#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3e s GLY 3 N 0.00 1.69 0.76 0.00 0.00 -1.26 -5.11 107.32 103.40 1x3e s GLY 3 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 1x3e s GLY 3 CO 0.00 0.38 1.10 0.99 0.00 0.00 0.00 173.10 175.57 1x3e s ASP 4 N 1.32 4.89 -0.32 1.64 1.11 -1.26 -5.01 116.67 119.05 1x3e s ASP 4 Ca 0.04 1.25 -0.27 0.00 0.18 0.00 0.00 52.55 53.75 1x3e s ASP 4 Cb -0.15 -2.01 0.01 0.00 1.07 0.00 0.00 42.92 41.85 1x3e s ASP 4 CO 0.01 -1.71 0.98 -0.89 1.18 0.00 0.00 175.17 174.74 1x3e s THR 5 N -3.23 4.60 0.17 -1.27 2.01 -1.26 -5.01 115.64 111.65 1x3e s THR 5 Ca 0.60 1.55 0.07 0.00 0.31 0.00 0.00 61.69 64.21 1x3e s THR 5 Cb -0.13 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1x3e s THR 5 CO 0.53 -0.41 0.00 0.28 -0.69 0.00 0.00 174.62 174.34 1x3e s THR 6 N 3.42 3.75 -0.00 -0.82 -1.32 -1.26 -1.30 115.64 118.11 1x3e s THR 6 Ca 0.41 -1.38 -0.17 0.00 -1.21 0.00 0.00 61.69 59.34 1x3e s THR 6 Cb -0.13 -2.88 0.03 0.00 -1.51 0.00 0.00 72.50 68.01 1x3e s THR 6 CO 0.14 -0.09 0.36 -0.51 -2.21 0.00 0.00 174.62 172.31 1x3e s ILE 7 N -1.69 0.05 -0.11 5.08 2.07 -0.44 -4.89 121.20 121.27 1x3e s ILE 7 Ca 0.27 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 1x3e s ILE 7 Cb -0.10 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.77 1x3e s ILE 7 CO 0.19 -0.25 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.89 1x3e s THR 8 N -1.61 1.77 -0.00 4.00 2.01 -1.26 -1.89 115.64 118.66 1x3e s THR 8 Ca -0.11 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1x3e s THR 8 Cb -0.04 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1x3e s THR 8 CO 0.03 0.49 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 1x3e s VAL 9 N 0.79 1.35 -0.07 3.82 1.01 0.96 -4.97 120.40 123.29 1x3e s VAL 9 Ca -0.10 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1x3e s VAL 9 Cb -0.16 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1x3e s VAL 9 CO 0.01 0.32 -0.24 -0.69 0.00 0.00 0.00 175.10 174.50 1x3e s VAL 10 N -0.49 2.14 -1.38 2.92 1.01 -1.26 -0.71 120.40 122.63 1x3e s VAL 10 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1x3e s VAL 10 Cb -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1x3e s VAL 10 CO -0.00 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1x3e n GLY 11 N 3.09 -1.14 3.53 4.51 0.00 -0.60 -4.43 105.19 110.15 1x3e n GLY 11 Ca -0.18 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1x3e n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x3e s ASN 12 N -4.00 4.21 0.19 1.61 -0.87 -0.61 0.42 114.94 115.88 1x3e s ASN 12 Ca 0.00 -0.33 -0.30 0.00 -1.57 0.00 0.00 52.86 50.66 1x3e s ASN 12 Cb 0.00 -0.81 -0.08 0.00 -0.02 0.00 0.00 41.25 40.33 1x3e s ASN 12 CO 0.00 0.24 1.27 -0.76 -2.57 0.00 0.00 177.10 175.29 1x3e s LEU 13 N -1.63 4.42 0.48 0.60 1.43 -0.35 -0.43 118.68 123.19 1x3e s LEU 13 Ca 0.17 2.34 0.27 0.00 -1.03 0.00 0.00 54.13 55.88 1x3e s LEU 13 Cb -0.11 -3.61 0.89 0.00 0.03 0.00 0.00 46.19 43.39 1x3e s LEU 13 CO 0.08 -0.48 1.81 0.71 0.23 0.00 0.00 176.35 178.70 1x3e h THR 14 N 3.78 0.18 -3.26 5.49 1.35 -1.70 0.33 112.91 119.08 1x3e h THR 14 Ca -0.44 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1x3e h THR 14 Cb 1.21 1.77 -0.09 0.00 -1.73 0.00 0.00 68.15 69.31 1x3e h THR 14 CO 0.77 0.08 0.07 0.00 -0.25 0.00 0.00 175.52 176.18 1x3e s ALA 15 N -3.48 -0.98 0.30 6.62 0.00 -1.26 -4.73 121.76 118.23 1x3e s ALA 15 Ca 0.03 -0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 1x3e s ALA 15 Cb 0.08 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 23.93 1x3e s ALA 15 CO 0.61 -0.84 1.05 -0.25 0.00 0.00 0.00 175.76 176.33 1x3e n ASP 16 N -0.37 1.50 -4.68 0.00 9.92 -1.26 -3.69 116.55 117.97 1x3e n ASP 16 Ca -0.09 1.18 -0.45 0.00 -0.53 0.00 0.00 54.79 54.90 1x3e n ASP 16 Cb 0.62 -1.32 -0.04 0.00 -0.64 0.00 0.00 41.12 39.75 1x3e n ASP 16 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1x3e n PRO 17 N 0.70 2.29 -2.71 -0.24 -0.02 -1.26 -4.85 135.00 128.91 1x3e n PRO 17 Ca 0.09 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 1x3e n PRO 17 Cb 0.32 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 1x3e n PRO 17 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1x3e s GLU 18 N 0.93 3.94 -0.21 -0.52 2.02 -0.39 -4.92 118.70 119.55 1x3e s GLU 18 Ca 0.78 0.81 -0.08 0.00 0.02 0.00 0.00 54.97 56.50 1x3e s GLU 18 Cb -0.64 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 29.78 1x3e s GLU 18 CO 0.37 -0.96 0.08 -1.17 0.02 0.00 0.00 175.26 173.60 1x3e s LEU 19 N 3.63 3.72 0.34 1.80 2.96 -1.26 -1.26 118.68 128.61 1x3e s LEU 19 Ca 0.42 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1x3e s LEU 19 Cb -0.12 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1x3e s LEU 19 CO 0.18 0.09 0.07 -0.13 -1.32 0.00 0.00 176.35 175.25 1x3e s ARG 20 N 0.87 1.68 -0.06 1.98 0.52 0.63 -5.00 118.95 119.58 1x3e s ARG 20 Ca 0.04 -1.95 0.01 0.00 -0.52 0.00 0.00 55.73 53.31 1x3e s ARG 20 Cb -0.14 -0.76 0.02 0.00 0.52 0.00 0.00 34.95 34.59 1x3e s ARG 20 CO 0.03 -0.26 -0.08 -0.06 0.02 0.00 0.00 175.30 174.95 1x3e s PHE 21 N -3.33 1.11 1.12 -0.53 0.40 -1.26 -0.61 117.98 114.87 1x3e s PHE 21 Ca 0.34 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 1x3e s PHE 21 Cb 0.07 -0.89 0.26 0.00 0.51 0.00 0.00 43.02 42.97 1x3e s PHE 21 CO 0.15 -0.26 1.05 0.95 0.70 0.00 0.00 175.22 177.81 1x3e s THR 22 N 0.91 2.05 0.51 0.64 -4.23 0.74 -4.84 115.64 111.42 1x3e s THR 22 Ca -0.11 0.02 0.19 0.00 -1.18 0.00 0.00 61.69 60.61 1x3e s THR 22 Cb -0.15 -2.15 0.32 0.00 1.34 0.00 0.00 72.50 71.86 1x3e s THR 22 CO 0.01 -0.02 2.07 1.55 -0.54 0.00 0.00 174.62 177.69 1x3e h PRO 23 N -2.44 0.06 0.00 3.99 0.13 -2.01 -0.92 132.00 130.81 1x3e h PRO 23 Ca -0.59 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1x3e h PRO 23 Cb 1.33 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1x3e h PRO 23 CO 0.51 0.04 0.00 -1.13 -0.23 0.00 0.00 178.00 177.19 1x3e n SER 24 N -4.47 0.00 0.00 1.44 3.41 -1.26 -4.88 113.62 107.86 1x3e n SER 24 Ca 0.03 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1x3e n SER 24 Cb 0.30 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1x3e n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3e n GLY 25 N 0.40 0.55 3.73 5.00 0.00 -0.35 -5.05 105.19 109.47 1x3e n GLY 25 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1x3e n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3e s ALA 26 N -2.15 3.75 0.34 4.61 0.00 -1.26 -4.66 121.76 122.39 1x3e s ALA 26 Ca 0.00 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.11 1x3e s ALA 26 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1x3e s ALA 26 CO 0.00 -0.82 1.01 0.00 0.00 0.00 0.00 175.76 175.95 1x3e s ALA 27 N 0.64 3.20 -0.02 0.00 0.00 -1.26 -0.18 121.76 124.13 1x3e s ALA 27 Ca 0.66 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1x3e s ALA 27 Cb -0.44 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.46 1x3e s ALA 27 CO 0.37 -0.02 0.00 0.54 0.00 0.00 0.00 175.76 176.66 1x3e s VAL 28 N -1.53 0.12 -0.04 0.00 0.11 0.21 -0.74 120.40 118.53 1x3e s VAL 28 Ca 0.51 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.71 1x3e s VAL 28 Cb -0.22 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1x3e s VAL 28 CO 0.28 0.11 -0.21 0.00 -3.33 0.00 0.00 175.10 171.96 1x3e s ALA 29 N 0.84 2.38 0.06 1.54 0.00 -0.59 -0.27 121.76 125.73 1x3e s ALA 29 Ca -0.08 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.89 1x3e s ALA 29 Cb -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1x3e s ALA 29 CO -0.02 0.52 -0.17 -0.80 0.00 0.00 0.00 175.76 175.29 1x3e s ASN 30 N -0.58 2.02 0.13 0.00 -0.87 -0.39 -1.88 114.94 113.36 1x3e s ASN 30 Ca 0.08 -0.55 -0.25 0.00 -1.57 0.00 0.00 52.86 50.57 1x3e s ASN 30 Cb -0.11 -0.12 0.07 0.00 -0.02 0.00 0.00 41.25 41.07 1x3e s ASN 30 CO 0.00 0.04 0.82 0.72 -2.57 0.00 0.00 177.10 176.11 1x3e s PHE 31 N -0.99 -0.30 -0.09 2.20 -0.71 -0.91 -1.27 117.98 115.92 1x3e s PHE 31 Ca 0.03 0.04 0.04 0.00 -1.04 0.00 0.00 56.93 56.00 1x3e s PHE 31 Cb -0.09 0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 42.32 1x3e s PHE 31 CO 0.02 -0.81 -0.22 0.95 -1.34 0.00 0.00 175.22 173.82 1x3e s THR 32 N -3.44 2.30 -0.19 -4.49 -4.23 -1.26 0.04 115.64 104.37 1x3e s THR 32 Ca 0.07 -0.96 -0.19 0.00 -1.18 0.00 0.00 61.69 59.44 1x3e s THR 32 Cb -0.02 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 1x3e s THR 32 CO -0.04 0.56 0.54 -0.69 -0.54 0.00 0.00 174.62 174.45 1x3e s VAL 33 N 0.10 5.10 -0.40 2.29 1.01 -0.19 -1.74 120.40 126.56 1x3e s VAL 33 Ca -0.10 1.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 1x3e s VAL 33 Cb -0.16 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1x3e s VAL 33 CO 0.06 0.18 0.43 0.00 0.00 0.00 0.00 175.10 175.78 1x3e s ALA 34 N 1.55 3.44 -0.34 5.51 0.00 0.42 -1.34 121.76 130.99 1x3e s ALA 34 Ca 0.25 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 1x3e s ALA 34 Cb -0.15 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1x3e s ALA 34 CO 0.10 -1.48 0.19 0.45 0.00 0.00 0.00 175.76 175.02 1x3e s SER 35 N 1.80 5.69 -0.53 0.00 0.15 0.11 -1.57 113.70 119.36 1x3e s SER 35 Ca 0.13 -0.71 -0.15 0.00 0.70 0.00 0.00 55.95 55.91 1x3e s SER 35 Cb -0.17 -2.03 0.12 0.00 -1.71 0.00 0.00 66.02 62.24 1x3e s SER 35 CO 0.13 -0.28 0.47 0.42 1.20 0.00 0.00 173.24 175.18 1x3e s THR 36 N 1.60 5.07 1.11 6.45 -4.23 -1.26 -1.41 115.64 122.97 1x3e s THR 36 Ca 0.04 -1.50 -0.17 0.00 -1.18 0.00 0.00 61.69 58.87 1x3e s THR 36 Cb -0.18 -4.24 0.25 0.00 1.34 0.00 0.00 72.50 69.66 1x3e s THR 36 CO 0.07 -0.83 1.14 -2.16 -0.54 0.00 0.00 174.62 172.30 1x3e s PRO 37 N 1.57 -0.48 -0.12 3.99 0.04 -1.26 -4.86 135.00 133.87 1x3e s PRO 37 Ca 0.03 -0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.00 1x3e s PRO 37 Cb -0.29 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1x3e s PRO 37 CO 0.03 -3.23 0.28 1.03 0.04 0.00 0.00 177.00 175.15 1x3e s ARG 38 N -5.41 0.22 0.36 4.56 0.52 -1.26 -1.13 118.95 116.80 1x3e s ARG 38 Ca 0.70 0.64 0.07 0.00 -0.52 0.00 0.00 55.73 56.62 1x3e s ARG 38 Cb -0.10 -0.07 -0.00 0.00 0.52 0.00 0.00 34.95 35.29 1x3e s ARG 38 CO 0.55 -0.20 0.50 0.00 0.02 0.00 0.00 175.30 176.18 1x3e s MET 39 N 1.63 3.04 0.27 3.54 0.00 -1.04 -4.92 119.30 121.83 1x3e s MET 39 Ca -0.06 -1.05 0.04 0.00 0.00 0.00 0.00 55.69 54.61 1x3e s MET 39 Cb -0.11 -2.80 0.38 0.00 0.00 0.00 0.00 34.83 32.31 1x3e s MET 39 CO -0.09 -0.04 1.67 0.74 0.00 0.00 0.00 175.02 177.30 1x3e h PHE 40 N 0.81 0.42 -5.66 3.16 0.04 -1.89 -3.10 116.94 110.71 1x3e h PHE 40 Ca -0.44 -0.11 -0.14 0.00 2.80 0.00 0.00 57.97 60.07 1x3e h PHE 40 Cb 1.26 -0.09 0.03 0.00 2.20 0.00 0.00 35.95 39.35 1x3e h PHE 40 CO 0.42 0.70 -0.35 -0.25 -0.60 0.00 0.00 178.31 178.23 1x3e n ASP 41 N -4.03 -7.02 -3.00 2.17 10.43 -1.26 -4.42 116.55 109.41 1x3e n ASP 41 Ca -0.01 -0.36 -0.07 0.00 2.57 0.00 0.00 54.79 56.92 1x3e n ASP 41 Cb 0.48 -4.58 0.06 0.00 1.84 0.00 0.00 41.12 38.92 1x3e n ASP 41 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1x3e n ARG 42 N -2.26 -2.48 -3.12 -1.24 3.00 -1.26 -4.45 116.66 104.85 1x3e n ARG 42 Ca -0.07 -0.34 -0.03 0.00 -0.00 0.00 0.00 57.85 57.42 1x3e n ARG 42 Cb 0.55 -0.42 0.00 0.00 0.00 0.00 0.00 32.46 32.60 1x3e n ARG 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1x3e n GLN 43 N -2.77 -1.41 -0.63 -0.14 3.00 -1.26 -4.77 117.38 109.41 1x3e n GLN 43 Ca 0.03 1.47 0.04 0.00 -0.01 0.00 0.00 57.00 58.53 1x3e n GLN 43 Cb 0.13 -5.43 -0.01 0.00 0.00 0.00 0.00 30.24 24.93 1x3e n GLN 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1x3e n SER 44 N -1.75 -1.91 0.00 1.08 7.64 -1.26 -5.05 113.62 112.37 1x3e n SER 44 Ca -0.02 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1x3e n SER 44 Cb 0.52 -2.02 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 1x3e n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3e n GLY 45 N -2.25 1.30 0.00 0.23 0.00 -1.26 -4.95 105.19 98.26 1x3e n GLY 45 Ca -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1x3e n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x3e n GLU 46 N 1.31 0.34 -2.05 1.61 -0.58 -1.26 -4.85 120.64 115.16 1x3e n GLU 46 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1x3e n GLU 46 Cb 0.00 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.02 1x3e n GLU 46 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1x3e s TRP 47 N 0.00 1.88 -0.27 -0.32 0.51 -1.26 -4.46 118.94 115.02 1x3e s TRP 47 Ca 0.00 0.29 -0.08 0.00 -2.12 0.00 0.00 56.10 54.20 1x3e s TRP 47 Cb 0.00 -3.79 0.13 0.00 -0.81 0.00 0.00 33.47 29.00 1x3e s TRP 47 CO 0.00 -2.29 0.57 0.15 -0.51 0.00 0.00 176.95 174.87 1x3e s LYS 48 N -5.68 0.51 0.24 4.98 1.02 -1.17 -4.91 119.74 114.72 1x3e s LYS 48 Ca 0.70 1.25 -0.31 0.00 0.02 0.00 0.00 55.97 57.63 1x3e s LYS 48 Cb -0.06 0.64 -0.13 0.00 -0.52 0.00 0.00 37.83 37.76 1x3e s LYS 48 CO 0.50 -0.29 1.42 -0.25 -0.92 0.00 0.00 175.35 175.81 1x3e n ASP 49 N 5.43 2.82 -4.59 2.83 10.43 -1.26 -2.49 116.55 129.72 1x3e n ASP 49 Ca -0.09 1.14 -0.26 0.00 2.57 0.00 0.00 54.79 58.15 1x3e n ASP 49 Cb 0.49 -1.44 0.12 0.00 1.84 0.00 0.00 41.12 42.13 1x3e n ASP 49 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1x3e s GLY 50 N 0.29 1.75 0.15 0.44 0.00 -0.29 -4.87 107.32 104.80 1x3e s GLY 50 Ca 0.68 -1.38 -0.32 0.00 0.00 0.00 0.00 44.72 43.69 1x3e s GLY 50 CO 0.50 -0.81 1.74 1.18 0.00 0.00 0.00 173.10 175.71 1x3e n GLU 51 N -3.10 2.61 -2.48 2.90 -0.58 -1.26 -4.53 120.64 114.19 1x3e n GLU 51 Ca 0.13 0.95 -0.35 0.00 -0.42 0.00 0.00 57.16 57.46 1x3e n GLU 51 Cb 0.60 -2.79 -0.03 0.00 -0.57 0.00 0.00 31.44 28.65 1x3e n GLU 51 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x3e s ALA 52 N 1.78 2.93 -0.15 0.62 0.00 -1.26 -4.49 121.76 121.19 1x3e s ALA 52 Ca 0.79 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.40 1x3e s ALA 52 Cb -0.55 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 1x3e s ALA 52 CO 0.36 -0.37 0.01 -1.17 0.00 0.00 0.00 175.76 174.60 1x3e s LEU 53 N -3.20 3.56 -0.27 0.00 2.96 -0.50 -4.94 118.68 116.29 1x3e s LEU 53 Ca 0.64 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1x3e s LEU 53 Cb -0.20 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.66 1x3e s LEU 53 CO 0.25 0.22 -0.04 -0.36 -1.32 0.00 0.00 176.35 175.09 1x3e s PHE 54 N 0.09 3.16 -0.21 5.38 0.40 -1.26 -0.71 117.98 124.84 1x3e s PHE 54 Ca 0.02 -1.74 -0.02 0.00 -0.60 0.00 0.00 56.93 54.59 1x3e s PHE 54 Cb -0.13 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1x3e s PHE 54 CO 0.02 -0.77 -0.10 -0.51 0.70 0.00 0.00 175.22 174.56 1x3e s LEU 55 N 1.28 2.66 0.12 -0.37 1.43 -0.45 -4.95 118.68 118.40 1x3e s LEU 55 Ca -0.03 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.23 1x3e s LEU 55 Cb -0.18 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 1x3e s LEU 55 CO -0.03 -0.03 1.31 -0.60 0.23 0.00 0.00 176.35 177.24 1x3e s ARG 56 N 1.40 4.37 -0.00 1.70 6.06 -1.26 -1.02 118.95 130.19 1x3e s ARG 56 Ca 0.05 1.98 0.08 0.00 -2.50 0.00 0.00 55.73 55.34 1x3e s ARG 56 Cb -0.14 -3.26 -0.02 0.00 0.06 0.00 0.00 34.95 31.58 1x3e s ARG 56 CO -0.07 -0.34 -0.25 0.00 -2.50 0.00 0.00 175.30 172.14 1x3e s ASN 58 N -0.76 3.30 -0.06 0.00 0.01 0.36 -2.14 114.94 115.64 1x3e s ASN 58 Ca 0.10 -0.59 -0.17 0.00 -0.71 0.00 0.00 52.86 51.50 1x3e s ASN 58 Cb -0.10 -0.33 0.03 0.00 0.41 0.00 0.00 41.25 41.26 1x3e s ASN 58 CO -0.00 0.25 0.39 -0.51 -1.51 0.00 0.00 177.10 175.72 1x3e s ILE 59 N -0.86 0.03 0.22 0.60 2.07 -0.79 -0.46 121.20 122.00 1x3e s ILE 59 Ca 0.13 -0.27 0.11 0.00 -1.41 0.00 0.00 60.65 59.20 1x3e s ILE 59 Cb -0.10 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1x3e s ILE 59 CO 0.03 -0.15 -0.17 0.26 -1.91 0.00 0.00 174.94 173.01 1x3e s TRP 60 N -0.84 2.44 0.00 3.50 0.52 -1.26 -1.54 118.94 121.76 1x3e s TRP 60 Ca -0.09 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 55.73 1x3e s TRP 60 Cb -0.04 -1.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.13 1x3e s TRP 60 CO 0.04 0.56 0.00 0.54 0.02 0.00 0.00 176.95 178.11 1x3e n ARG 61 N -0.12 0.00 -0.10 4.98 1.74 0.08 -2.52 116.66 120.72 1x3e n ARG 61 Ca -0.10 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 1x3e n ARG 61 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.99 1x3e n ARG 61 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x3e h GLU 62 N 0.00 0.47 -0.89 5.56 4.39 -1.97 -0.82 114.58 121.32 1x3e h GLU 62 Ca 0.00 -0.09 0.11 0.00 0.34 0.00 0.00 59.36 59.72 1x3e h GLU 62 Cb 0.00 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.51 1x3e h GLU 62 CO 0.00 0.50 0.57 0.00 -1.16 0.00 0.00 179.01 178.92 1x3e h ALA 63 N 0.95 1.68 -0.37 3.43 0.00 -1.94 0.45 119.26 123.46 1x3e h ALA 63 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1x3e h ALA 63 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x3e h ALA 63 CO -0.01 0.12 0.06 0.00 0.00 0.00 0.00 179.25 179.42 1x3e h ALA 64 N 1.57 0.49 -0.96 0.00 0.00 -0.88 -1.48 119.26 118.00 1x3e h ALA 64 Ca 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x3e h ALA 64 Cb 0.49 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1x3e h ALA 64 CO -0.19 0.20 0.64 0.93 0.00 0.00 0.00 179.25 180.83 1x3e h GLU 65 N 0.46 1.25 -0.47 0.00 5.08 -0.50 -0.45 114.58 119.94 1x3e h GLU 65 Ca 0.11 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1x3e h GLU 65 Cb 0.37 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1x3e h GLU 65 CO 0.01 0.83 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.82 1x3e h ASN 66 N 1.29 0.86 -0.30 1.42 2.35 -0.68 -1.49 115.58 119.03 1x3e h ASN 66 Ca 0.36 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1x3e h ASN 66 Cb -0.13 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 37.99 1x3e h ASN 66 CO -0.08 0.99 0.13 0.58 -1.65 0.00 0.00 177.43 177.40 1x3e h VAL 67 N 0.78 1.16 -0.25 2.81 2.07 -0.87 -2.28 116.25 119.68 1x3e h VAL 67 Ca 0.13 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1x3e h VAL 67 Cb 0.63 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1x3e h VAL 67 CO 0.04 0.17 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 1x3e h ALA 68 N 0.99 1.48 0.00 1.67 0.00 -0.71 -0.85 119.26 121.83 1x3e h ALA 68 Ca 0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1x3e h ALA 68 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x3e h ALA 68 CO -0.01 0.37 -0.41 1.49 0.00 0.00 0.00 179.25 180.69 1x3e h GLU 69 N 0.37 0.00 0.00 0.00 4.81 -1.12 -3.39 114.58 115.25 1x3e h GLU 69 Ca 0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1x3e h GLU 69 Cb 0.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1x3e h GLU 69 CO 0.01 0.41 -1.28 0.43 -0.73 0.00 0.00 179.01 177.85 1x3e n SER 70 N -3.35 3.84 -4.52 1.04 7.64 -0.87 -5.05 113.62 112.35 1x3e n SER 70 Ca 0.01 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.63 1x3e n SER 70 Cb 0.61 0.88 -0.10 0.00 -1.01 0.00 0.00 64.21 64.58 1x3e n SER 70 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x3e s LEU 71 N -3.93 2.80 0.31 -3.43 1.43 -0.37 -5.07 118.68 110.43 1x3e s LEU 71 Ca -0.02 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1x3e s LEU 71 Cb 0.02 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1x3e s LEU 71 CO 0.20 0.10 0.40 0.42 0.23 0.00 0.00 176.35 177.70 1x3e s THR 72 N -1.78 0.00 0.06 5.49 -4.23 -1.26 -4.46 115.64 109.46 1x3e s THR 72 Ca 0.24 -1.69 -0.38 0.00 -1.18 0.00 0.00 61.69 58.68 1x3e s THR 72 Cb -0.08 -2.55 -0.18 0.00 1.34 0.00 0.00 72.50 71.03 1x3e s THR 72 CO 0.14 0.00 1.23 -1.14 -0.54 0.00 0.00 174.62 174.30 1x3e n ARG 73 N -0.52 0.73 0.00 3.99 0.63 -1.24 -1.16 116.66 119.08 1x3e n ARG 73 Ca 0.02 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1x3e n ARG 73 Cb 0.62 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.69 1x3e n ARG 73 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x3e n GLY 74 N 2.13 2.56 3.67 5.14 0.00 0.11 -4.88 105.19 113.90 1x3e n GLY 74 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 1x3e n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3e n SER 75 N 0.00 3.15 -4.72 1.61 7.64 -0.31 -4.53 113.62 116.46 1x3e n SER 75 Ca 0.00 1.06 -0.42 0.00 1.01 0.00 0.00 58.87 60.52 1x3e n SER 75 Cb 0.00 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 61.76 1x3e n SER 75 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1x3e s ARG 76 N 1.64 4.58 0.06 1.43 3.52 -1.26 -1.22 118.95 127.71 1x3e s ARG 76 Ca 0.82 1.39 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 1x3e s ARG 76 Cb -0.69 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 1x3e s ARG 76 CO 0.41 0.02 -0.05 0.14 -0.81 0.00 0.00 175.30 175.02 1x3e s VAL 77 N 0.75 0.40 -0.11 7.11 -7.23 0.17 -1.26 120.40 120.22 1x3e s VAL 77 Ca 0.50 -1.63 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1x3e s VAL 77 Cb -0.21 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 1x3e s VAL 77 CO 0.28 -0.81 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.52 1x3e s ILE 78 N -3.15 3.32 -0.03 -0.62 1.01 -0.41 -1.56 121.20 119.76 1x3e s ILE 78 Ca 0.03 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1x3e s ILE 78 Cb 0.02 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1x3e s ILE 78 CO -0.06 0.54 -0.03 -0.69 0.00 0.00 0.00 174.94 174.70 1x3e s VAL 79 N -0.02 0.42 0.08 2.92 1.01 0.11 -1.72 120.40 123.21 1x3e s VAL 79 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1x3e s VAL 79 Cb -0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1x3e s VAL 79 CO 0.04 0.19 -0.19 0.42 0.00 0.00 0.00 175.10 175.55 1x3e s THR 80 N 0.80 2.73 -0.42 3.92 -4.23 -0.20 -0.03 115.64 118.22 1x3e s THR 80 Ca -0.10 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1x3e s THR 80 Cb -0.13 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1x3e s THR 80 CO -0.00 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 1x3e n GLY 81 N 1.22 -1.25 3.42 3.99 0.00 -0.79 -0.04 105.19 111.73 1x3e n GLY 81 Ca -0.16 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 1x3e n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3e s ARG 82 N -0.69 2.77 -0.03 1.61 3.00 0.12 -1.33 118.95 124.41 1x3e s ARG 82 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 55.73 54.71 1x3e s ARG 82 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 34.95 32.49 1x3e s ARG 82 CO 0.00 0.47 1.21 -0.51 0.00 0.00 0.00 175.30 176.47 1x3e s LEU 83 N -0.34 4.30 0.03 2.53 1.43 -0.42 -0.28 118.68 125.93 1x3e s LEU 83 Ca 0.03 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 55.05 1x3e s LEU 83 Cb -0.13 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1x3e s LEU 83 CO 0.02 -0.56 -0.14 -0.54 0.23 0.00 0.00 176.35 175.36 1x3e s LYS 84 N 1.97 0.98 -0.27 1.70 -0.14 0.70 -4.74 119.74 119.93 1x3e s LYS 84 Ca 0.57 -0.74 -0.14 0.00 -1.36 0.00 0.00 55.97 54.30 1x3e s LYS 84 Cb -0.26 -0.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.86 1x3e s LYS 84 CO 0.24 0.25 0.33 -1.14 -0.76 0.00 0.00 175.35 174.26 1x3e s GLN 85 N -1.05 3.99 -0.04 1.68 0.74 -1.26 0.16 119.66 123.89 1x3e s GLN 85 Ca 0.02 -0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.35 1x3e s GLN 85 Cb -0.08 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 1x3e s GLN 85 CO 0.01 -0.26 0.10 0.50 -0.55 0.00 0.00 175.29 175.09 1x3e s ARG 86 N 1.99 3.20 -0.02 1.67 3.52 -0.63 -4.95 118.95 123.73 1x3e s ARG 86 Ca 0.13 -0.38 -0.16 0.00 -0.13 0.00 0.00 55.73 55.19 1x3e s ARG 86 Cb -0.16 -2.96 -0.05 0.00 -1.56 0.00 0.00 34.95 30.22 1x3e s ARG 86 CO 0.10 0.68 0.43 -1.12 -0.81 0.00 0.00 175.30 174.59 1x3e s SER 87 N -1.55 6.80 0.06 -2.12 0.01 -1.26 -1.97 113.70 113.66 1x3e s SER 87 Ca 0.21 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.42 1x3e s SER 87 Cb -0.12 -2.27 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 1x3e s SER 87 CO 0.12 0.25 0.00 0.49 0.41 0.00 0.00 173.24 174.51 1x3e n PHE 88 N 2.25 0.13 -3.63 2.43 3.72 -1.03 -5.01 117.46 116.31 1x3e n PHE 88 Ca -0.12 -0.31 -0.20 0.00 -0.05 0.00 0.00 57.45 56.77 1x3e n PHE 88 Cb 0.52 -0.04 -0.16 0.00 -0.94 0.00 0.00 39.48 38.86 1x3e n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1x3e s GLU 89 N -2.22 0.04 0.60 -1.08 -6.30 -1.26 -3.82 118.70 104.66 1x3e s GLU 89 Ca 0.00 0.33 -0.13 0.00 -2.50 0.00 0.00 54.97 52.67 1x3e s GLU 89 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 34.13 33.29 1x3e s GLU 89 CO 0.00 -0.44 1.03 -0.08 0.02 0.00 0.00 175.26 175.79 1x3e s THR 90 N 2.24 4.38 -2.00 -1.70 -1.32 -0.62 -4.94 115.64 111.67 1x3e s THR 90 Ca 0.04 0.92 0.09 0.00 -1.21 0.00 0.00 61.69 61.53 1x3e s THR 90 Cb -0.13 -3.65 0.26 0.00 -1.51 0.00 0.00 72.50 67.46 1x3e s THR 90 CO -0.07 -0.87 0.99 0.54 -2.21 0.00 0.00 174.62 173.00 1x3e n ARG 91 N -2.42 0.49 -0.14 7.08 5.12 -1.26 -1.94 116.66 123.60 1x3e n ARG 91 Ca 0.07 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.04 1x3e n ARG 91 Cb 0.54 -1.29 0.11 0.00 -1.16 0.00 0.00 32.46 30.66 1x3e n ARG 91 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1x3e n GLU 92 N -0.79 2.58 0.00 5.56 4.71 -1.26 -5.02 120.64 126.42 1x3e n GLU 92 Ca 0.07 -2.10 0.00 0.00 -0.01 0.00 0.00 57.16 55.12 1x3e n GLU 92 Cb 0.03 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1x3e n GLU 92 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x3e n GLY 93 N -0.44 2.99 3.81 0.62 0.00 -0.82 -5.06 105.19 106.29 1x3e n GLY 93 Ca 0.10 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1x3e n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x3e s GLU 94 N 0.00 3.40 -0.41 1.61 4.04 -1.26 -4.73 118.70 121.34 1x3e s GLU 94 Ca 0.00 1.17 -0.13 0.00 0.04 0.00 0.00 54.97 56.05 1x3e s GLU 94 Cb 0.00 -2.05 0.04 0.00 0.02 0.00 0.00 34.13 32.15 1x3e s GLU 94 CO 0.00 -0.74 0.29 0.15 -1.84 0.00 0.00 175.26 173.11 1x3e s LYS 95 N -4.09 2.87 -0.19 -4.83 -0.14 -1.26 -1.59 119.74 110.50 1x3e s LYS 95 Ca 0.63 -1.18 -0.08 0.00 -1.36 0.00 0.00 55.97 53.98 1x3e s LYS 95 Cb -0.15 -3.91 -0.04 0.00 -1.68 0.00 0.00 37.83 32.05 1x3e s LYS 95 CO 0.36 -0.83 0.07 1.03 -0.76 0.00 0.00 175.35 175.23 1x3e s ARG 96 N 1.59 3.96 0.42 1.68 1.81 -1.25 -4.91 118.95 122.26 1x3e s ARG 96 Ca 0.03 -0.35 -0.05 0.00 -1.72 0.00 0.00 55.73 53.65 1x3e s ARG 96 Cb -0.21 -3.25 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 1x3e s ARG 96 CO 0.07 0.22 0.71 0.95 -0.68 0.00 0.00 175.30 176.58 1x3e s THR 97 N 0.51 4.94 -0.02 0.02 -4.23 -1.26 -2.47 115.64 113.12 1x3e s THR 97 Ca 0.04 0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1x3e s THR 97 Cb -0.13 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1x3e s THR 97 CO 0.01 -0.68 0.10 0.54 -0.54 0.00 0.00 174.62 174.05 1x3e s VAL 98 N -2.52 0.04 -0.09 2.29 0.11 -0.83 -5.00 120.40 114.40 1x3e s VAL 98 Ca 0.46 -0.35 -0.23 0.00 -2.93 0.00 0.00 61.98 58.93 1x3e s VAL 98 Cb -0.10 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1x3e s VAL 98 CO 0.39 -0.19 0.70 -0.69 -3.33 0.00 0.00 175.10 171.98 1x3e s VAL 99 N -0.61 5.04 0.25 2.04 1.01 -1.26 -1.60 120.40 125.27 1x3e s VAL 99 Ca -0.07 1.42 0.05 0.00 0.00 0.00 0.00 61.98 63.38 1x3e s VAL 99 Cb -0.04 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1x3e s VAL 99 CO 0.00 0.22 -0.02 -1.61 0.00 0.00 0.00 175.10 173.70 1x3e s GLU 100 N 1.01 1.43 -0.28 2.72 2.02 0.12 -4.57 118.70 121.15 1x3e s GLU 100 Ca 0.36 -1.73 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 1x3e s GLU 100 Cb -0.17 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 1x3e s GLU 100 CO 0.17 -0.05 0.16 0.08 0.02 0.00 0.00 175.26 175.63 1x3e s VAL 101 N -3.27 4.97 -0.55 2.63 1.01 -0.06 -0.22 120.40 124.93 1x3e s VAL 101 Ca 0.29 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 1x3e s VAL 101 Cb 0.05 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1x3e s VAL 101 CO 0.10 0.23 1.14 -0.70 0.00 0.00 0.00 175.10 175.86 1x3e s GLU 102 N 1.70 3.54 0.06 2.72 2.56 0.61 -0.49 118.70 129.40 1x3e s GLU 102 Ca 0.06 0.25 -0.31 0.00 0.00 0.00 0.00 54.97 54.98 1x3e s GLU 102 Cb -0.16 -3.99 -0.06 0.00 2.00 0.00 0.00 34.13 31.92 1x3e s GLU 102 CO 0.09 -1.57 1.20 0.08 -0.56 0.00 0.00 175.26 174.49 1x3e s VAL 103 N 4.66 4.04 -0.17 3.70 1.01 0.39 -0.70 120.40 133.33 1x3e s VAL 103 Ca 0.42 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.73 1x3e s VAL 103 Cb -0.08 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1x3e s VAL 103 CO 0.26 0.12 -0.03 0.47 0.00 0.00 0.00 175.10 175.91 1x3e n ASP 104 N 3.91 1.83 -4.00 3.32 8.00 0.94 -4.83 116.55 125.72 1x3e n ASP 104 Ca 0.09 0.55 -0.12 0.00 0.71 0.00 0.00 54.79 56.03 1x3e n ASP 104 Cb 0.46 -0.91 -0.12 0.00 -0.02 0.00 0.00 41.12 40.54 1x3e n ASP 104 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x3e s GLU 105 N -2.29 0.38 -0.04 -1.24 0.41 -0.90 -5.02 118.70 110.01 1x3e s GLU 105 Ca -0.20 -0.57 -0.14 0.00 -0.41 0.00 0.00 54.97 53.65 1x3e s GLU 105 Cb 0.04 -0.13 0.02 0.00 -1.78 0.00 0.00 34.13 32.28 1x3e s GLU 105 CO 0.36 0.01 0.31 -1.50 -0.49 0.00 0.00 175.26 173.95 1x3e s ILE 106 N -1.14 0.05 0.08 -1.63 2.07 -1.26 -1.03 121.20 118.34 1x3e s ILE 106 Ca -0.10 -0.37 -0.23 0.00 -1.41 0.00 0.00 60.65 58.53 1x3e s ILE 106 Cb -0.08 -0.57 0.06 0.00 0.13 0.00 0.00 42.46 42.00 1x3e s ILE 106 CO -0.00 -0.20 0.57 -0.83 -1.91 0.00 0.00 174.94 172.56 1x3e s GLY 107 N -0.97 -0.51 0.08 1.50 0.00 -0.70 -5.01 107.32 101.71 1x3e s GLY 107 Ca -0.10 0.61 -0.31 0.00 0.00 0.00 0.00 44.72 44.92 1x3e s GLY 107 CO 0.03 0.30 1.26 2.56 0.00 0.00 0.00 173.10 177.25 1x3e s PRO 108 N -2.86 4.40 0.38 2.90 0.04 -1.26 -1.28 135.00 137.31 1x3e s PRO 108 Ca -0.03 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 1x3e s PRO 108 Cb -0.00 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1x3e s PRO 108 CO -0.05 -0.31 1.32 0.45 0.04 0.00 0.00 177.00 178.45 1x3e s SER 109 N 1.03 6.43 -0.02 6.66 0.15 -0.39 -4.85 113.70 122.71 1x3e s SER 109 Ca 0.60 2.70 0.14 0.00 0.70 0.00 0.00 55.95 60.10 1x3e s SER 109 Cb -0.32 -2.64 0.44 0.00 -1.71 0.00 0.00 66.02 61.79 1x3e s SER 109 CO 0.30 -0.77 1.35 0.18 1.20 0.00 0.00 173.24 175.50 1x3e n LEU 110 N 0.33 2.75 0.22 3.45 4.77 -1.26 -4.26 117.00 122.99 1x3e n LEU 110 Ca 0.02 -1.38 -0.15 0.00 -0.03 0.00 0.00 56.01 54.47 1x3e n LEU 110 Cb 0.43 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1x3e n LEU 110 CO 0.57 0.64 0.64 -0.09 -1.33 0.00 0.00 177.39 177.81 1x3e h ARG 111 N 2.82 -0.69 -0.08 3.23 9.65 -1.97 -3.28 114.38 124.06 1x3e h ARG 111 Ca 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1x3e h ARG 111 Cb 0.73 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1x3e h ARG 111 CO 0.03 -0.46 0.00 0.66 2.80 0.00 0.00 179.97 183.00 1x3e n TYR 112 N -5.45 0.14 -3.92 2.20 4.02 -1.26 -5.04 117.16 107.84 1x3e n TYR 112 Ca -0.10 -0.62 -0.09 0.00 -0.01 0.00 0.00 57.90 57.08 1x3e n TYR 112 Cb 0.36 -0.08 -0.09 0.00 -0.02 0.00 0.00 39.34 39.51 1x3e n TYR 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x3e s ALA 113 N -1.47 -0.08 0.36 -0.72 0.00 -1.24 -5.17 121.76 113.45 1x3e s ALA 113 Ca 0.13 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.58 1x3e s ALA 113 Cb 0.10 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1x3e s ALA 113 CO 0.04 -0.36 0.33 0.95 0.00 0.00 0.00 175.76 176.72 1x3e s THR 114 N -2.95 3.24 -0.08 0.00 -4.23 -1.26 -4.28 115.64 106.08 1x3e s THR 114 Ca -0.02 -1.34 -0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1x3e s THR 114 Cb 0.01 -3.12 0.02 0.00 1.34 0.00 0.00 72.50 70.75 1x3e s THR 114 CO -0.06 -0.11 0.21 0.00 -0.54 0.00 0.00 174.62 174.12 1x3e s ALA 115 N -2.36 -0.52 -0.39 3.99 0.00 -1.26 -5.04 121.76 116.18 1x3e s ALA 115 Ca 0.44 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 1x3e s ALA 115 Cb -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1x3e s ALA 115 CO 0.27 -0.11 0.48 0.15 0.00 0.00 0.00 175.76 176.55 1x3e s LYS 116 N 0.26 3.37 -0.09 0.00 3.01 -1.26 -5.06 119.74 119.97 1x3e s LYS 116 Ca -0.01 -0.46 -0.14 0.00 -1.01 0.00 0.00 55.97 54.35 1x3e s LYS 116 Cb -0.03 -3.89 -0.05 0.00 -1.01 0.00 0.00 37.83 32.86 1x3e s LYS 116 CO -0.01 -0.75 0.35 0.08 0.51 0.00 0.00 175.35 175.54 1x3e s VAL 117 N 2.29 5.20 -0.22 3.17 1.01 -1.26 -5.06 120.40 125.53 1x3e s VAL 117 Ca 0.16 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1x3e s VAL 117 Cb -0.16 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1x3e s VAL 117 CO 0.14 0.47 -0.04 0.20 0.00 0.00 0.00 175.10 175.87 1x3e s ASN 118 N -0.23 3.66 0.18 3.32 0.01 -1.26 -5.13 114.94 115.48 1x3e s ASN 118 Ca 0.21 -1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 50.97 1x3e s ASN 118 Cb -0.15 -1.08 -0.07 0.00 0.41 0.00 0.00 41.25 40.35 1x3e s ASN 118 CO 0.09 -0.24 1.02 -0.54 -1.51 0.00 0.00 177.10 175.92 1x3e s LYS 119 N 1.47 4.69 0.00 -0.60 1.02 -1.26 -5.23 119.74 119.83 1x3e s LYS 119 Ca -0.05 1.59 0.13 0.00 0.02 0.00 0.00 55.97 57.67 1x3e s LYS 119 Cb -0.18 -3.30 0.80 0.00 -0.52 0.00 0.00 37.83 34.62 1x3e s LYS 119 CO -0.07 0.23 1.23 0.00 -0.92 0.00 0.00 175.35 175.82