#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr3 n SER 6 N 0.00 0.00 0.00 0.00 3.41 -0.65 -4.97 113.62 111.41 1mr3 n SER 6 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1mr3 n SER 6 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1mr3 n SER 6 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1mr3 n LYS 7 N -1.36 0.00 -3.24 4.33 2.85 -1.26 -5.08 118.16 114.40 1mr3 n LYS 7 Ca 0.00 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 56.81 1mr3 n LYS 7 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 1mr3 n LYS 7 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mr3 s LEU 8 N 0.00 6.12 -0.01 -5.58 2.01 -1.26 -4.48 118.68 115.48 1mr3 s LEU 8 Ca 0.00 -3.15 0.09 0.00 0.01 0.00 0.00 54.13 51.08 1mr3 s LEU 8 Cb 0.00 -2.26 -0.12 0.00 0.01 0.00 0.00 46.19 43.83 1mr3 s LEU 8 CO 0.00 -0.50 0.29 0.49 1.01 0.00 0.00 176.35 177.64 1mr3 n PHE 9 N 3.83 0.00 -0.23 0.29 3.01 -1.26 -4.31 117.46 118.79 1mr3 n PHE 9 Ca 0.24 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.61 1mr3 n PHE 9 Cb 0.43 -0.09 0.04 0.00 -0.01 0.00 0.00 39.48 39.84 1mr3 n PHE 9 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1mr3 h SER 10 N 0.00 1.05 -0.22 4.37 0.87 -1.91 0.56 113.55 118.26 1mr3 h SER 10 Ca 0.00 -0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.14 1mr3 h SER 10 Cb 0.30 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1mr3 h SER 10 CO 0.00 1.05 -0.49 -1.13 -0.53 0.00 0.00 176.83 175.73 1mr3 h ASN 11 N 1.01 0.81 0.35 6.23 -0.73 -1.90 0.50 115.58 121.84 1mr3 h ASN 11 Ca 0.20 -0.56 -0.02 0.00 1.87 0.00 0.00 56.30 57.79 1mr3 h ASN 11 Cb 0.45 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1mr3 h ASN 11 CO 0.01 1.22 -0.17 0.25 -0.37 0.00 0.00 177.43 178.38 1mr3 h LEU 12 N 0.44 -0.39 -1.30 0.34 5.85 -1.69 -3.27 115.31 115.28 1mr3 h LEU 12 Ca 0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1mr3 h LEU 12 Cb 1.10 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1mr3 h LEU 12 CO 0.11 -0.22 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.38 1mr3 h PHE 13 N -0.58 0.00 0.00 1.25 0.05 -0.01 -3.47 116.94 114.18 1mr3 h PHE 13 Ca -0.05 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.74 1mr3 h PHE 13 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.31 1mr3 h PHE 13 CO 0.09 0.34 0.00 0.41 -0.18 0.00 0.00 178.31 178.97 1mr3 n GLY 14 N -0.40 3.80 0.12 -1.45 0.00 0.18 -2.18 105.19 105.25 1mr3 n GLY 14 Ca -0.02 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1mr3 n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mr3 n ASN 15 N 8.30 1.14 -4.85 1.61 5.15 -1.26 -4.85 115.26 120.51 1mr3 n ASN 15 Ca 0.00 -2.00 -0.32 0.00 -0.60 0.00 0.00 54.58 51.66 1mr3 n ASN 15 Cb 0.00 -0.15 -0.01 0.00 -0.53 0.00 0.00 39.78 39.10 1mr3 n ASN 15 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1mr3 s LYS 16 N -0.98 3.67 -0.53 1.20 2.36 -0.93 -4.77 119.74 119.76 1mr3 s LYS 16 Ca 0.08 0.90 -0.15 0.00 -2.55 0.00 0.00 55.97 54.24 1mr3 s LYS 16 Cb 0.07 -2.09 0.13 0.00 -1.05 0.00 0.00 37.83 34.88 1mr3 s LYS 16 CO 0.01 -0.50 0.48 -2.00 1.55 0.00 0.00 175.35 174.89 1mr3 s GLU 17 N -4.58 2.94 -0.27 4.03 2.12 -1.25 -4.26 118.70 117.43 1mr3 s GLU 17 Ca 0.58 -1.71 -0.10 0.00 0.36 0.00 0.00 54.97 54.10 1mr3 s GLU 17 Cb -0.11 -4.26 -0.04 0.00 0.26 0.00 0.00 34.13 29.97 1mr3 s GLU 17 CO 0.43 -1.31 0.15 -1.64 -0.54 0.00 0.00 175.26 172.34 1mr3 s MET 18 N 1.58 3.85 -0.43 4.30 -1.94 -0.66 -4.91 119.30 121.09 1mr3 s MET 18 Ca 0.03 -0.37 -0.10 0.00 -1.71 0.00 0.00 55.69 53.54 1mr3 s MET 18 Cb -0.30 -3.54 0.08 0.00 2.01 0.00 0.00 34.83 33.09 1mr3 s MET 18 CO 0.03 -0.17 0.29 1.03 -0.01 0.00 0.00 175.02 176.19 1mr3 s ARG 19 N 1.67 2.63 -0.12 2.03 0.52 -1.26 -0.93 118.95 123.48 1mr3 s ARG 19 Ca 0.07 -1.49 -0.03 0.00 -0.52 0.00 0.00 55.73 53.75 1mr3 s ARG 19 Cb -0.16 -3.85 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 1mr3 s ARG 19 CO 0.08 -1.00 0.00 0.42 0.02 0.00 0.00 175.30 174.83 1mr3 s ILE 20 N 1.44 4.29 -0.23 1.52 1.01 0.37 -0.49 121.20 129.11 1mr3 s ILE 20 Ca 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 1mr3 s ILE 20 Cb -0.24 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1mr3 s ILE 20 CO 0.02 0.55 -0.02 -0.22 0.00 0.00 0.00 174.94 175.27 1mr3 s LEU 21 N -0.28 3.08 -0.27 2.97 2.96 -0.17 -1.02 118.68 125.94 1mr3 s LEU 21 Ca 0.06 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1mr3 s LEU 21 Cb -0.12 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1mr3 s LEU 21 CO 0.02 -0.04 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.65 1mr3 s MET 22 N 1.49 2.66 0.44 1.98 -2.45 0.19 -0.28 119.30 123.33 1mr3 s MET 22 Ca 0.05 -1.10 0.04 0.00 -1.25 0.00 0.00 55.69 53.43 1mr3 s MET 22 Cb -0.15 -3.08 -0.02 0.00 1.25 0.00 0.00 34.83 32.84 1mr3 s MET 22 CO -0.02 -0.50 0.14 0.14 1.05 0.00 0.00 175.02 175.83 1mr3 s VAL 23 N 1.30 0.53 0.00 10.11 -7.23 -0.32 -3.11 120.40 121.67 1mr3 s VAL 23 Ca -0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1mr3 s VAL 23 Cb -0.18 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1mr3 s VAL 23 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1mr3 n GLY 24 N -0.99 1.88 3.73 2.32 0.00 -1.26 -0.72 105.19 110.15 1mr3 n GLY 24 Ca -0.07 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1mr3 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mr3 s LEU 25 N 0.00 3.07 0.46 0.99 1.43 -1.26 -1.54 118.68 121.84 1mr3 s LEU 25 Ca 0.00 2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 1mr3 s LEU 25 Cb 0.00 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.59 1mr3 s LEU 25 CO 0.00 -2.37 1.38 1.51 0.23 0.00 0.00 176.35 177.10 1mr3 s ASP 26 N -2.79 5.86 0.00 2.29 -4.77 -1.25 -2.27 116.67 113.74 1mr3 s ASP 26 Ca 0.66 2.81 0.00 0.00 -3.30 0.00 0.00 52.55 52.72 1mr3 s ASP 26 Cb -0.22 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 38.97 1mr3 s ASP 26 CO 0.53 -1.17 0.00 0.61 0.70 0.00 0.00 175.17 175.83 1mr3 n GLY 27 N 0.62 1.26 0.20 2.12 0.00 -1.26 -4.92 105.19 103.21 1mr3 n GLY 27 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1mr3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr3 h ALA 28 N 0.00 1.35 0.00 4.61 0.00 -1.78 -3.45 119.26 119.99 1mr3 h ALA 28 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mr3 h ALA 28 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mr3 h ALA 28 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1mr3 n GLY 29 N -0.50 1.71 0.24 0.00 0.00 -1.26 -4.31 105.19 101.07 1mr3 n GLY 29 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1mr3 n GLY 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1mr3 h LYS 30 N 0.00 0.83 -0.62 1.61 2.10 -1.91 -1.66 116.57 116.92 1mr3 h LYS 30 Ca 0.00 -0.32 -0.07 0.00 -2.00 0.00 0.00 60.65 58.26 1mr3 h LYS 30 Cb 0.00 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.26 1mr3 h LYS 30 CO 0.00 0.95 0.12 1.15 -2.00 0.00 0.00 179.45 179.67 1mr3 h THR 31 N 0.65 1.25 -0.70 0.07 2.02 -1.98 -1.38 112.91 112.84 1mr3 h THR 31 Ca 0.11 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1mr3 h THR 31 Cb 0.66 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1mr3 h THR 31 CO 0.04 0.36 0.42 0.74 0.37 0.00 0.00 175.52 177.45 1mr3 h THR 32 N 0.94 1.20 -0.22 3.16 2.02 -1.91 -2.28 112.91 115.83 1mr3 h THR 32 Ca 0.19 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1mr3 h THR 32 Cb 0.38 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1mr3 h THR 32 CO 0.01 0.21 0.13 0.58 0.37 0.00 0.00 175.52 176.82 1mr3 h VAL 33 N 0.96 1.04 -0.40 3.16 2.07 -0.70 -1.17 116.25 121.21 1mr3 h VAL 33 Ca 0.25 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1mr3 h VAL 33 Cb -0.03 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1mr3 h VAL 33 CO -0.05 0.05 0.10 -0.07 0.02 0.00 0.00 177.57 177.62 1mr3 h LEU 34 N 0.28 0.05 -0.81 2.57 3.38 -0.84 -1.63 115.31 118.30 1mr3 h LEU 34 Ca 0.08 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1mr3 h LEU 34 Cb -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1mr3 h LEU 34 CO -0.03 0.06 -0.24 1.88 0.09 0.00 0.00 178.44 180.20 1mr3 h TYR 35 N 0.23 0.70 0.00 1.13 -1.99 -1.29 -3.05 116.97 112.70 1mr3 h TYR 35 Ca 0.19 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 1mr3 h TYR 35 Cb 0.22 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1mr3 h TYR 35 CO -0.19 0.81 -0.29 -0.22 -0.00 0.00 0.00 178.16 178.27 1mr3 h LYS 36 N 0.54 0.00 0.00 4.88 1.63 -0.59 -2.72 116.57 120.32 1mr3 h LYS 36 Ca 0.08 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1mr3 h LYS 36 Cb 0.71 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1mr3 h LYS 36 CO 0.05 0.29 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.13 1mr3 h LEU 37 N 0.00 0.00 -1.51 5.20 3.38 -1.20 -3.46 115.31 117.72 1mr3 h LEU 37 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1mr3 h LEU 37 Cb 0.54 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1mr3 h LEU 37 CO 0.04 0.15 -0.86 0.29 0.09 0.00 0.00 178.44 178.15 1mr3 n LYS 38 N -3.99 -3.36 0.00 1.13 5.02 -1.03 -4.36 118.16 111.57 1mr3 n LYS 38 Ca -0.02 0.40 0.10 0.00 -2.02 0.00 0.00 58.31 56.76 1mr3 n LYS 38 Cb 0.23 -4.81 -0.10 0.00 -0.02 0.00 0.00 35.03 30.33 1mr3 n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1mr3 n LEU 39 N -4.42 1.11 0.00 -0.35 4.77 -1.26 -1.64 117.00 115.20 1mr3 n LEU 39 Ca -0.13 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1mr3 n LEU 39 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1mr3 n LEU 39 CO 0.80 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1mr3 n GLY 40 N 1.46 1.06 3.76 -0.72 0.00 -1.26 -4.57 105.19 104.92 1mr3 n GLY 40 Ca 0.05 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1mr3 n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mr3 s GLU 41 N -2.00 4.19 -0.37 1.61 2.12 -1.26 -4.95 118.70 118.05 1mr3 s GLU 41 Ca 0.00 2.45 -0.24 0.00 0.36 0.00 0.00 54.97 57.54 1mr3 s GLU 41 Cb 0.00 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.36 1mr3 s GLU 41 CO 0.00 -0.49 0.85 0.08 -0.54 0.00 0.00 175.26 175.16 1mr3 s VAL 42 N -0.47 4.67 -0.15 3.70 1.01 -1.26 -4.56 120.40 123.34 1mr3 s VAL 42 Ca 0.57 1.01 -0.13 0.00 0.00 0.00 0.00 61.98 63.44 1mr3 s VAL 42 Cb -0.45 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 1mr3 s VAL 42 CO 0.52 -0.48 0.27 -0.63 0.00 0.00 0.00 175.10 174.78 1mr3 s ILE 43 N 3.26 5.31 -0.24 2.22 -1.09 -0.01 -4.91 121.20 125.75 1mr3 s ILE 43 Ca 0.34 0.50 -0.09 0.00 -2.23 0.00 0.00 60.65 59.17 1mr3 s ILE 43 Cb -0.13 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1mr3 s ILE 43 CO 0.18 0.43 0.13 -0.89 -1.23 0.00 0.00 174.94 173.55 1mr3 s THR 44 N 0.22 4.99 0.00 2.92 2.01 -1.26 -0.59 115.64 123.92 1mr3 s THR 44 Ca 0.16 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.27 1mr3 s THR 44 Cb -0.13 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1mr3 s THR 44 CO 0.04 0.35 -0.20 0.28 -0.69 0.00 0.00 174.62 174.40 1mr3 s THR 45 N 1.20 1.55 -0.60 -0.82 -1.32 0.35 -4.99 115.64 111.01 1mr3 s THR 45 Ca 0.06 -0.92 0.04 0.00 -1.21 0.00 0.00 61.69 59.67 1mr3 s THR 45 Cb -0.14 -1.30 0.16 0.00 -1.51 0.00 0.00 72.50 69.70 1mr3 s THR 45 CO 0.05 0.37 0.41 -0.63 -2.21 0.00 0.00 174.62 172.61 1mr3 s ILE 46 N -0.55 2.20 0.24 5.08 1.01 -1.26 -0.82 121.20 127.10 1mr3 s ILE 46 Ca 0.07 -3.68 -0.05 0.00 0.00 0.00 0.00 60.65 57.00 1mr3 s ILE 46 Cb -0.08 -2.47 0.20 0.00 0.01 0.00 0.00 42.46 40.13 1mr3 s ILE 46 CO -0.00 -1.02 1.75 -0.65 0.00 0.00 0.00 174.94 175.02 1mr3 h PRO 47 N 5.70 0.50 -4.77 2.79 0.11 -1.97 -3.41 132.00 130.95 1mr3 h PRO 47 Ca 0.13 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.83 1mr3 h PRO 47 Cb 0.82 -0.11 -0.26 0.00 0.11 0.00 0.00 31.00 31.55 1mr3 h PRO 47 CO 0.62 0.33 -0.77 -0.08 -0.21 0.00 0.00 178.00 177.89 1mr3 s THR 48 N -6.03 0.73 0.12 -1.15 -1.32 -1.26 -5.09 115.64 101.64 1mr3 s THR 48 Ca -0.12 -0.62 -0.34 0.00 -1.21 0.00 0.00 61.69 59.40 1mr3 s THR 48 Cb 0.20 -0.66 -0.13 0.00 -1.51 0.00 0.00 72.50 70.40 1mr3 s THR 48 CO 0.76 0.04 1.64 0.00 -2.21 0.00 0.00 174.62 174.86 1mr3 n ILE 49 N 2.41 0.12 -0.13 5.08 3.06 -1.26 -1.56 119.36 127.08 1mr3 n ILE 49 Ca -0.16 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 1mr3 n ILE 49 Cb 0.56 -1.63 0.00 0.00 0.54 0.00 0.00 39.64 39.11 1mr3 n ILE 49 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1mr3 n GLY 50 N 3.63 0.98 3.07 4.50 0.00 -1.26 -5.00 105.19 111.12 1mr3 n GLY 50 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1mr3 n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mr3 s PHE 51 N -2.50 3.47 -0.21 1.61 5.36 -0.60 -5.07 117.98 120.03 1mr3 s PHE 51 Ca 0.00 -2.72 -0.19 0.00 -0.96 0.00 0.00 56.93 53.06 1mr3 s PHE 51 Cb 0.00 -3.12 -0.03 0.00 -0.34 0.00 0.00 43.02 39.53 1mr3 s PHE 51 CO 0.00 -0.88 0.53 -0.80 -1.46 0.00 0.00 175.22 172.61 1mr3 s ASN 52 N 0.92 6.56 -0.09 6.13 0.02 -1.26 -3.92 114.94 123.29 1mr3 s ASN 52 Ca 0.14 0.67 0.04 0.00 -1.02 0.00 0.00 52.86 52.69 1mr3 s ASN 52 Cb -0.22 -2.30 -0.01 0.00 0.02 0.00 0.00 41.25 38.75 1mr3 s ASN 52 CO -0.04 -0.20 -0.23 -0.69 0.02 0.00 0.00 177.10 175.97 1mr3 s VAL 53 N 1.75 2.23 -0.09 1.60 1.01 -0.00 -4.59 120.40 122.31 1mr3 s VAL 53 Ca 0.24 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1mr3 s VAL 53 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1mr3 s VAL 53 CO 0.10 0.56 -0.05 -1.61 0.00 0.00 0.00 175.10 174.09 1mr3 s GLU 54 N 0.11 3.01 0.06 2.72 2.02 -0.14 -0.49 118.70 125.98 1mr3 s GLU 54 Ca -0.11 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.39 1mr3 s GLU 54 Cb -0.16 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 1mr3 s GLU 54 CO 0.06 0.56 -0.09 0.95 0.02 0.00 0.00 175.26 176.76 1mr3 s THR 55 N -0.53 0.75 -0.02 3.63 -4.23 0.25 -0.04 115.64 115.44 1mr3 s THR 55 Ca 0.08 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1mr3 s THR 55 Cb -0.12 -0.96 0.03 0.00 1.34 0.00 0.00 72.50 72.79 1mr3 s THR 55 CO 0.02 -0.44 0.01 -0.69 -0.54 0.00 0.00 174.62 172.99 1mr3 s VAL 56 N -1.80 0.07 -0.18 2.29 1.01 -0.75 -0.83 120.40 120.21 1mr3 s VAL 56 Ca -0.03 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1mr3 s VAL 56 Cb -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1mr3 s VAL 56 CO 0.00 0.11 -0.17 -1.58 0.00 0.00 0.00 175.10 173.46 1mr3 s GLN 57 N 0.97 2.71 -0.26 2.72 2.00 -1.26 -0.93 119.66 125.61 1mr3 s GLN 57 Ca -0.09 -0.83 0.01 0.00 -2.00 0.00 0.00 55.36 52.45 1mr3 s GLN 57 Cb -0.13 -2.50 0.07 0.00 0.80 0.00 0.00 33.01 31.26 1mr3 s GLN 57 CO -0.02 -0.27 -0.00 -0.47 -0.50 0.00 0.00 175.29 174.03 1mr3 s TYR 58 N 1.32 2.36 0.00 1.67 5.04 0.12 -4.78 117.35 123.08 1mr3 s TYR 58 Ca 0.03 -1.87 0.00 0.00 -2.44 0.00 0.00 57.07 52.79 1mr3 s TYR 58 Cb -0.14 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.41 1mr3 s TYR 58 CO -0.11 -0.81 0.00 1.63 -1.34 0.00 0.00 175.55 174.92 1mr3 n LYS 59 N 4.67 0.00 -0.61 4.97 5.02 -1.26 0.09 118.16 131.04 1mr3 n LYS 59 Ca -0.07 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.31 1mr3 n LYS 59 Cb 0.44 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.80 1mr3 n LYS 59 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1mr3 n ASN 60 N 7.97 4.74 -4.61 4.39 3.02 -1.26 -4.90 115.26 124.61 1mr3 n ASN 60 Ca 0.00 -2.46 -0.34 0.00 -0.03 0.00 0.00 54.58 51.74 1mr3 n ASN 60 Cb 0.00 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.49 1mr3 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mr3 s ILE 61 N -1.87 4.57 -0.04 2.41 -1.09 0.11 -1.65 121.20 123.64 1mr3 s ILE 61 Ca 0.51 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.85 1mr3 s ILE 61 Cb 0.33 -3.04 -0.00 0.00 -1.58 0.00 0.00 42.46 38.17 1mr3 s ILE 61 CO 0.24 0.48 -0.16 -0.55 -1.23 0.00 0.00 174.94 173.72 1mr3 s SER 62 N 0.24 2.07 -0.12 3.58 0.15 -0.11 -0.70 113.70 118.81 1mr3 s SER 62 Ca 0.02 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.36 1mr3 s SER 62 Cb -0.13 -0.61 -0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1mr3 s SER 62 CO 0.01 0.14 -0.22 -0.36 1.20 0.00 0.00 173.24 174.01 1mr3 s PHE 63 N 0.11 2.63 -0.12 3.44 0.40 -0.10 -0.48 117.98 123.85 1mr3 s PHE 63 Ca -0.05 -1.05 0.02 0.00 -0.60 0.00 0.00 56.93 55.25 1mr3 s PHE 63 Cb -0.12 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.67 1mr3 s PHE 63 CO 0.02 -0.43 -0.17 0.99 0.70 0.00 0.00 175.22 176.33 1mr3 s THR 64 N 0.46 1.66 -0.02 0.64 2.01 -0.19 -1.81 115.64 118.41 1mr3 s THR 64 Ca -0.15 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1mr3 s THR 64 Cb -0.17 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 1mr3 s THR 64 CO 0.06 0.47 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 1mr3 s VAL 65 N 0.90 0.88 0.14 3.82 1.01 0.94 -0.63 120.40 127.46 1mr3 s VAL 65 Ca -0.07 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1mr3 s VAL 65 Cb -0.15 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1mr3 s VAL 65 CO -0.01 0.26 0.48 -1.66 0.00 0.00 0.00 175.10 174.17 1mr3 s TRP 66 N -0.02 -0.33 0.05 5.22 -2.14 -1.18 -0.97 118.94 119.57 1mr3 s TRP 66 Ca 0.00 0.06 -0.21 0.00 2.66 0.00 0.00 56.10 58.60 1mr3 s TRP 66 Cb -0.07 0.37 -0.06 0.00 -3.10 0.00 0.00 33.47 30.61 1mr3 s TRP 66 CO 0.00 -0.76 0.64 -0.51 -2.66 0.00 0.00 176.95 173.66 1mr3 s ASP 67 N -2.78 7.10 0.36 -2.66 1.01 -1.26 -3.98 116.67 114.45 1mr3 s ASP 67 Ca 0.02 1.30 0.09 0.00 0.71 0.00 0.00 52.55 54.67 1mr3 s ASP 67 Cb 0.01 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1mr3 s ASP 67 CO -0.12 0.16 -0.01 0.68 0.21 0.00 0.00 175.17 176.09 1mr3 s VAL 68 N -0.60 2.36 0.16 -1.27 -7.23 -0.59 -4.96 120.40 108.29 1mr3 s VAL 68 Ca 0.32 -2.03 -0.22 0.00 -1.81 0.00 0.00 61.98 58.25 1mr3 s VAL 68 Cb -0.20 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.01 1mr3 s VAL 68 CO 0.20 -0.15 0.57 -0.83 -0.31 0.00 0.00 175.10 174.58 1mr3 s GLY 69 N -3.70 -0.54 0.38 2.32 0.00 -1.26 -3.81 107.32 100.71 1mr3 s GLY 69 Ca 0.35 0.36 0.13 0.00 0.00 0.00 0.00 44.72 45.56 1mr3 s GLY 69 CO 0.18 0.07 1.84 -1.33 0.00 0.00 0.00 173.10 173.87 1mr3 h GLY 70 N 2.06 1.15 -2.66 0.20 0.00 -1.99 -1.32 103.07 100.50 1mr3 h GLY 70 Ca -0.33 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1mr3 h GLY 70 CO 0.39 0.01 0.00 -1.06 0.00 0.00 0.00 176.54 175.88 1mr3 n GLN 71 N -4.57 3.50 -1.69 4.80 1.13 -1.26 -4.96 117.38 114.32 1mr3 n GLN 71 Ca 0.20 -2.19 -0.41 0.00 -1.94 0.00 0.00 57.00 52.66 1mr3 n GLN 71 Cb 0.61 -1.93 0.02 0.00 0.11 0.00 0.00 30.24 29.05 1mr3 n GLN 71 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1mr3 n ASP 72 N 0.57 2.28 -4.00 1.08 8.00 -0.50 -4.97 116.55 119.01 1mr3 n ASP 72 Ca 0.19 1.07 -0.31 0.00 0.71 0.00 0.00 54.79 56.46 1mr3 n ASP 72 Cb 0.84 -1.48 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 1mr3 n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1mr3 s ARG 73 N -2.25 1.84 0.40 -1.24 1.81 -1.26 -5.06 118.95 113.18 1mr3 s ARG 73 Ca 0.63 -2.30 -0.26 0.00 -1.72 0.00 0.00 55.73 52.08 1mr3 s ARG 73 Cb -0.50 -3.32 -0.11 0.00 -0.45 0.00 0.00 34.95 30.57 1mr3 s ARG 73 CO 0.57 -1.05 1.18 1.51 -0.68 0.00 0.00 175.30 176.83 1mr3 n ILE 74 N 3.63 2.38 -4.40 1.52 3.06 -1.26 -5.01 119.36 119.28 1mr3 n ILE 74 Ca 0.04 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.55 1mr3 n ILE 74 Cb 0.37 -1.41 -0.10 0.00 0.54 0.00 0.00 39.64 39.04 1mr3 n ILE 74 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1mr3 s ARG 75 N -2.04 1.83 0.29 9.51 1.81 -1.26 -5.02 118.95 124.07 1mr3 s ARG 75 Ca 0.60 -1.60 0.04 0.00 -1.72 0.00 0.00 55.73 53.06 1mr3 s ARG 75 Cb -0.55 -1.91 0.72 0.00 -0.45 0.00 0.00 34.95 32.76 1mr3 s ARG 75 CO 0.59 0.36 1.72 0.77 -0.68 0.00 0.00 175.30 178.06 1mr3 h SER 76 N 2.40 0.48 -0.96 0.23 0.02 -2.00 0.37 113.55 114.08 1mr3 h SER 76 Ca -0.43 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 60.72 1mr3 h SER 76 Cb 1.24 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.79 1mr3 h SER 76 CO 0.58 0.09 0.62 0.25 -1.14 0.00 0.00 176.83 177.23 1mr3 h LEU 77 N 0.51 0.99 -0.63 5.07 5.85 -2.00 -1.42 115.31 123.69 1mr3 h LEU 77 Ca 0.56 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.34 1mr3 h LEU 77 Cb 0.99 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1mr3 h LEU 77 CO -0.47 0.64 0.34 -0.50 -0.34 0.00 0.00 178.44 178.11 1mr3 h TRP 78 N 1.12 0.63 0.00 1.25 4.06 -1.32 -0.89 115.95 120.80 1mr3 h TRP 78 Ca 0.41 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.36 1mr3 h TRP 78 Cb 0.17 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1mr3 h TRP 78 CO -0.00 0.30 -0.10 0.00 -3.56 0.00 0.00 178.44 175.08 1mr3 h ARG 79 N 0.64 0.00 -0.34 0.49 3.08 -1.20 -0.79 114.38 116.26 1mr3 h ARG 79 Ca 0.28 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.21 1mr3 h ARG 79 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1mr3 h ARG 79 CO -0.18 0.10 -0.26 1.25 -1.07 0.00 0.00 179.97 179.81 1mr3 h HIS 80 N 0.00 0.91 -0.52 3.04 2.76 -0.44 -1.26 115.15 119.64 1mr3 h HIS 80 Ca -0.00 -0.25 -0.09 0.00 -2.20 0.00 0.00 60.37 57.82 1mr3 h HIS 80 Cb 0.57 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 1mr3 h HIS 80 CO 0.00 1.01 -0.03 1.88 -1.30 0.00 0.00 177.93 179.49 1mr3 h TYR 81 N 0.55 1.03 -0.07 5.26 0.05 -0.86 -3.11 116.97 119.81 1mr3 h TYR 81 Ca 0.06 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.68 1mr3 h TYR 81 Cb 0.82 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 1mr3 h TYR 81 CO 0.07 0.96 -0.13 1.88 -1.05 0.00 0.00 178.16 179.88 1mr3 h TYR 82 N 0.80 -0.32 -0.40 4.88 0.99 -0.92 -2.18 116.97 119.81 1mr3 h TYR 82 Ca 0.14 0.02 0.11 0.00 2.00 0.00 0.00 58.73 61.00 1mr3 h TYR 82 Cb 0.57 0.15 -0.02 0.00 1.00 0.00 0.00 36.73 38.44 1mr3 h TYR 82 CO 0.04 -0.19 0.30 0.00 -0.00 0.00 0.00 178.16 178.31 1mr3 h ARG 83 N -0.18 0.00 -0.56 4.88 3.08 -1.18 -0.17 114.38 120.25 1mr3 h ARG 83 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1mr3 h ARG 83 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1mr3 h ARG 83 CO -0.18 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.01 1mr3 n ASN 84 N -4.31 3.04 -4.78 7.04 5.15 -0.85 -4.93 115.26 115.63 1mr3 n ASN 84 Ca 0.07 -2.06 -0.36 0.00 -0.60 0.00 0.00 54.58 51.62 1mr3 n ASN 84 Cb 0.49 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.28 1mr3 n ASN 84 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1mr3 s THR 85 N -1.37 5.39 -0.11 -0.44 2.01 -0.08 -4.80 115.64 116.25 1mr3 s THR 85 Ca 0.37 0.31 0.16 0.00 0.31 0.00 0.00 61.69 62.84 1mr3 s THR 85 Cb 0.20 -3.50 -0.23 0.00 0.01 0.00 0.00 72.50 68.98 1mr3 s THR 85 CO 0.23 0.49 0.18 -0.62 -0.69 0.00 0.00 174.62 174.21 1mr3 n GLU 86 N 2.97 1.04 -3.82 4.92 1.02 0.35 -4.64 120.64 122.49 1mr3 n GLU 86 Ca -0.16 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 56.79 1mr3 n GLU 86 Cb 0.53 -1.42 -0.12 0.00 -0.02 0.00 0.00 31.44 30.42 1mr3 n GLU 86 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mr3 s GLY 87 N -4.62 -0.11 -0.09 0.62 0.00 -1.04 -2.98 107.32 99.09 1mr3 s GLY 87 Ca -0.07 0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.09 1mr3 s GLY 87 CO 0.69 0.32 -0.17 0.14 0.00 0.00 0.00 173.10 174.08 1mr3 s VAL 88 N -0.23 2.76 -0.20 1.40 1.01 -0.50 -1.00 120.40 123.63 1mr3 s VAL 88 Ca -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1mr3 s VAL 88 Cb -0.03 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1mr3 s VAL 88 CO 0.01 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 1mr3 s ILE 89 N 0.00 2.82 -0.28 2.22 1.01 0.61 -0.75 121.20 126.84 1mr3 s ILE 89 Ca -0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1mr3 s ILE 89 Cb -0.15 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1mr3 s ILE 89 CO 0.05 0.47 0.06 0.12 0.00 0.00 0.00 174.94 175.63 1mr3 s PHE 90 N 1.39 3.12 -0.07 3.97 5.36 0.34 -1.18 117.98 130.90 1mr3 s PHE 90 Ca 0.05 -0.96 -0.17 0.00 -0.96 0.00 0.00 56.93 54.90 1mr3 s PHE 90 Cb -0.14 -2.22 -0.05 0.00 -0.34 0.00 0.00 43.02 40.27 1mr3 s PHE 90 CO -0.07 -0.56 0.45 0.08 -1.46 0.00 0.00 175.22 173.66 1mr3 s VAL 91 N 1.50 5.12 -0.06 3.12 1.01 0.10 -1.10 120.40 130.09 1mr3 s VAL 91 Ca 0.03 0.90 0.06 0.00 0.00 0.00 0.00 61.98 62.98 1mr3 s VAL 91 Cb -0.17 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1mr3 s VAL 91 CO 0.01 0.43 -0.25 -0.63 0.00 0.00 0.00 175.10 174.66 1mr3 s ILE 92 N -0.04 2.01 -0.64 2.22 -1.09 -0.03 -4.24 121.20 119.40 1mr3 s ILE 92 Ca 0.25 -1.04 -0.26 0.00 -2.23 0.00 0.00 60.65 57.36 1mr3 s ILE 92 Cb -0.16 -1.70 0.04 0.00 -1.58 0.00 0.00 42.46 39.06 1mr3 s ILE 92 CO 0.11 0.56 1.12 -0.62 -1.23 0.00 0.00 174.94 174.88 1mr3 s ASP 93 N -0.15 6.29 0.60 3.58 -1.08 -1.26 -0.89 116.67 123.76 1mr3 s ASP 93 Ca -0.04 -0.35 0.40 0.00 -0.52 0.00 0.00 52.55 52.04 1mr3 s ASP 93 Cb -0.14 -2.51 2.07 0.00 -1.46 0.00 0.00 42.92 40.88 1mr3 s ASP 93 CO 0.04 -1.52 2.21 0.28 0.52 0.00 0.00 175.17 176.69 1mr3 h SER 94 N 9.64 0.00 -0.61 -0.34 0.02 -1.36 -2.31 113.55 118.59 1mr3 h SER 94 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1mr3 h SER 94 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1mr3 h SER 94 CO 1.19 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 173.68 1mr3 n ASN 95 N -2.98 3.44 -4.05 3.07 5.15 -1.26 -0.54 115.26 118.10 1mr3 n ASN 95 Ca -0.02 -1.99 -0.34 0.00 -0.60 0.00 0.00 54.58 51.63 1mr3 n ASN 95 Cb 0.12 -0.41 -0.09 0.00 -0.53 0.00 0.00 39.78 38.87 1mr3 n ASN 95 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1mr3 s ASP 96 N -1.07 5.51 0.41 1.20 -1.08 -0.87 -4.88 116.67 115.89 1mr3 s ASP 96 Ca 0.43 -3.58 0.17 0.00 -0.52 0.00 0.00 52.55 49.05 1mr3 s ASP 96 Cb 0.23 -1.82 0.90 0.00 -1.46 0.00 0.00 42.92 40.77 1mr3 s ASP 96 CO 0.30 -0.19 1.88 0.03 0.52 0.00 0.00 175.17 177.70 1mr3 h ARG 97 N 6.05 0.00 0.00 4.34 3.08 -1.85 -2.76 114.38 123.25 1mr3 h ARG 97 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1mr3 h ARG 97 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1mr3 h ARG 97 CO 0.79 0.30 -0.04 0.66 -1.07 0.00 0.00 179.97 180.61 1mr3 h SER 98 N 0.00 0.00 -0.09 7.04 4.64 -1.98 -3.01 113.55 120.14 1mr3 h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mr3 h SER 98 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1mr3 h SER 98 CO 0.04 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.58 1mr3 n ARG 99 N -3.26 2.04 0.18 4.77 1.74 -1.06 -4.65 116.66 116.43 1mr3 n ARG 99 Ca -0.01 -1.44 0.03 0.00 -0.77 0.00 0.00 57.85 55.66 1mr3 n ARG 99 Cb 0.22 -1.09 0.38 0.00 -1.02 0.00 0.00 32.46 30.96 1mr3 n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1mr3 h ILE 100 N 0.75 1.23 -0.44 0.55 6.09 -1.37 -1.10 117.51 123.22 1mr3 h ILE 100 Ca 0.00 -1.10 -0.10 0.00 -1.37 0.00 0.00 64.86 62.29 1mr3 h ILE 100 Cb 0.47 1.57 -0.02 0.00 0.47 0.00 0.00 36.82 39.31 1mr3 h ILE 100 CO 0.00 0.32 -0.12 1.23 -3.07 0.00 0.00 178.15 176.51 1mr3 h GLY 101 N 0.96 0.86 0.98 8.18 0.00 -1.83 -0.74 103.07 111.48 1mr3 h GLY 101 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.58 1mr3 h GLY 101 CO 0.04 0.60 -0.11 -2.09 0.00 0.00 0.00 176.54 174.98 1mr3 h GLU 102 N 0.72 0.77 -0.74 4.80 4.81 -1.68 -1.59 114.58 121.67 1mr3 h GLU 102 Ca 0.12 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1mr3 h GLU 102 Cb 0.61 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1mr3 h GLU 102 CO 0.04 0.92 0.44 0.00 -0.73 0.00 0.00 179.01 179.68 1mr3 h ALA 103 N 0.83 0.95 -0.12 2.92 0.00 -0.93 -0.83 119.26 122.07 1mr3 h ALA 103 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1mr3 h ALA 103 Cb 0.64 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1mr3 h ALA 103 CO 0.04 0.43 0.04 -0.09 0.00 0.00 0.00 179.25 179.67 1mr3 h ARG 104 N 1.02 0.10 -0.40 0.00 2.43 -0.93 0.15 114.38 116.74 1mr3 h ARG 104 Ca 0.27 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1mr3 h ARG 104 Cb -0.02 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1mr3 h ARG 104 CO -0.05 0.06 0.21 1.49 -1.51 0.00 0.00 179.97 180.17 1mr3 h GLU 105 N 0.10 0.41 -0.14 0.20 4.81 -0.91 0.11 114.58 119.16 1mr3 h GLU 105 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1mr3 h GLU 105 Cb 0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1mr3 h GLU 105 CO -0.06 0.27 0.03 0.28 -0.73 0.00 0.00 179.01 178.81 1mr3 h VAL 106 N 0.42 1.20 -0.49 0.32 2.07 -0.90 -2.22 116.25 116.65 1mr3 h VAL 106 Ca 0.17 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1mr3 h VAL 106 Cb 0.06 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1mr3 h VAL 106 CO -0.11 0.18 0.11 -0.03 0.02 0.00 0.00 177.57 177.74 1mr3 h MET 107 N 0.02 0.74 -0.46 1.57 1.85 -0.47 -2.08 114.93 116.10 1mr3 h MET 107 Ca 0.04 -0.15 -0.08 0.00 -0.61 0.00 0.00 59.70 58.90 1mr3 h MET 107 Cb 0.25 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 1mr3 h MET 107 CO 0.00 0.68 -0.05 1.96 -0.40 0.00 0.00 176.91 179.10 1mr3 h GLN 108 N 0.72 0.80 -0.67 0.39 1.08 -0.67 -0.52 115.11 116.24 1mr3 h GLN 108 Ca 0.16 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1mr3 h GLN 108 Cb 0.28 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 1mr3 h GLN 108 CO -0.00 0.84 0.34 0.00 -0.95 0.00 0.00 178.83 179.06 1mr3 h ARG 109 N 0.73 0.95 -0.23 1.46 3.08 -0.83 -2.57 114.38 116.97 1mr3 h ARG 109 Ca 0.13 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1mr3 h ARG 109 Cb 0.52 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1mr3 h ARG 109 CO 0.03 0.73 -0.25 0.52 -1.07 0.00 0.00 179.97 179.93 1mr3 h MET 110 N 0.92 0.44 0.00 0.04 2.86 -0.91 -2.25 114.93 116.03 1mr3 h MET 110 Ca 0.23 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1mr3 h MET 110 Cb 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1mr3 h MET 110 CO -0.03 0.67 0.00 -0.07 1.06 0.00 0.00 176.91 178.53 1mr3 h LEU 111 N 0.39 0.00 -2.69 1.22 3.38 -0.72 -2.41 115.31 114.48 1mr3 h LEU 111 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1mr3 h LEU 111 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1mr3 h LEU 111 CO 0.05 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.17 1mr3 n ASN 112 N -2.55 3.49 -4.68 -0.43 3.02 -0.86 -4.92 115.26 108.34 1mr3 n ASN 112 Ca 0.01 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 1mr3 n ASN 112 Cb 0.22 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1mr3 n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1mr3 s GLU 113 N -1.06 4.35 0.23 3.52 0.41 -0.91 -4.94 118.70 120.29 1mr3 s GLU 113 Ca 0.38 1.28 -0.06 0.00 -0.41 0.00 0.00 54.97 56.16 1mr3 s GLU 113 Cb 0.20 -3.58 0.33 0.00 -1.78 0.00 0.00 34.13 29.31 1mr3 s GLU 113 CO 0.27 -0.40 1.83 -0.44 -0.49 0.00 0.00 175.26 176.02 1mr3 h ASP 114 N 7.25 0.70 0.00 -0.19 3.32 -1.92 -1.69 116.42 123.90 1mr3 h ASP 114 Ca -0.27 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1mr3 h ASP 114 Cb 1.12 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1mr3 h ASP 114 CO 0.88 0.43 0.00 -0.62 -1.72 0.00 0.00 179.24 178.22 1mr3 n GLU 115 N -4.71 0.58 0.00 3.56 -0.58 -1.26 -2.29 120.64 115.94 1mr3 n GLU 115 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1mr3 n GLU 115 Cb 0.21 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1mr3 n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1mr3 n LEU 116 N -0.77 1.13 -0.15 -4.62 4.77 -0.65 -3.43 117.00 113.29 1mr3 n LEU 116 Ca 0.07 -1.13 0.20 0.00 -0.03 0.00 0.00 56.01 55.12 1mr3 n LEU 116 Cb 0.03 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.71 1mr3 n LEU 116 CO 0.06 0.28 1.22 0.08 -1.33 0.00 0.00 177.39 177.70 1mr3 h ARG 117 N 0.00 0.25 -0.01 3.23 0.11 -1.28 -2.23 114.38 114.45 1mr3 h ARG 117 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1mr3 h ARG 117 Cb 0.58 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1mr3 h ARG 117 CO 0.00 0.17 -0.36 0.09 0.10 0.00 0.00 179.97 179.97 1mr3 n ASN 118 N -4.43 1.54 -4.72 0.08 3.02 -1.26 -4.95 115.26 104.54 1mr3 n ASN 118 Ca 0.15 -1.22 -0.42 0.00 -0.03 0.00 0.00 54.58 53.07 1mr3 n ASN 118 Cb 0.66 0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 1mr3 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mr3 s ALA 119 N -2.48 3.40 0.57 5.41 0.00 -0.84 -4.80 121.76 123.02 1mr3 s ALA 119 Ca 0.22 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1mr3 s ALA 119 Cb 0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1mr3 s ALA 119 CO 0.54 -0.39 1.09 0.14 0.00 0.00 0.00 175.76 177.14 1mr3 s VAL 120 N 0.65 3.47 -0.30 0.00 -7.23 -1.16 -4.79 120.40 111.04 1mr3 s VAL 120 Ca 0.56 0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 61.50 1mr3 s VAL 120 Cb -0.30 -3.30 0.04 0.00 0.56 0.00 0.00 36.38 33.38 1mr3 s VAL 120 CO 0.31 -0.31 0.02 0.86 -0.31 0.00 0.00 175.10 175.67 1mr3 s TRP 121 N -2.12 3.21 -0.21 2.82 -0.11 -0.09 -1.41 118.94 121.03 1mr3 s TRP 121 Ca 0.68 -1.60 -0.04 0.00 1.22 0.00 0.00 56.10 56.36 1mr3 s TRP 121 Cb -0.20 -2.15 -0.01 0.00 -1.50 0.00 0.00 33.47 29.61 1mr3 s TRP 121 CO 0.31 -0.74 -0.05 -1.17 -4.62 0.00 0.00 176.95 170.68 1mr3 s LEU 122 N 1.33 2.90 -0.17 5.86 2.96 0.07 -0.86 118.68 130.77 1mr3 s LEU 122 Ca -0.02 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1mr3 s LEU 122 Cb -0.19 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1mr3 s LEU 122 CO -0.00 -0.00 0.04 -0.69 -1.32 0.00 0.00 176.35 174.37 1mr3 s VAL 123 N 1.37 4.61 -0.40 1.68 1.01 0.24 -0.51 120.40 128.42 1mr3 s VAL 123 Ca 0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1mr3 s VAL 123 Cb -0.14 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1mr3 s VAL 123 CO -0.02 0.48 0.26 -0.36 0.00 0.00 0.00 175.10 175.45 1mr3 s PHE 124 N 0.28 3.24 -0.93 5.22 2.99 -0.26 -0.67 117.98 127.86 1mr3 s PHE 124 Ca 0.02 -0.79 -0.21 0.00 0.00 0.00 0.00 56.93 55.95 1mr3 s PHE 124 Cb -0.13 -2.54 0.08 0.00 0.00 0.00 0.00 43.02 40.44 1mr3 s PHE 124 CO 0.01 -0.63 1.26 0.00 -0.00 0.00 0.00 175.22 175.86 1mr3 s ALA 125 N 1.62 3.03 0.57 5.36 0.00 0.29 -0.85 121.76 131.77 1mr3 s ALA 125 Ca 0.04 -2.38 -0.06 0.00 0.00 0.00 0.00 51.96 49.56 1mr3 s ALA 125 Cb -0.19 -4.25 -0.00 0.00 0.00 0.00 0.00 23.12 18.68 1mr3 s ALA 125 CO 0.08 -3.25 0.87 1.21 0.00 0.00 0.00 175.76 174.68 1mr3 s ASN 126 N 4.21 5.72 -0.97 0.00 2.47 -0.07 -1.02 114.94 125.28 1mr3 s ASN 126 Ca 0.37 0.74 -0.02 0.00 0.42 0.00 0.00 52.86 54.38 1mr3 s ASN 126 Cb -0.04 -1.80 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1mr3 s ASN 126 CO -0.06 -0.97 0.30 0.29 -3.72 0.00 0.00 177.10 172.94 1mr3 n LYS 127 N -2.51 -2.60 0.00 0.43 5.02 -0.82 -0.96 118.16 116.71 1mr3 n LYS 127 Ca 0.04 0.57 0.08 0.00 -2.02 0.00 0.00 58.31 56.97 1mr3 n LYS 127 Cb 0.57 -4.70 0.38 0.00 -0.02 0.00 0.00 35.03 31.26 1mr3 n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1mr3 n GLN 128 N -2.63 0.11 0.15 1.97 1.13 -0.87 -2.41 117.38 114.82 1mr3 n GLN 128 Ca -0.08 0.18 0.13 0.00 -1.94 0.00 0.00 57.00 55.29 1mr3 n GLN 128 Cb 0.58 -1.50 0.49 0.00 0.11 0.00 0.00 30.24 29.92 1mr3 n GLN 128 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1mr3 h ASP 129 N 0.00 0.00 -3.49 1.08 3.04 -1.91 -3.41 116.42 111.72 1mr3 h ASP 129 Ca 0.00 0.00 -0.61 0.00 -3.24 0.00 0.00 57.03 53.18 1mr3 h ASP 129 Cb 0.22 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 38.40 1mr3 h ASP 129 CO 0.00 0.00 0.27 -0.76 -2.04 0.00 0.00 179.24 176.71 1mr3 s LEU 130 N -4.82 4.13 0.45 0.15 1.43 -1.01 -4.94 118.68 114.06 1mr3 s LEU 130 Ca 0.05 0.49 0.13 0.00 -1.03 0.00 0.00 54.13 53.77 1mr3 s LEU 130 Cb 0.10 -2.94 1.05 0.00 0.03 0.00 0.00 46.19 44.43 1mr3 s LEU 130 CO 0.47 -0.57 2.04 -0.65 0.23 0.00 0.00 176.35 177.87 1mr3 h PRO 131 N 8.21 0.34 0.00 1.29 0.11 -1.90 -1.96 132.00 138.09 1mr3 h PRO 131 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1mr3 h PRO 131 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1mr3 h PRO 131 CO 0.85 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 178.01 1mr3 n GLU 132 N -4.48 0.65 -1.47 1.05 0.00 -1.26 -4.87 120.64 110.27 1mr3 n GLU 132 Ca 0.05 0.01 -0.29 0.00 0.00 0.00 0.00 57.16 56.94 1mr3 n GLU 132 Cb 0.24 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.31 1mr3 n GLU 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mr3 s ALA 133 N -2.27 1.70 0.52 -1.84 0.00 -0.74 -4.94 121.76 114.19 1mr3 s ALA 133 Ca 0.35 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.69 1mr3 s ALA 133 Cb 0.19 -3.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 1mr3 s ALA 133 CO 0.37 -2.30 1.01 -1.64 0.00 0.00 0.00 175.76 173.20 1mr3 s MET 134 N -5.20 3.81 0.64 0.00 -1.94 0.30 -4.95 119.30 111.96 1mr3 s MET 134 Ca 0.64 1.11 -0.09 0.00 -1.71 0.00 0.00 55.69 55.64 1mr3 s MET 134 Cb -0.15 -2.11 0.01 0.00 2.01 0.00 0.00 34.83 34.58 1mr3 s MET 134 CO 0.54 -0.39 0.99 -1.54 -0.01 0.00 0.00 175.02 174.61 1mr3 s SER 135 N -2.67 5.58 0.31 3.03 1.04 -1.26 -4.85 113.70 114.87 1mr3 s SER 135 Ca 0.62 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.99 1mr3 s SER 135 Cb -0.12 -1.86 0.49 0.00 0.10 0.00 0.00 66.02 64.62 1mr3 s SER 135 CO 0.28 -1.16 1.97 0.00 0.98 0.00 0.00 173.24 175.30 1mr3 h ALA 136 N -0.38 1.45 -0.79 5.32 0.00 -1.96 -1.69 119.26 121.20 1mr3 h ALA 136 Ca -0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1mr3 h ALA 136 Cb 1.25 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1mr3 h ALA 136 CO 0.62 0.49 0.34 0.00 0.00 0.00 0.00 179.25 180.71 1mr3 h ALA 137 N 1.51 1.11 -0.52 0.00 0.00 -1.99 0.36 119.26 119.71 1mr3 h ALA 137 Ca 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1mr3 h ALA 137 Cb -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1mr3 h ALA 137 CO -0.08 0.65 0.19 0.93 0.00 0.00 0.00 179.25 180.94 1mr3 h GLU 138 N 1.14 0.80 -0.51 0.00 5.08 -1.71 -2.33 114.58 117.06 1mr3 h GLU 138 Ca 0.27 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1mr3 h GLU 138 Cb 0.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1mr3 h GLU 138 CO -0.03 0.72 -0.09 0.82 -1.00 0.00 0.00 179.01 179.44 1mr3 h ILE 139 N 0.71 1.26 -0.64 3.13 2.04 -0.96 -1.31 117.51 121.74 1mr3 h ILE 139 Ca 0.17 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1mr3 h ILE 139 Cb 0.24 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1mr3 h ILE 139 CO -0.01 0.42 0.40 0.74 0.00 0.00 0.00 178.15 179.70 1mr3 h THR 140 N 0.83 1.10 -0.04 -0.27 2.02 -0.73 -0.29 112.91 115.53 1mr3 h THR 140 Ca 0.14 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1mr3 h THR 140 Cb 0.61 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1mr3 h THR 140 CO 0.04 0.15 -0.02 -0.08 0.37 0.00 0.00 175.52 175.98 1mr3 h GLU 141 N 0.80 0.08 -0.73 6.66 4.57 -1.21 -2.30 114.58 122.44 1mr3 h GLU 141 Ca 0.25 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1mr3 h GLU 141 Cb -0.01 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1mr3 h GLU 141 CO -0.09 0.45 0.40 0.87 -1.18 0.00 0.00 179.01 179.46 1mr3 h LYS 142 N -0.30 1.01 0.00 1.92 1.57 -1.04 -1.99 116.57 117.75 1mr3 h LYS 142 Ca 0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1mr3 h LYS 142 Cb 0.43 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1mr3 h LYS 142 CO 0.01 0.75 0.00 1.28 -0.57 0.00 0.00 179.45 180.91 1mr3 n LEU 143 N -4.36 0.54 -0.95 2.94 4.77 -0.14 -4.90 117.00 114.91 1mr3 n LEU 143 Ca 0.07 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.52 1mr3 n LEU 143 Cb 0.10 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1mr3 n LEU 143 CO 0.38 -0.16 -0.11 0.61 -1.33 0.00 0.00 177.39 176.78 1mr3 n GLY 144 N 1.23 0.15 0.36 -0.72 0.00 -0.75 -4.94 105.19 100.52 1mr3 n GLY 144 Ca 0.06 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.59 1mr3 n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mr3 h LEU 145 N 0.00 0.81 -1.37 0.99 3.38 -1.69 -1.55 115.31 115.87 1mr3 h LEU 145 Ca -0.20 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1mr3 h LEU 145 Cb 1.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1mr3 h LEU 145 CO 0.25 0.51 0.00 0.45 0.09 0.00 0.00 178.44 179.74 1mr3 h HIS 146 N 0.91 0.00 -0.00 1.13 3.86 -1.92 -1.11 115.15 118.01 1mr3 h HIS 146 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1mr3 h HIS 146 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1mr3 h HIS 146 CO -0.00 0.00 -0.20 0.43 0.86 0.00 0.00 177.93 179.02 1mr3 n SER 147 N -2.45 0.65 -4.75 2.45 7.64 -0.58 -4.87 113.62 111.71 1mr3 n SER 147 Ca -0.00 -0.60 -0.41 0.00 1.01 0.00 0.00 58.87 58.87 1mr3 n SER 147 Cb 0.14 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 1mr3 n SER 147 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1mr3 s ILE 148 N -2.56 3.07 0.06 0.44 1.01 -0.42 -5.03 121.20 117.76 1mr3 s ILE 148 Ca 0.25 0.98 0.05 0.00 0.00 0.00 0.00 60.65 61.93 1mr3 s ILE 148 Cb 0.19 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1mr3 s ILE 148 CO 0.52 0.20 -0.14 -0.13 0.00 0.00 0.00 174.94 175.39 1mr3 s ARG 149 N -0.99 0.83 -1.47 2.79 1.81 -1.26 -4.84 118.95 115.82 1mr3 s ARG 149 Ca 0.51 -0.87 -0.12 0.00 -1.72 0.00 0.00 55.73 53.53 1mr3 s ARG 149 Cb -0.37 -0.83 0.06 0.00 -0.45 0.00 0.00 34.95 33.36 1mr3 s ARG 149 CO 0.44 0.19 1.05 0.09 -0.68 0.00 0.00 175.30 176.39 1mr3 n ASN 150 N 1.51 -5.45 -3.61 0.23 3.02 -1.26 -4.98 115.26 104.72 1mr3 n ASN 150 Ca -0.20 -0.67 -0.02 0.00 -0.03 0.00 0.00 54.58 53.66 1mr3 n ASN 150 Cb 0.54 -4.32 -0.05 0.00 -0.61 0.00 0.00 39.78 35.35 1mr3 n ASN 150 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1mr3 s ARG 151 N -6.48 0.55 0.28 3.52 3.52 -1.26 -5.04 118.95 114.04 1mr3 s ARG 151 Ca 0.63 1.29 -0.29 0.00 -0.13 0.00 0.00 55.73 57.22 1mr3 s ARG 151 Cb -0.30 0.67 -0.10 0.00 -1.56 0.00 0.00 34.95 33.65 1mr3 s ARG 151 CO 0.78 -0.17 1.38 -2.14 -0.81 0.00 0.00 175.30 174.33 1mr3 s PRO 152 N 2.57 4.31 0.07 5.12 0.02 -1.26 -4.89 135.00 140.93 1mr3 s PRO 152 Ca -0.06 2.26 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 1mr3 s PRO 152 Cb -0.10 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 1mr3 s PRO 152 CO -0.19 -0.31 0.12 1.67 -0.33 0.00 0.00 177.00 177.96 1mr3 s TRP 153 N -0.52 0.25 -0.14 6.54 1.48 -1.26 -0.91 118.94 124.39 1mr3 s TRP 153 Ca 0.54 -0.69 -0.24 0.00 -1.06 0.00 0.00 56.10 54.66 1mr3 s TRP 153 Cb -0.41 -0.16 0.06 0.00 -1.16 0.00 0.00 33.47 31.80 1mr3 s TRP 153 CO 0.48 -0.47 0.59 0.12 -4.06 0.00 0.00 176.95 173.61 1mr3 s PHE 154 N -3.64 -0.60 -0.10 1.66 5.36 -0.04 -4.97 117.98 115.66 1mr3 s PHE 154 Ca 0.04 1.26 0.04 0.00 -0.96 0.00 0.00 56.93 57.31 1mr3 s PHE 154 Cb 0.05 0.27 -0.00 0.00 -0.34 0.00 0.00 43.02 43.00 1mr3 s PHE 154 CO -0.10 -0.43 -0.23 -1.50 -1.46 0.00 0.00 175.22 171.50 1mr3 s ILE 155 N -0.44 2.17 -0.08 3.12 2.07 -1.26 -0.59 121.20 126.19 1mr3 s ILE 155 Ca -0.06 -0.99 0.04 0.00 -1.41 0.00 0.00 60.65 58.23 1mr3 s ILE 155 Cb -0.03 -1.83 0.00 0.00 0.13 0.00 0.00 42.46 40.73 1mr3 s ILE 155 CO 0.05 0.56 -0.21 -1.58 -1.91 0.00 0.00 174.94 171.85 1mr3 s GLN 156 N 0.24 2.55 0.11 3.50 2.00 0.16 -4.96 119.66 123.26 1mr3 s GLN 156 Ca -0.15 -0.75 -0.30 0.00 -2.00 0.00 0.00 55.36 52.16 1mr3 s GLN 156 Cb -0.17 -2.00 -0.06 0.00 0.80 0.00 0.00 33.01 31.58 1mr3 s GLN 156 CO 0.08 0.17 1.07 -1.12 -0.50 0.00 0.00 175.29 174.99 1mr3 s SER 157 N 0.33 7.29 0.06 6.67 0.01 -1.26 -0.55 113.70 126.25 1mr3 s SER 157 Ca -0.15 1.94 -0.02 0.00 1.31 0.00 0.00 55.95 59.03 1mr3 s SER 157 Cb -0.16 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1mr3 s SER 157 CO 0.06 -0.25 0.01 0.42 0.41 0.00 0.00 173.24 173.90 1mr3 s THR 158 N 0.29 0.20 -0.32 1.44 -4.23 -0.19 -4.35 115.64 108.48 1mr3 s THR 158 Ca 0.51 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1mr3 s THR 158 Cb -0.27 -1.50 0.11 0.00 1.34 0.00 0.00 72.50 72.18 1mr3 s THR 158 CO 0.31 -0.93 0.13 0.00 -0.54 0.00 0.00 174.62 173.60 1mr3 h ALA 160 N 7.92 1.37 -0.34 0.00 0.00 -1.92 0.30 119.26 126.59 1mr3 h ALA 160 Ca -0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1mr3 h ALA 160 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1mr3 h ALA 160 CO 0.44 0.07 0.02 1.15 0.00 0.00 0.00 179.25 180.93 1mr3 h THR 161 N 0.00 1.25 0.00 0.00 2.02 -1.94 -3.24 112.91 111.00 1mr3 h THR 161 Ca -0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1mr3 h THR 161 Cb 0.17 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1mr3 h THR 161 CO 0.01 0.31 -1.31 -1.54 0.37 0.00 0.00 175.52 173.35 1mr3 n SER 162 N -4.54 0.51 0.00 4.18 3.41 -0.98 -4.97 113.62 111.22 1mr3 n SER 162 Ca -0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1mr3 n SER 162 Cb 0.25 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1mr3 n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mr3 n GLY 163 N 1.33 0.80 3.73 5.00 0.00 0.10 -5.03 105.19 111.13 1mr3 n GLY 163 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1mr3 n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mr3 s GLU 164 N -0.49 4.20 0.00 1.61 2.02 -1.06 -2.64 118.70 122.34 1mr3 s GLU 164 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.40 1mr3 s GLU 164 Cb 0.00 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1mr3 s GLU 164 CO 0.00 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1mr3 n GLY 165 N 3.20 3.14 0.21 -1.39 0.00 -1.26 -1.59 105.19 107.50 1mr3 n GLY 165 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1mr3 n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mr3 h LEU 166 N 0.00 0.60 -0.24 0.99 3.38 -1.79 -2.03 115.31 116.23 1mr3 h LEU 166 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1mr3 h LEU 166 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1mr3 h LEU 166 CO 0.00 0.48 0.04 0.22 0.09 0.00 0.00 178.44 179.27 1mr3 h TYR 167 N 0.67 0.42 -0.73 1.13 3.20 -1.91 -1.91 116.97 117.85 1mr3 h TYR 167 Ca 0.18 -0.06 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1mr3 h TYR 167 Cb -0.01 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 1mr3 h TYR 167 CO -0.03 0.52 0.36 0.93 -1.64 0.00 0.00 178.16 178.31 1mr3 h GLU 168 N 0.20 0.58 -0.14 1.82 3.07 -1.92 0.29 114.58 118.47 1mr3 h GLU 168 Ca 0.07 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1mr3 h GLU 168 Cb 0.33 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1mr3 h GLU 168 CO 0.01 0.38 -0.06 0.78 -1.40 0.00 0.00 179.01 178.72 1mr3 h GLY 169 N 0.60 0.32 2.00 -3.84 0.00 -1.25 -2.43 103.07 98.46 1mr3 h GLY 169 Ca 0.36 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1mr3 h GLY 169 CO -0.29 0.25 -0.19 1.41 0.00 0.00 0.00 176.54 177.73 1mr3 h LEU 170 N -0.03 0.00 -0.01 3.11 3.38 -0.89 -0.99 115.31 119.87 1mr3 h LEU 170 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1mr3 h LEU 170 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1mr3 h LEU 170 CO 0.02 0.19 0.00 -0.08 0.09 0.00 0.00 178.44 178.65 1mr3 h GLU 171 N 0.00 0.02 -0.36 1.13 4.81 -0.26 0.10 114.58 120.02 1mr3 h GLU 171 Ca -0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1mr3 h GLU 171 Cb 0.41 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1mr3 h GLU 171 CO 0.02 0.31 0.15 2.35 -0.73 0.00 0.00 179.01 181.11 1mr3 h TRP 172 N -0.27 0.28 -0.57 0.92 7.01 -0.96 -1.19 115.95 121.18 1mr3 h TRP 172 Ca 0.00 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.07 1mr3 h TRP 172 Cb 0.30 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 1mr3 h TRP 172 CO 0.03 0.14 0.30 1.25 -2.79 0.00 0.00 178.44 177.36 1mr3 h LEU 173 N 0.32 0.43 -1.03 0.65 5.85 -0.98 -0.31 115.31 120.25 1mr3 h LEU 173 Ca 0.16 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1mr3 h LEU 173 Cb 0.10 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1mr3 h LEU 173 CO -0.13 0.29 -0.08 -1.28 -0.34 0.00 0.00 178.44 176.89 1mr3 h SER 174 N 0.56 0.59 1.73 1.25 0.87 -0.31 0.44 113.55 118.68 1mr3 h SER 174 Ca 0.25 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1mr3 h SER 174 Cb 0.16 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1mr3 h SER 174 CO -0.17 0.71 -0.16 0.78 -0.53 0.00 0.00 176.83 177.46 1mr3 h ASN 175 N 0.57 0.00 0.00 6.23 -0.26 -0.62 -3.35 115.58 118.14 1mr3 h ASN 175 Ca 0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1mr3 h ASN 175 Cb 0.48 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1mr3 h ASN 175 CO 0.03 0.16 -1.44 0.59 -1.06 0.00 0.00 177.43 175.70 1mr3 n ASN 176 N -3.15 2.83 -4.70 5.81 3.02 -0.18 -5.01 115.26 113.88 1mr3 n ASN 176 Ca 0.03 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.14 1mr3 n ASN 176 Cb 0.57 1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 41.10 1mr3 n ASN 176 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1mr3 n LEU 177 N -1.86 3.56 -4.64 3.41 0.00 0.15 -4.93 117.00 112.71 1mr3 n LEU 177 Ca -0.02 1.10 -0.37 0.00 0.00 0.00 0.00 56.01 56.71 1mr3 n LEU 177 Cb 0.27 -1.50 -0.09 0.00 0.00 0.00 0.00 43.42 42.10 1mr3 n LEU 177 CO 0.20 -0.12 -0.10 -0.54 0.00 0.00 0.00 177.39 176.83 1mr3 s LYS 178 N 0.49 4.05 0.28 1.96 1.02 -1.26 -4.99 119.74 121.29 1mr3 s LYS 178 Ca 0.73 -0.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.27 1mr3 s LYS 178 Cb -0.59 -3.58 -0.09 0.00 -0.52 0.00 0.00 37.83 33.04 1mr3 s LYS 178 CO 0.40 -0.05 1.05 -0.80 -0.92 0.00 0.00 175.35 175.03 1mr3 s ASN 179 N 1.28 7.33 -0.08 2.83 0.01 -1.26 -4.86 114.94 120.19 1mr3 s ASN 179 Ca 0.10 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.42 1mr3 s ASN 179 Cb -0.15 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 38.92 1mr3 s ASN 179 CO 0.07 -0.09 -0.08 -1.58 -1.51 0.00 0.00 177.10 173.92 1mr3 s GLN 180 N -1.46 1.36 0.00 -0.60 2.00 -1.26 -5.17 119.66 114.52 1mr3 s GLN 180 Ca 0.45 -0.23 0.30 0.00 -2.00 0.00 0.00 55.36 53.87 1mr3 s GLN 180 Cb -0.29 -1.35 1.39 0.00 0.80 0.00 0.00 33.01 33.56 1mr3 s GLN 180 CO 0.37 -0.16 1.94 0.43 -0.50 0.00 0.00 175.29 177.37