0.14 0.00 0.00 0.00 0.00 33.22 30.58 3a1u n MET 139 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3a1u s LYS 140 N -2.98 2.41 -0.26 2.12 2.20 -1.26 -4.82 119.74 117.14 3a1u s LYS 140 Ca 0.75 -1.27 -0.08 0.00 -0.36 0.00 0.00 55.97 55.00 3a1u s LYS 140 Cb -0.41 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3a1u s LYS 140 CO 0.46 -0.61 0.11 0.42 -0.36 0.00 0.00 175.35 175.37 3a1u s ILE 141 N 1.23 4.58 -0.60 5.43 1.01 -1.26 -0.70 121.20 130.89 3a1u s ILE 141 Ca -0.06 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 3a1u s ILE 141 Cb -0.20 -3.18 0.10 0.00 0.01 0.00 0.00 42.46 39.20 3a1u s ILE 141 CO -0.02 0.28 0.72 -0.62 0.00 0.00 0.00 174.94 175.31 3a1u s ASP 142 N 1.65 6.20 0.40 3.58 -1.08 0.19 -4.91 116.67 122.70 3a1u s ASP 142 Ca 0.06 -1.45 0.07 0.00 -0.52 0.00 0.00 52.55 50.71 3a1u s ASP 142 Cb -0.16 -2.31 0.84 0.00 -1.46 0.00 0.00 42.92 39.84 3a1u s ASP 142 CO 0.06 -1.12 2.05 -0.09 0.52 0.00 0.00 175.17 176.59 3a1u h ARG 143 N 9.17 0.55 -0.40 4.34 2.43 -1.97 -1.95 114.38 126.56 3a1u h ARG 143 Ca -0.28 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3a1u h ARG 143 Cb 1.08 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3a1u h ARG 143 CO 1.10 0.37 0.20 -0.92 -1.51 0.00 0.00 179.97 179.21 3a1u h TYR 144 N 0.56 0.57 -0.61 2.20 3.20 -1.98 -1.32 116.97 119.59 3a1u h TYR 144 Ca 0.15 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3a1u h TYR 144 Cb -0.04 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3a1u h TYR 144 CO 0.00 0.46 0.16 0.93 -1.64 0.00 0.00 178.16 178.08 3a1u h GLU 145 N 0.50 0.95 -0.45 1.82 4.39 -1.74 0.19 114.58 120.25 3a1u h GLU 145 Ca 0.14 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3a1u h GLU 145 Cb 0.10 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3a1u h GLU 145 CO -0.02 0.84 0.21 -0.07 -1.16 0.00 0.00 179.01 178.81 3a1u h LEU 146 N 0.91 0.59 -0.84 1.33 3.38 -1.17 -1.04 115.31 118.46 3a1u h LEU 146 Ca 0.20 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3a1u h LEU 146 Cb 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3a1u h LEU 146 CO -0.00 0.55 0.09 1.56 0.09 0.00 0.00 178.44 180.73 3a1u h GLN 147 N 0.58 0.95 -0.41 1.13 4.20 -0.95 -0.64 115.11 119.97 3a1u h GLN 147 Ca 0.15 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3a1u h GLN 147 Cb 0.12 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3a1u h GLN 147 CO -0.02 0.89 0.18 -0.22 -0.67 0.00 0.00 178.83 178.98 3a1u h LYS 148 N 0.90 0.60 0.00 1.46 3.64 -0.66 0.31 116.57 122.82 3a1u h LYS 148 Ca 0.18 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3a1u h LYS 148 Cb 0.40 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3a1u h LYS 148 CO 0.01 0.55 -0.72 0.45 -2.27 0.00 0.00 179.45 177.47 3a1u h HIS 149 N 0.52 0.00 0.00 1.91 3.86 -1.08 -3.36 115.15 117.00 3a1u h HIS 149 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3a1u h HIS 149 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3a1u h HIS 149 CO -0.00 0.09 -1.59 1.28 0.86 0.00 0.00 177.93 178.56 3a1u n LEU 150 N -2.86 0.01 -0.85 2.43 4.77 -0.26 -5.01 117.00 115.24 3a1u n LEU 150 Ca 0.00 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3a1u n LEU 150 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 3a1u n LEU 150 CO 0.39 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.96 3a1u n GLY 151 N 1.74 0.76 3.23 -0.72 0.00 0.09 -5.01 105.19 105.28 3a1u n GLY 151 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3a1u n GLY 151 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1u s ILE 152 N -2.39 0.60 0.42 -0.61 -4.36 -1.25 -5.08 121.20 108.52 3a1u s ILE 152 Ca 0.00 -1.97 -0.25 0.00 -0.26 0.00 0.00 60.65 58.17 3a1u s ILE 152 Cb 0.00 -2.11 -0.08 0.00 1.25 0.00 0.00 42.46 41.52 3a1u s ILE 152 CO 0.00 -0.48 1.24 -2.84 0.24 0.00 0.00 174.94 173.10 3a1u s PRO 153 N -3.93 3.90 -0.06 0.37 0.02 -1.26 -4.53 135.00 129.50 3a1u s PRO 153 Ca 0.24 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.29 3a1u s PRO 153 Cb 0.06 -2.64 0.01 0.00 0.02 0.00 0.00 34.50 31.95 3a1u s PRO 153 CO 0.04 -0.50 -0.15 0.08 -0.33 0.00 0.00 177.00 176.14 3a1u s VAL 154 N -1.36 1.29 -0.07 3.83 1.01 -1.26 -1.40 120.40 122.45 3a1u s VAL 154 Ca 0.59 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3a1u s VAL 154 Cb -0.34 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 34.91 3a1u s VAL 154 CO 0.43 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 175.16 3a1u s VAL 155 N 0.41 0.75 0.00 2.92 1.01 -0.21 -4.99 120.40 120.29 3a1u s VAL 155 Ca -0.11 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 3a1u s VAL 155 Cb -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3a1u s VAL 155 CO 0.04 0.29 1.11 -0.36 0.00 0.00 0.00 175.10 176.17 3a1u s PHE 156 N 1.15 3.47 0.12 5.22 0.08 -1.26 -1.13 117.98 125.63 3a1u s PHE 156 Ca -0.07 1.45 0.05 0.00 0.12 0.00 0.00 56.93 58.48 3a1u s PHE 156 Cb -0.14 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 38.97 3a1u s PHE 156 CO -0.01 -0.76 -0.13 0.95 -0.10 0.00 0.00 175.22 175.17 3a1u s THR 157 N 1.34 1.22 -0.05 0.64 -4.23 0.23 -3.79 115.64 111.01 3a1u s THR 157 Ca 0.55 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3a1u s THR 157 Cb -0.25 -1.49 0.03 0.00 1.34 0.00 0.00 72.50 72.13 3a1u s THR 157 CO 0.26 -0.46 0.02 -0.55 -0.54 0.00 0.00 174.62 173.36 3a1u s SER 158 N -2.46 1.02 0.13 3.99 0.15 -0.05 -1.50 113.70 114.98 3a1u s SER 158 Ca 0.08 -0.01 0.26 0.00 0.70 0.00 0.00 55.95 56.98 3a1u s SER 158 Cb -0.04 -0.26 0.95 0.00 -1.71 0.00 0.00 66.02 64.96 3a1u s SER 158 CO 0.02 -0.18 1.79 -1.20 1.20 0.00 0.00 173.24 174.87 3a1u n SER 159 N 4.85 0.45 -0.09 5.45 7.64 -1.26 -1.32 113.62 129.34 3a1u n SER 159 Ca -0.13 0.56 -0.17 0.00 1.01 0.00 0.00 58.87 60.14 3a1u n SER 159 Cb 0.50 -0.67 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 3a1u n SER 159 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3a1u h VAL 160 N 0.00 1.14 0.00 0.44 2.07 -1.95 -3.41 116.25 114.54 3a1u h VAL 160 Ca 0.00 -2.11 -0.09 0.00 0.82 0.00 0.00 66.70 65.32 3a1u h VAL 160 Cb 0.56 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3a1u h VAL 160 CO 0.00 0.39 -1.70 0.35 0.02 0.00 0.00 177.57 176.63 3a1u n THR 161 N -4.53 0.59 -0.20 2.57 -2.24 -1.25 -4.97 114.28 104.25 3a1u n THR 161 Ca -0.21 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3a1u n THR 161 Cb 0.55 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3a1u n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1u n GLY 162 N 1.34 0.67 3.60 3.38 0.00 -0.43 -5.03 105.19 108.73 3a1u n GLY 162 Ca -0.08 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.43 3a1u n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a1u n GLU 163 N -2.00 1.34 -0.11 1.61 2.13 -1.23 -2.21 120.64 120.16 3a1u n GLU 163 Ca 0.00 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.30 3a1u n GLU 163 Cb 0.00 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 29.58 3a1u n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1u n GLY 164 N 2.61 2.47 0.14 8.31 0.00 -1.25 -0.87 105.19 116.60 3a1u n GLY 164 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3a1u n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1u h LEU 165 N 0.00 0.35 -0.61 0.99 3.38 -1.72 0.19 115.31 117.89 3a1u h LEU 165 Ca 0.00 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3a1u h LEU 165 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3a1u h LEU 165 CO 0.00 0.31 -0.21 -0.33 0.09 0.00 0.00 178.44 178.30 3a1u h GLU 166 N 0.35 0.88 -0.55 1.13 4.39 -1.90 -0.97 114.58 117.91 3a1u h GLU 166 Ca 0.10 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 3a1u h GLU 166 Cb 0.04 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3a1u h GLU 166 CO -0.02 1.01 0.26 0.93 -1.16 0.00 0.00 179.01 180.03 3a1u h GLU 167 N 0.77 0.78 -0.41 2.33 5.08 -1.87 -0.64 114.58 120.61 3a1u h GLU 167 Ca 0.10 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 3a1u h GLU 167 Cb 0.75 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3a1u h GLU 167 CO 0.06 0.61 -0.34 1.25 -1.00 0.00 0.00 179.01 179.59 3a1u h LEU 168 N 0.78 1.01 -0.73 1.33 5.85 -0.18 -1.59 115.31 121.77 3a1u h LEU 168 Ca 0.19 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3a1u h LEU 168 Cb 0.09 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3a1u h LEU 168 CO -0.02 1.24 0.44 0.11 -0.34 0.00 0.00 178.44 179.87 3a1u h LYS 169 N 0.79 0.99 -0.44 1.25 1.57 -0.67 -0.46 116.57 119.60 3a1u h LYS 169 Ca 0.07 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3a1u h LYS 169 Cb 0.93 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3a1u h LYS 169 CO 0.09 0.70 0.28 1.49 -0.57 0.00 0.00 179.45 181.44 3a1u h GLU 170 N 1.00 0.58 -0.60 3.15 4.57 -0.96 -2.65 114.58 119.67 3a1u h GLU 170 Ca 0.26 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3a1u h GLU 170 Cb -0.03 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3a1u h GLU 170 CO -0.05 0.41 0.11 0.87 -1.18 0.00 0.00 179.01 179.17 3a1u h LYS 171 N 0.58 0.95 0.15 1.92 1.79 -0.96 -1.64 116.57 119.36 3a1u h LYS 171 Ca 0.16 -0.23 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3a1u h LYS 171 Cb -0.04 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 3a1u h LYS 171 CO -0.03 0.87 -0.26 0.82 -1.08 0.00 0.00 179.45 179.77 3a1u h ILE 172 N 0.90 0.44 -0.21 1.86 2.04 -0.84 0.23 117.51 121.93 3a1u h ILE 172 Ca 0.19 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.91 3a1u h ILE 172 Cb 0.37 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3a1u h ILE 172 CO 0.01 0.00 -0.44 -0.37 0.00 0.00 0.00 178.15 177.35 3a1u h VAL 173 N -0.48 1.31 -0.35 1.67 -1.51 -1.42 -1.24 116.25 114.23 3a1u h VAL 173 Ca 0.02 -1.62 -0.01 0.00 -1.23 0.00 0.00 66.70 63.86 3a1u h VAL 173 Cb 0.49 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 31.26 3a1u h VAL 173 CO -0.13 0.51 0.16 -0.08 -1.23 0.00 0.00 177.57 176.80 3a1u h GLU 174 N 0.42 0.51 -0.16 5.19 4.81 -1.18 -3.13 114.58 121.04 3a1u h GLU 174 Ca 0.03 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 3a1u h GLU 174 Cb 0.94 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 3a1u h GLU 174 CO 0.08 0.46 -0.61 -0.92 -0.73 0.00 0.00 179.01 177.30 3a1u h TYR 175 N 0.43 0.69 0.00 0.92 5.03 -0.85 -2.99 116.97 120.20 3a1u h TYR 175 Ca 0.12 -0.26 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 3a1u h TYR 175 Cb 0.13 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 3a1u h TYR 175 CO -0.01 1.00 -0.01 0.00 -1.32 0.00 0.00 178.16 177.82 3a1u h ALA 176 N 0.94 1.56 0.00 1.82 0.00 -1.20 -1.95 119.26 120.42 3a1u h ALA 176 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a1u h ALA 176 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3a1u h ALA 176 CO 0.11 0.02 -0.16 -0.56 0.00 0.00 0.00 179.25 178.66 3a1u h GLN 177 N 0.00 0.00 -7.19 0.00 -0.00 -1.47 -3.46 115.11 102.99 3a1u h GLN 177 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 3a1u h GLN 177 Cb 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 27.48 27.59 3a1u h GLN 177 CO 0.00 0.00 0.38 -1.59 -0.00 0.00 0.00 178.83 177.62 3a1u s LYS 178 N -3.21 3.16 0.00 0.06 -2.85 -0.74 -5.15 119.74 111.02 3a1u s LYS 178 Ca 0.07 1.29 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 3a1u s LYS 178 Cb 0.07 -2.01 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 3a1u s LYS 178 CO 0.68 -0.95 0.39 0.27 0.10 0.00 0.00 175.35 175.83 3a1u n ASN 179 N -2.10 0.00 -3.57 0.03 2.04 -1.26 -5.07 115.26 105.33 3a1u n ASN 179 Ca 0.09 0.43 -0.11 0.00 -0.44 0.00 0.00 54.58 54.56 3a1u n ASN 179 Cb 0.52 -0.13 -0.05 0.00 -2.53 0.00 0.00 39.78 37.60 3a1u n ASN 179 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 3a1u s ARG 184 N -1.02 0.65 0.22 -3.83 1.81 -1.26 -5.15 118.95 110.37 3a1u s ARG 184 Ca 0.00 0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 53.84 3a1u s ARG 184 Cb 0.00 0.31 -0.09 0.00 -0.45 0.00 0.00 34.95 34.71 3a1u s ARG 184 CO 0.00 -0.21 1.38 1.41 -0.68 0.00 0.00 175.30 177.20 3a1u s MET 185 N -1.22 4.33 0.60 3.54 0.00 -1.26 -5.01 119.30 120.28 3a1u s MET 185 Ca -0.02 2.18 -0.14 0.00 0.00 0.00 0.00 55.69 57.71 3a1u s MET 185 Cb -0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 34.83 31.63 3a1u s MET 185 CO 0.02 -0.34 1.03 0.96 0.00 0.00 0.00 175.02 176.68 3a1u s ILE 186 N 0.11 4.34 -0.37 10.11 -4.36 -1.26 -5.02 121.20 124.76 3a1u s ILE 186 Ca 0.58 0.93 -0.22 0.00 -0.26 0.00 0.00 60.65 61.69 3a1u s ILE 186 Cb -0.39 -3.63 0.01 0.00 1.25 0.00 0.00 42.46 39.69 3a1u s ILE 186 CO 0.40 -0.83 0.72 -0.22 0.24 0.00 0.00 174.94 175.25 3a1u s LEU 187 N -4.79 4.20 -0.14 0.37 2.96 -1.26 -5.02 118.68 115.00 3a1u s LEU 187 Ca 0.58 0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 54.43 3a1u s LEU 187 Cb -0.12 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 3a1u s LEU 187 CO 0.44 -0.68 1.23 -0.62 -1.32 0.00 0.00 176.35 175.40 3a1u s ASP 188 N 1.83 6.98 -0.04 3.68 -1.08 -1.26 -4.91 116.67 121.87 3a1u s ASP 188 Ca 0.28 1.70 0.19 0.00 -0.52 0.00 0.00 52.55 54.20 3a1u s ASP 188 Cb -0.14 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.39 3a1u s ASP 188 CO 0.16 -0.71 1.50 -1.22 0.52 0.00 0.00 175.17 175.42 3a1u n TYR 189 N 6.26 1.04 0.00 -5.34 4.01 -1.26 -5.05 117.16 116.83 3a1u n TYR 189 Ca 0.13 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 3a1u n TYR 189 Cb 0.45 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 3a1u n TYR 189 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a1u n GLY 190 N 1.37 0.90 0.15 2.72 0.00 -1.26 -4.44 105.19 104.63 3a1u n GLY 190 Ca 0.22 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.36 3a1u n GLY 190 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a1u h GLU 191 N 0.00 0.05 0.56 1.61 5.08 -1.99 -1.26 114.58 118.63 3a1u h GLU 191 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3a1u h GLU 191 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.24 3a1u h GLU 191 CO 0.00 0.03 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.55 3a1u h LYS 192 N 0.05 -0.72 -0.46 2.33 1.63 -2.00 -1.40 116.57 116.00 3a1u h LYS 192 Ca 0.17 0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.97 3a1u h LYS 192 Cb 0.24 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 3a1u h LYS 192 CO -0.32 -0.45 0.09 0.28 -3.45 0.00 0.00 179.45 175.61 3a1u h VAL 193 N -0.84 1.24 -0.86 2.00 2.07 -1.75 -1.94 116.25 116.16 3a1u h VAL 193 Ca -0.08 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3a1u h VAL 193 Cb 0.61 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3a1u h VAL 193 CO 0.13 0.30 0.55 -0.33 0.02 0.00 0.00 177.57 178.23 3a1u h GLU 194 N 0.61 1.15 -0.58 1.57 4.39 -1.24 0.44 114.58 120.92 3a1u h GLU 194 Ca 0.14 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3a1u h GLU 194 Cb 0.35 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3a1u h GLU 194 CO 0.00 0.78 0.20 1.03 -1.16 0.00 0.00 179.01 179.86 3a1u h SER 195 N 1.17 0.83 -0.49 1.42 0.87 -0.93 -1.61 113.55 114.81 3a1u h SER 195 Ca 0.31 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 3a1u h SER 195 Cb -0.10 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 3a1u h SER 195 CO -0.06 0.81 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.51 3a1u h GLU 196 N 0.81 1.00 -0.82 2.24 4.39 -0.87 -2.33 114.58 119.00 3a1u h GLU 196 Ca 0.19 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.54 3a1u h GLU 196 Cb 0.26 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 3a1u h GLU 196 CO -0.01 1.10 0.50 0.82 -1.16 0.00 0.00 179.01 180.25 3a1u h ILE 197 N 0.85 1.00 -0.73 3.13 2.04 -0.76 -0.74 117.51 122.31 3a1u h ILE 197 Ca 0.11 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3a1u h ILE 197 Cb 0.78 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3a1u h ILE 197 CO 0.06 0.16 0.27 0.50 0.00 0.00 0.00 178.15 179.15 3a1u h LYS 198 N 0.89 1.11 -0.59 2.37 1.63 -1.02 0.83 116.57 121.79 3a1u h LYS 198 Ca 0.37 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 3a1u h LYS 198 Cb 0.21 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3a1u h LYS 198 CO -0.19 0.93 0.13 0.87 -3.45 0.00 0.00 179.45 177.74 3a1u h LYS 199 N 1.06 0.96 -0.25 1.90 1.57 -0.87 -0.75 116.57 120.19 3a1u h LYS 199 Ca 0.24 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3a1u h LYS 199 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3a1u h LYS 199 CO -0.02 0.89 0.05 0.28 -0.57 0.00 0.00 179.45 180.08 3a1u h VAL 200 N 0.87 1.22 -0.77 0.50 2.07 -0.75 -2.55 116.25 116.84 3a1u h VAL 200 Ca 0.18 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3a1u h VAL 200 Cb 0.37 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3a1u h VAL 200 CO 0.01 0.24 0.48 -0.33 0.02 0.00 0.00 177.57 177.98 3a1u h GLU 201 N 0.22 0.89 -0.55 1.57 5.08 -0.68 -0.44 114.58 120.67 3a1u h GLU 201 Ca 0.08 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3a1u h GLU 201 Cb 0.31 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3a1u h GLU 201 CO 0.00 0.59 0.34 -0.91 -1.00 0.00 0.00 179.01 178.03 3a1u h ASN 202 N 0.92 0.55 0.21 1.42 -0.26 -1.05 -2.15 115.58 115.22 3a1u h ASN 202 Ca 0.32 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.97 3a1u h ASN 202 Cb 0.06 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 3a1u h ASN 202 CO -0.13 0.38 -0.35 0.15 -1.06 0.00 0.00 177.43 176.43 3a1u h PHE 203 N 0.67 0.24 -0.00 1.19 3.04 -0.98 -2.97 116.94 118.13 3a1u h PHE 203 Ca 0.22 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.12 3a1u h PHE 203 Cb 0.02 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.47 3a1u h PHE 203 CO -0.06 0.54 -0.12 1.28 -2.02 0.00 0.00 178.31 177.93 3a1u n LEU 204 N -4.08 0.32 -0.23 0.59 4.77 -0.23 -4.26 117.00 113.88 3a1u n LEU 204 Ca -0.01 0.13 0.07 0.00 -0.03 0.00 0.00 56.01 56.17 3a1u n LEU 204 Cb 0.43 -0.26 0.34 0.00 -2.33 0.00 0.00 43.42 41.59 3a1u n LEU 204 CO 0.41 0.06 1.22 -0.09 -1.33 0.00 0.00 177.39 177.66 3a1u h ARG 205 N 0.32 0.77 -0.63 3.23 2.43 -1.23 -1.34 114.38 117.93 3a1u h ARG 205 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3a1u h ARG 205 Cb 0.39 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3a1u h ARG 205 CO 0.00 0.51 0.00 -0.40 -1.51 0.00 0.00 179.97 178.57 3a1u n ASP 206 N -4.50 4.63 -0.99 -3.80 3.85 -1.26 -4.54 116.55 109.94 3a1u n ASP 206 Ca 0.13 -2.44 0.10 0.00 -0.71 0.00 0.00 54.79 51.87 3a1u n ASP 206 Cb 0.28 -0.56 0.26 0.00 -1.35 0.00 0.00 41.12 39.75 3a1u n ASP 206 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3a1u n LYS 207 N 1.06 2.26 -2.73 0.11 4.76 -0.51 -4.95 118.16 118.17 3a1u n LYS 207 Ca 0.25 -1.94 -0.18 0.00 -2.87 0.00 0.00 58.31 53.57 3a1u n LYS 207 Cb 0.86 -1.45 0.02 0.00 -1.84 0.00 0.00 35.03 32.62 3a1u n LYS 207 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3a1u n LYS 208 N 1.10 -3.28 -1.88 1.97 4.76 -1.26 -4.95 118.16 114.61 3a1u n LYS 208 Ca 0.19 0.75 -0.39 0.00 -2.87 0.00 0.00 58.31 55.99 3a1u n LYS 208 Cb 0.48 -5.22 0.02 0.00 -1.84 0.00 0.00 35.03 28.47 3a1u n LYS 208 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3a1u s LEU 209 N -5.27 4.04 -0.11 -0.35 1.43 -1.26 -4.90 118.68 112.26 3a1u s LEU 209 Ca 0.18 2.76 0.14 0.00 -1.03 0.00 0.00 54.13 56.19 3a1u s LEU 209 Cb -0.08 -4.06 0.41 0.00 0.03 0.00 0.00 46.19 42.49 3a1u s LEU 209 CO 0.23 -1.21 1.33 0.54 0.23 0.00 0.00 176.35 177.46 3a1u n ARG 210 N -0.42 2.78 -4.69 1.70 5.12 -1.26 -4.95 116.66 114.94 3a1u n ARG 210 Ca 0.07 -2.50 -0.29 0.00 -1.93 0.00 0.00 57.85 53.19 3a1u n ARG 210 Cb 0.44 -1.59 -0.14 0.00 -1.16 0.00 0.00 32.46 30.00 3a1u n ARG 210 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3a1u s ILE 211 N -2.17 2.14 0.00 0.55 -1.09 -1.26 -5.04 121.20 114.33 3a1u s ILE 211 Ca 0.33 -1.51 -0.36 0.00 -2.23 0.00 0.00 60.65 56.88 3a1u s ILE 211 Cb 0.25 -1.86 -0.15 0.00 -1.58 0.00 0.00 42.46 39.13 3a1u s ILE 211 CO 0.10 0.25 1.59 -3.20 -1.23 0.00 0.00 174.94 172.45 3a1u n ASN 212 N 1.46 2.56 -0.17 3.58 2.85 -1.26 -4.88 115.26 119.38 3a1u n ASN 212 Ca -0.17 1.07 -0.01 0.00 -0.11 0.00 0.00 54.58 55.35 3a1u n ASN 212 Cb 0.52 -1.28 0.21 0.00 1.24 0.00 0.00 39.78 40.47 3a1u n ASN 212 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3a1u h PRO 213 N 6.36 0.91 -0.60 1.20 0.11 -1.97 -1.39 132.00 136.62 3a1u h PRO 213 Ca -0.47 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 65.48 3a1u h PRO 213 Cb 1.30 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3a1u h PRO 213 CO 0.88 0.71 0.21 -0.09 -0.21 0.00 0.00 178.00 179.50 3a1u h ARG 214 N 0.91 0.92 -0.30 1.05 2.43 -1.91 -0.08 114.38 117.40 3a1u h ARG 214 Ca 0.22 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3a1u h ARG 214 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3a1u h ARG 214 CO -0.03 0.81 0.14 -0.92 -1.51 0.00 0.00 179.97 178.46 3a1u h TYR 215 N 0.85 0.43 -0.30 2.20 3.20 -1.62 -1.08 116.97 120.65 3a1u h TYR 215 Ca 0.20 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3a1u h TYR 215 Cb 0.25 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 3a1u h TYR 215 CO 0.02 0.38 0.04 0.35 -1.64 0.00 0.00 178.16 177.31 3a1u h PHE 216 N 0.35 0.06 -0.23 -3.82 3.04 -1.08 -2.08 116.94 113.19 3a1u h PHE 216 Ca 0.10 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.10 3a1u h PHE 216 Cb 0.11 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 3a1u h PHE 216 CO -0.02 -0.00 0.05 0.00 -2.02 0.00 0.00 178.31 176.32 3a1u h ALA 217 N 1.23 0.24 -0.62 2.41 0.00 -0.73 0.98 119.26 122.77 3a1u h ALA 217 Ca 0.14 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3a1u h ALA 217 Cb 0.16 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3a1u h ALA 217 CO -0.20 -0.37 0.33 -0.07 0.00 0.00 0.00 179.25 178.94 3a1u h LEU 218 N 0.14 0.48 -0.35 0.00 3.38 -0.98 0.11 115.31 118.09 3a1u h LEU 218 Ca 0.10 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3a1u h LEU 218 Cb 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3a1u h LEU 218 CO -0.13 0.32 -0.34 0.11 0.09 0.00 0.00 178.44 178.49 3a1u h LYS 219 N 0.62 0.84 -0.08 1.13 1.79 -0.92 -1.60 116.57 118.36 3a1u h LYS 219 Ca 0.28 -0.44 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3a1u h LYS 219 Cb 0.17 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3a1u h LYS 219 CO -0.18 1.08 0.05 -0.92 -1.08 0.00 0.00 179.45 178.40 3a1u h TYR 220 N 0.63 0.10 -0.45 -1.35 5.03 -0.53 -1.04 116.97 119.36 3a1u h TYR 220 Ca 0.06 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 3a1u h TYR 220 Cb 0.93 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.15 3a1u h TYR 220 CO 0.07 0.11 0.23 -0.07 -1.32 0.00 0.00 178.16 177.18 3a1u h LEU 221 N 0.06 0.54 -0.01 2.82 3.38 -0.76 -1.92 115.31 119.43 3a1u h LEU 221 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a1u h LEU 221 Cb 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3a1u h LEU 221 CO -0.00 0.45 -0.00 -1.20 0.09 0.00 0.00 178.44 177.78 3a1u n SER 222 N -4.41 0.01 -1.05 -0.43 7.64 -0.61 -4.24 113.62 110.53 3a1u n SER 222 Ca 0.03 -0.95 -0.10 0.00 1.01 0.00 0.00 58.87 58.87 3a1u n SER 222 Cb 0.11 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 3a1u n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a1u n GLY 223 N 1.02 0.12 3.69 0.23 0.00 -0.72 -4.67 105.19 104.87 3a1u n GLY 223 Ca 0.23 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 3a1u n GLY 223 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1u n ASP 224 N 0.19 3.28 -0.26 1.61 2.03 -0.44 -4.79 116.55 118.17 3a1u n ASP 224 Ca -0.11 1.12 0.07 0.00 0.52 0.00 0.00 54.79 56.39 3a1u n ASP 224 Cb 0.55 -1.49 0.21 0.00 -0.72 0.00 0.00 41.12 39.67 3a1u n ASP 224 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a1u h PRO 225 N 5.17 0.21 0.08 -0.67 0.11 -1.90 0.62 132.00 135.63 3a1u h PRO 225 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3a1u h PRO 225 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3a1u h PRO 225 CO 0.83 0.14 -0.04 1.49 -0.21 0.00 0.00 178.00 180.21 3a1u h GLU 226 N 0.22 -0.10 -0.15 1.05 4.81 -1.90 -3.32 114.58 115.19 3a1u h GLU 226 Ca 0.45 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.55 3a1u h GLU 226 Cb 0.82 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3a1u h GLU 226 CO -0.58 0.18 -0.50 0.74 -0.73 0.00 0.00 179.01 178.11 3a1u h PHE 227 N -1.00 0.50 0.02 0.92 0.04 -1.84 -1.71 116.94 113.87 3a1u h PHE 227 Ca -0.01 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 3a1u h PHE 227 Cb 0.32 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.37 3a1u h PHE 227 CO 0.07 0.83 -0.01 -0.92 -0.60 0.00 0.00 178.31 177.67 3a1u h TYR 228 N 0.32 -0.03 -0.64 -0.55 3.20 -1.06 0.10 116.97 118.31 3a1u h TYR 228 Ca 0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3a1u h TYR 228 Cb 0.99 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 3a1u h TYR 228 CO 0.03 0.20 0.26 0.66 -1.64 0.00 0.00 178.16 177.67 3a1u h SER 229 N -0.26 0.89 0.01 -2.11 4.64 -1.65 -1.59 113.55 113.47 3a1u h SER 229 Ca -0.00 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.05 3a1u h SER 229 Cb 0.24 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3a1u h SER 229 CO 0.01 0.82 -0.28 -0.08 -0.87 0.00 0.00 176.83 176.42 3a1u h GLU 230 N 0.90 0.42 -0.27 4.77 4.81 -1.28 -1.46 114.58 122.47 3a1u h GLU 230 Ca 0.21 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3a1u h GLU 230 Cb 0.21 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3a1u h GLU 230 CO -0.02 0.66 0.10 0.78 -0.73 0.00 0.00 179.01 179.80 3a1u h GLY 231 N 1.04 0.44 1.11 1.92 0.00 -0.46 -1.63 103.07 105.49 3a1u h GLY 231 Ca 0.05 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 3a1u h GLY 231 CO 0.05 0.24 0.22 -2.08 0.00 0.00 0.00 176.54 174.97 3a1u h VAL 232 N 0.28 1.26 -0.42 4.60 2.07 -1.19 -1.27 116.25 121.57 3a1u h VAL 232 Ca 0.09 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3a1u h VAL 232 Cb 0.21 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3a1u h VAL 232 CO -0.00 0.35 0.28 0.11 0.02 0.00 0.00 177.57 178.33 3a1u h LYS 233 N 1.07 0.53 0.00 1.57 1.57 -1.09 -1.25 116.57 118.97 3a1u h LYS 233 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3a1u h LYS 233 Cb 0.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3a1u h LYS 233 CO -0.01 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.50 3a1u n LEU 234 N -4.48 0.05 0.00 2.94 4.77 -0.63 -4.88 117.00 114.77 3a1u n LEU 234 Ca 0.04 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3a1u n LEU 234 Cb 0.08 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3a1u n LEU 234 CO 0.35 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3a1u n GLY 235 N 0.93 0.95 3.78 -0.72 0.00 -0.47 -5.10 105.19 104.56 3a1u n GLY 235 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3a1u n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1u s LEU 236 N 0.00 3.58 0.57 0.99 1.43 -0.55 -4.98 118.68 119.73 3a1u s LEU 236 Ca 0.00 2.00 -0.20 0.00 -1.03 0.00 0.00 54.13 54.91 3a1u s LEU 236 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 3a1u s LEU 236 CO 0.00 -1.29 1.24 -2.84 0.23 0.00 0.00 176.35 173.69 3a1u s PRO 237 N -3.73 3.05 0.65 1.29 0.02 -1.26 -4.27 135.00 130.75 3a1u s PRO 237 Ca 0.68 1.92 -0.17 0.00 0.02 0.00 0.00 61.00 63.45 3a1u s PRO 237 Cb -0.20 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 3a1u s PRO 237 CO 0.33 -1.17 1.17 -1.21 -0.33 0.00 0.00 177.00 175.79 3a1u s GLU 238 N -3.18 2.72 0.02 5.54 2.02 -1.26 -4.80 118.70 119.76 3a1u s GLU 238 Ca 0.75 1.66 0.08 0.00 0.02 0.00 0.00 54.97 57.48 3a1u s GLU 238 Cb -0.33 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 3a1u s GLU 238 CO 0.37 -1.36 -0.25 -0.51 0.02 0.00 0.00 175.26 173.53 3a1u s LEU 239 N -4.58 2.11 0.79 1.80 1.43 -1.26 -5.13 118.68 113.84 3a1u s LEU 239 Ca 0.73 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 3a1u s LEU 239 Cb -0.26 -1.22 0.07 0.00 0.03 0.00 0.00 46.19 44.80 3a1u s LEU 239 CO 0.38 0.26 1.12 -0.94 0.23 0.00 0.00 176.35 177.40 3a1u s SER 240 N -0.92 4.18 0.30 2.29 1.04 -1.26 -4.82 113.70 114.51 3a1u s SER 240 Ca 0.10 1.98 -0.01 0.00 0.48 0.00 0.00 55.95 58.50 3a1u s SER 240 Cb -0.09 -2.54 0.45 0.00 0.10 0.00 0.00 66.02 63.94 3a1u s SER 240 CO 0.01 -2.26 1.88 -0.08 0.98 0.00 0.00 173.24 173.77 3a1u h GLU 241 N -1.08 0.86 -0.63 4.02 4.81 -2.00 -1.42 114.58 119.14 3a1u h GLU 241 Ca -0.44 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 58.60 3a1u h GLU 241 Cb 1.25 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3a1u h GLU 241 CO 0.49 0.70 0.17 0.93 -0.73 0.00 0.00 179.01 180.58 3a1u h GLU 242 N 0.85 0.99 -0.04 1.92 3.07 -1.99 -0.60 114.58 118.78 3a1u h GLU 242 Ca 0.20 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3a1u h GLU 242 Cb 0.17 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3a1u h GLU 242 CO -0.02 0.88 0.02 0.93 -1.40 0.00 0.00 179.01 179.43 3a1u h GLU 243 N 0.91 0.06 -0.65 2.33 5.08 -1.77 0.17 114.58 120.70 3a1u h GLU 243 Ca 0.20 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3a1u h GLU 243 Cb 0.32 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3a1u h GLU 243 CO -0.00 0.10 0.38 0.00 -1.00 0.00 0.00 179.01 178.49 3a1u h ARG 244 N -0.01 0.90 -0.68 2.33 3.08 -1.12 0.13 114.38 119.01 3a1u h ARG 244 Ca 0.01 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3a1u h ARG 244 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3a1u h ARG 244 CO -0.00 0.65 0.17 0.82 -1.07 0.00 0.00 179.97 180.54 3a1u h ILE 245 N 0.89 1.26 -0.30 2.04 2.04 -0.99 -1.53 117.51 120.92 3a1u h ILE 245 Ca 0.23 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 3a1u h ILE 245 Cb -0.00 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3a1u h ILE 245 CO -0.04 0.36 -0.03 1.23 0.00 0.00 0.00 178.15 179.67 3a1u h GLY 246 N 1.07 0.59 0.96 5.37 0.00 0.04 -1.97 103.07 109.13 3a1u h GLY 246 Ca 0.22 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3a1u h GLY 246 CO 0.00 0.42 -0.04 -0.97 0.00 0.00 0.00 176.54 175.95 3a1u h TYR 247 N 0.32 0.81 -0.99 5.60 0.05 -0.70 -2.33 116.97 119.73 3a1u h TYR 247 Ca 0.08 -0.16 0.03 0.00 0.05 0.00 0.00 58.73 58.74 3a1u h TYR 247 Cb 0.48 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 3a1u h TYR 247 CO 0.04 0.83 0.65 -0.09 -1.05 0.00 0.00 178.16 178.55 3a1u h ARG 248 N 0.55 1.23 -0.09 4.88 2.43 -1.21 -1.50 114.38 120.67 3a1u h ARG 248 Ca 0.11 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.00 3a1u h ARG 248 Cb 0.54 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3a1u h ARG 248 CO 0.03 0.82 -0.77 -0.07 -1.51 0.00 0.00 179.97 178.47 3a1u h LEU 249 N 1.27 0.62 -0.37 3.80 3.38 -1.18 -1.71 115.31 121.12 3a1u h LEU 249 Ca 0.39 -0.42 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3a1u h LEU 249 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3a1u h LEU 249 CO -0.12 1.18 -0.67 0.17 0.09 0.00 0.00 178.44 179.10 3a1u h LEU 250 N 0.35 0.00 -0.28 1.67 8.10 -1.20 0.00 115.31 123.95 3a1u h LEU 250 Ca -0.04 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.89 3a1u h LEU 250 Cb 1.36 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.57 3a1u h LEU 250 CO 0.14 0.67 -0.06 0.40 -4.11 0.00 0.00 178.44 175.48 3a1u h ILE 251 N 0.00 1.28 -0.75 0.15 2.04 -1.28 -2.03 117.51 116.93 3a1u h ILE 251 Ca -0.01 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 3a1u h ILE 251 Cb 1.34 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 3a1u h ILE 251 CO 0.09 0.34 0.31 0.00 0.00 0.00 0.00 178.15 178.89 3a1u h ALA 252 N 0.78 1.13 -0.57 1.87 0.00 -1.20 -1.74 119.26 119.54 3a1u h ALA 252 Ca 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a1u h ALA 252 Cb 0.54 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3a1u h ALA 252 CO 0.03 0.63 0.35 0.87 0.00 0.00 0.00 179.25 181.12 3a1u h LYS 253 N 1.08 0.77 -0.44 0.00 6.56 -0.91 -1.13 116.57 122.50 3a1u h LYS 253 Ca 0.25 -0.07 -0.11 0.00 -1.06 0.00 0.00 60.65 59.66 3a1u h LYS 253 Cb 0.19 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 3a1u h LYS 253 CO -0.02 0.55 -0.17 -0.09 -2.06 0.00 0.00 179.45 177.65 3a1u h ARG 254 N 0.76 0.89 -0.66 3.15 9.65 -1.17 -1.57 114.38 125.43 3a1u h ARG 254 Ca 0.20 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.69 3a1u h ARG 254 Cb -0.03 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 3a1u h ARG 254 CO -0.04 1.02 0.32 0.87 2.80 0.00 0.00 179.97 184.94 3a1u h LYS 255 N 0.72 0.93 -0.24 0.20 1.57 -1.15 -1.21 116.57 117.41 3a1u h LYS 255 Ca 0.10 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3a1u h LYS 255 Cb 0.73 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3a1u h LYS 255 CO 0.06 0.72 0.06 0.00 -0.57 0.00 0.00 179.45 179.71 3a1u h ARG 256 N 0.93 0.38 -0.65 3.15 2.47 -0.97 -0.94 114.38 118.75 3a1u h ARG 256 Ca 0.23 -0.09 0.09 0.00 -1.26 0.00 0.00 59.98 58.95 3a1u h ARG 256 Cb 0.09 -0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.29 3a1u h ARG 256 CO -0.03 0.49 0.28 0.93 0.56 0.00 0.00 179.97 182.20 3a1u h GLU 257 N 0.21 0.48 -0.22 0.04 5.08 -1.02 -0.96 114.58 118.19 3a1u h GLU 257 Ca 0.07 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3a1u h GLU 257 Cb 0.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3a1u h GLU 257 CO 0.00 0.32 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.35 3a1u h TYR 258 N 0.50 0.47 -0.48 4.33 3.20 -0.92 -1.98 116.97 122.09 3a1u h TYR 258 Ca 0.32 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3a1u h TYR 258 Cb 0.37 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3a1u h TYR 258 CO -0.14 0.66 0.26 0.28 -1.64 0.00 0.00 178.16 177.58 3a1u h VAL 259 N 0.15 1.17 -0.28 1.81 2.07 -0.96 -1.54 116.25 118.67 3a1u h VAL 259 Ca 0.05 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3a1u h VAL 259 Cb 0.51 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3a1u h VAL 259 CO 0.02 0.18 0.01 -0.33 0.02 0.00 0.00 177.57 177.47 3a1u h GLU 260 N 0.63 0.42 -0.39 1.57 5.08 -1.12 -1.04 114.58 119.73 3a1u h GLU 260 Ca 0.17 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3a1u h GLU 260 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3a1u h GLU 260 CO -0.03 0.45 -0.23 -0.97 -1.00 0.00 0.00 179.01 177.24 3a1u h ASN 261 N 0.41 0.88 -0.79 1.42 -1.24 -0.87 -1.37 115.58 114.02 3a1u h ASN 261 Ca 0.09 -0.42 -0.01 0.00 0.71 0.00 0.00 56.30 56.67 3a1u h ASN 261 Cb 0.26 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 3a1u h ASN 261 CO 0.01 1.10 0.43 0.58 -1.29 0.00 0.00 177.43 178.26 3a1u h VAL 262 N 0.65 1.23 -0.64 2.57 2.07 -0.85 -0.43 116.25 120.85 3a1u h VAL 262 Ca 0.08 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 3a1u h VAL 262 Cb 0.79 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3a1u h VAL 262 CO 0.06 0.26 0.08 0.58 0.02 0.00 0.00 177.57 178.57 3a1u h VAL 263 N 1.09 1.26 -0.62 2.57 2.07 -1.07 0.20 116.25 121.75 3a1u h VAL 263 Ca 0.28 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3a1u h VAL 263 Cb 0.03 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3a1u h VAL 263 CO -0.04 0.39 0.08 0.50 0.02 0.00 0.00 177.57 178.52 3a1u h LYS 264 N 1.00 1.02 0.05 1.57 3.64 -0.85 -2.02 116.57 120.98 3a1u h LYS 264 Ca 0.19 -0.27 -0.25 0.00 -1.27 0.00 0.00 60.65 59.05 3a1u h LYS 264 Cb 0.47 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3a1u h LYS 264 CO 0.02 0.95 -1.25 0.93 -2.27 0.00 0.00 179.45 177.82 3a1u h GLU 265 N 0.95 0.10 0.00 1.90 4.39 -0.74 -3.39 114.58 117.79 3a1u h GLU 265 Ca 0.19 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3a1u h GLU 265 Cb 0.43 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3a1u h GLU 265 CO 0.01 0.99 -1.22 0.00 -1.16 0.00 0.00 179.01 177.64 3a1u n ALA 266 N -2.47 3.44 -2.43 3.43 0.00 0.66 -4.93 120.51 118.20 3a1u n ALA 266 Ca -0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 3a1u n ALA 266 Cb 0.99 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.72 3a1u n ALA 266 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3a1u s PHE 267 N -2.81 2.09 0.00 0.00 0.08 -0.76 -0.63 117.98 115.94 3a1u s PHE 267 Ca 0.01 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.66 3a1u s PHE 267 Cb 0.12 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 3a1u s PHE 267 CO 0.68 0.20 0.00 0.00 -0.10 0.00 0.00 175.22 176.00