#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gby h ALA 0 N 0.00 1.92 -0.12 5.41 0.00 -2.05 -1.98 119.26 122.44 3gby h ALA 0 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gby h ALA 0 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gby h ALA 0 CO 0.00 -0.30 0.00 0.43 0.00 0.00 0.00 179.25 179.38 3gby n SER 1 N -3.98 2.91 -4.71 0.00 7.64 -1.26 -4.68 113.62 109.55 3gby n SER 1 Ca 0.02 -1.94 -0.43 0.00 1.01 0.00 0.00 58.87 57.54 3gby n SER 1 Cb 0.33 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 3gby n SER 1 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3gby n VAL 2 N 1.23 1.78 -4.21 0.44 0.31 -0.75 -4.86 118.33 112.27 3gby n VAL 2 Ca 0.16 -0.44 -0.23 0.00 -0.01 0.00 0.00 64.34 63.81 3gby n VAL 2 Cb 0.57 -1.63 -0.06 0.00 -0.91 0.00 0.00 33.84 31.80 3gby n VAL 2 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gby s THR 3 N -0.87 3.87 0.43 2.52 -4.23 -1.26 -1.07 115.64 115.04 3gby s THR 3 Ca 0.58 -1.64 0.19 0.00 -1.18 0.00 0.00 61.69 59.63 3gby s THR 3 Cb -0.56 -3.06 0.39 0.00 1.34 0.00 0.00 72.50 70.61 3gby s THR 3 CO 0.60 -0.32 1.86 -0.26 -0.54 0.00 0.00 174.62 175.96 3gby h PHE 4 N 1.87 0.48 -1.01 3.99 0.04 -1.04 -1.82 116.94 119.46 3gby h PHE 4 Ca -0.46 0.01 0.24 0.00 2.80 0.00 0.00 57.97 60.56 3gby h PHE 4 Cb 1.24 -0.15 -0.09 0.00 2.20 0.00 0.00 35.95 39.15 3gby h PHE 4 CO 0.63 0.13 0.64 0.66 -0.60 0.00 0.00 178.31 179.76 3gby h SER 5 N 0.36 0.52 -0.94 2.17 4.64 -1.28 -1.73 113.55 117.29 3gby h SER 5 Ca 0.46 0.08 0.20 0.00 -0.47 0.00 0.00 61.79 62.07 3gby h SER 5 Cb 1.21 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 3gby h SER 5 CO -0.16 0.14 0.61 0.22 -0.87 0.00 0.00 176.83 176.77 3gby h TYR 6 N 0.48 0.69 -0.42 4.77 3.20 -1.61 -1.88 116.97 122.19 3gby h TYR 6 Ca 0.57 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.46 3gby h TYR 6 Cb 1.31 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3gby h TYR 6 CO -0.00 0.17 0.00 1.28 -1.64 0.00 0.00 178.16 177.96 3gby n LEU 7 N -4.58 3.12 -4.75 2.82 4.77 -0.66 -5.02 117.00 112.70 3gby n LEU 7 Ca 0.21 -1.98 -0.41 0.00 -0.03 0.00 0.00 56.01 53.80 3gby n LEU 7 Cb 0.68 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3gby n LEU 7 CO 0.28 0.78 1.26 0.00 -1.33 0.00 0.00 177.39 178.38 3gby n ALA 8 N 0.76 2.64 -2.61 -1.18 0.00 -0.71 -4.65 120.51 114.77 3gby n ALA 8 Ca 0.14 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.70 3gby n ALA 8 Cb 0.47 -2.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.28 3gby n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gby s GLU 9 N -0.57 1.48 0.00 0.00 2.02 0.27 -4.93 118.70 116.98 3gby s GLU 9 Ca 0.63 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 55.08 3gby s GLU 9 Cb -0.49 -1.39 -0.07 0.00 0.10 0.00 0.00 34.13 32.29 3gby s GLU 9 CO 0.49 0.33 0.29 0.25 0.02 0.00 0.00 175.26 176.65 3gby n THR 10 N 2.79 0.00 -1.70 3.63 -2.24 -1.26 -1.31 114.28 114.19 3gby n THR 10 Ca -0.16 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 3gby n THR 10 Cb 0.54 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 3gby n THR 10 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gby n ASP 11 N -1.09 5.91 -3.80 3.42 2.03 -1.26 -4.83 116.55 116.93 3gby n ASP 11 Ca 0.01 -2.81 -0.13 0.00 0.52 0.00 0.00 54.79 52.38 3gby n ASP 11 Cb 0.10 -1.58 -0.11 0.00 -0.72 0.00 0.00 41.12 38.81 3gby n ASP 11 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3gby s TYR 12 N 2.16 -0.22 0.28 -0.67 5.04 -1.26 -5.12 117.35 117.56 3gby s TYR 12 Ca 0.54 0.52 -0.30 0.00 -2.44 0.00 0.00 57.07 55.38 3gby s TYR 12 Cb 0.15 0.07 -0.13 0.00 0.35 0.00 0.00 41.96 42.41 3gby s TYR 12 CO -0.07 -0.17 1.42 -2.30 -1.34 0.00 0.00 175.55 173.10 3gby n PRO 13 N 2.64 2.21 -3.80 4.97 -0.02 -1.26 -5.00 135.00 134.75 3gby n PRO 13 Ca -0.15 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3gby n PRO 13 Cb 0.58 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 3gby n PRO 13 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gby s VAL 14 N -0.31 -0.01 0.38 -1.45 0.11 -1.26 -4.05 120.40 113.82 3gby s VAL 14 Ca 0.64 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.80 3gby s VAL 14 Cb -0.59 -0.26 -0.07 0.00 -1.53 0.00 0.00 36.38 33.92 3gby s VAL 14 CO 0.53 0.01 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.92 3gby s PHE 15 N 0.28 2.47 -0.05 1.54 0.08 -0.71 -5.02 117.98 116.57 3gby s PHE 15 Ca -0.02 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 56.47 3gby s PHE 15 Cb -0.03 -1.62 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 3gby s PHE 15 CO -0.01 0.50 -0.15 0.99 -0.10 0.00 0.00 175.22 176.45 3gby s THR 16 N -2.67 2.97 0.22 0.64 2.01 -1.26 -0.51 115.64 117.03 3gby s THR 16 Ca 0.34 -0.75 -0.32 0.00 0.31 0.00 0.00 61.69 61.27 3gby s THR 16 Cb 0.07 -2.16 -0.13 0.00 0.01 0.00 0.00 72.50 70.29 3gby s THR 16 CO 0.17 0.59 1.51 -0.11 -0.69 0.00 0.00 174.62 176.09 3gby n LEU 17 N 2.40 3.31 0.00 4.42 7.94 0.87 -0.69 117.00 135.26 3gby n LEU 17 Ca -0.17 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 3gby n LEU 17 Cb 0.52 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.01 3gby n LEU 17 CO 0.25 -0.30 0.00 0.61 -1.11 0.00 0.00 177.39 176.85 3gby n GLY 18 N 2.72 1.22 3.91 -3.96 0.00 0.13 -4.96 105.19 104.26 3gby n GLY 18 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3gby n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gby s GLY 19 N -1.80 1.70 -0.19 -0.02 0.00 0.14 -4.34 107.32 102.81 3gby s GLY 19 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 3gby s GLY 19 CO 0.00 -0.32 2.01 -1.35 0.00 0.00 0.00 173.10 173.44 3gby s SER 20 N -4.75 5.86 0.33 1.64 1.04 -1.26 -1.34 113.70 115.22 3gby s SER 20 Ca 0.69 1.90 0.10 0.00 0.48 0.00 0.00 55.95 59.12 3gby s SER 20 Cb -0.07 -2.52 0.57 0.00 0.10 0.00 0.00 66.02 64.10 3gby s SER 20 CO 0.51 -1.64 1.75 0.74 0.98 0.00 0.00 173.24 175.59 3gby h THR 21 N 6.65 1.30 -0.21 2.02 2.02 -1.81 -1.16 112.91 121.73 3gby h THR 21 Ca -0.40 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 3gby h THR 21 Cb 1.21 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 3gby h THR 21 CO 0.97 0.42 0.06 0.00 0.37 0.00 0.00 175.52 177.34 3gby h ALA 22 N 1.50 0.27 -0.18 6.16 0.00 -1.79 0.51 119.26 125.73 3gby h ALA 22 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gby h ALA 22 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3gby h ALA 22 CO 0.06 -0.09 0.03 0.22 0.00 0.00 0.00 179.25 179.46 3gby h ASP 23 N 0.15 -0.01 0.04 0.00 3.58 -1.88 -1.68 116.42 116.63 3gby h ASP 23 Ca 0.07 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.55 3gby h ASP 23 Cb 0.25 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3gby h ASP 23 CO -0.00 0.02 -0.07 0.00 -2.88 0.00 0.00 179.24 176.31 3gby h ALA 24 N 1.13 -0.11 -0.38 -0.78 0.00 -0.96 -0.83 119.26 117.33 3gby h ALA 24 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gby h ALA 24 Cb 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3gby h ALA 24 CO -0.11 -0.58 0.23 0.00 0.00 0.00 0.00 179.25 178.79 3gby h ALA 25 N 0.80 0.48 -0.39 0.00 0.00 -0.80 -1.15 119.26 118.20 3gby h ALA 25 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gby h ALA 25 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3gby h ALA 25 CO -0.04 -0.10 0.16 -0.09 0.00 0.00 0.00 179.25 179.17 3gby h ARG 26 N 0.47 0.32 -0.27 0.00 2.43 -1.10 -1.46 114.38 114.77 3gby h ARG 26 Ca 0.15 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3gby h ARG 26 Cb -0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3gby h ARG 26 CO -0.06 0.21 0.11 -0.09 -1.51 0.00 0.00 179.97 178.63 3gby h ARG 27 N 0.33 0.40 0.19 0.20 2.43 -0.86 0.63 114.38 117.70 3gby h ARG 27 Ca 0.18 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3gby h ARG 27 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3gby h ARG 27 CO -0.16 0.41 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.49 3gby h LEU 28 N 0.29 -0.40 -1.29 3.80 3.38 -1.16 -1.82 115.31 118.12 3gby h LEU 28 Ca 0.09 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3gby h LEU 28 Cb 0.16 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3gby h LEU 28 CO -0.01 -0.24 0.16 0.00 0.09 0.00 0.00 178.44 178.44 3gby h ALA 29 N 0.42 1.44 0.00 1.53 0.00 -1.13 -2.59 119.26 118.92 3gby h ALA 29 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gby h ALA 29 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gby h ALA 29 CO -0.02 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3gby h ALA 30 N 1.54 1.00 -0.01 0.00 0.00 -0.60 -3.31 119.26 117.87 3gby h ALA 30 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gby h ALA 30 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gby h ALA 30 CO -0.01 0.00 -0.31 -1.13 0.00 0.00 0.00 179.25 177.80 3gby n SER 31 N -3.03 1.82 -0.25 0.00 3.41 -0.71 -4.97 113.62 109.90 3gby n SER 31 Ca 0.03 -1.41 -0.03 0.00 -0.26 0.00 0.00 58.87 57.20 3gby n SER 31 Cb 0.47 0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 64.80 3gby n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gby n GLY 32 N 1.17 0.61 3.48 5.00 0.00 -1.09 -5.03 105.19 109.33 3gby n GLY 32 Ca 0.08 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 3gby n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gby n ALA 34 N 3.25 2.98 -3.41 0.00 0.00 -1.26 -4.37 120.51 117.70 3gby n ALA 34 Ca -0.18 -0.24 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 3gby n ALA 34 Cb 0.53 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 3gby n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gby s ALA 36 N -2.32 -1.37 0.54 0.00 0.00 -0.45 -4.96 121.76 113.19 3gby s ALA 36 Ca -0.06 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3gby s ALA 36 Cb -0.01 0.39 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 3gby s ALA 36 CO -0.00 -0.51 1.12 -1.25 0.00 0.00 0.00 175.76 175.12 3gby s PRO 37 N -2.44 3.39 -0.08 0.00 0.04 -1.26 -0.67 135.00 133.98 3gby s PRO 37 Ca -0.05 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.61 3gby s PRO 37 Cb -0.01 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3gby s PRO 37 CO -0.02 -0.81 -0.19 0.08 0.04 0.00 0.00 177.00 176.10 3gby s VAL 38 N -1.80 1.68 0.21 -0.36 1.01 0.34 -1.74 120.40 119.74 3gby s VAL 38 Ca 0.72 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.97 3gby s VAL 38 Cb -0.23 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3gby s VAL 38 CO 0.26 0.48 -0.01 -0.76 0.00 0.00 0.00 175.10 175.07 3gby s LEU 39 N 0.35 3.25 -0.30 3.92 1.43 0.34 -1.24 118.68 126.43 3gby s LEU 39 Ca -0.14 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 3gby s LEU 39 Cb -0.16 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.27 3gby s LEU 39 CO 0.06 0.06 -0.02 -0.62 0.23 0.00 0.00 176.35 176.06 3gby s ASP 40 N -3.18 4.68 1.86 2.29 2.15 0.04 -0.09 116.67 124.42 3gby s ASP 40 Ca 0.28 -1.67 0.00 0.00 0.43 0.00 0.00 52.55 51.59 3gby s ASP 40 Cb -0.08 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 3gby s ASP 40 CO 0.19 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 3gby n GLY 41 N 4.41 3.67 0.04 2.66 0.00 -1.26 -1.64 105.19 113.07 3gby n GLY 41 Ca -0.07 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3gby n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gby n GLU 42 N 13.73 0.16 -2.88 1.61 1.02 -1.26 -4.92 120.64 128.09 3gby n GLU 42 Ca 0.00 0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 3gby n GLU 42 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 29.78 3gby n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3gby s ARG 43 N -3.09 4.40 0.11 3.49 3.52 -0.65 -0.64 118.95 126.10 3gby s ARG 43 Ca 0.09 1.09 -0.31 0.00 -0.13 0.00 0.00 55.73 56.47 3gby s ARG 43 Cb 0.15 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 3gby s ARG 43 CO 0.69 -0.16 1.62 -0.47 -0.81 0.00 0.00 175.30 176.17 3gby s TYR 44 N 1.53 2.69 -0.16 5.12 5.04 -0.74 -0.78 117.35 130.05 3gby s TYR 44 Ca 0.42 0.45 0.07 0.00 -2.44 0.00 0.00 57.07 55.57 3gby s TYR 44 Cb -0.18 -3.95 -0.15 0.00 0.35 0.00 0.00 41.96 38.04 3gby s TYR 44 CO 0.18 -3.68 -0.05 1.28 -1.34 0.00 0.00 175.55 171.94 3gby n LEU 45 N 4.91 1.41 0.00 6.97 4.77 -0.37 -4.90 117.00 129.79 3gby n LEU 45 Ca 0.15 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3gby n LEU 45 Cb 0.40 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3gby n LEU 45 CO 0.62 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 3gby n GLY 46 N 2.38 -0.56 3.63 -0.72 0.00 -1.20 -4.55 105.19 104.17 3gby n GLY 46 Ca -0.27 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3gby n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gby s VAL 48 N -0.02 0.00 -0.08 1.61 0.11 0.15 -0.50 120.40 121.66 3gby s VAL 48 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3gby s VAL 48 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3gby s VAL 48 CO 0.00 0.00 -0.10 -1.00 -3.33 0.00 0.00 175.10 170.67 3gby s HIS 49 N 0.45 2.84 0.28 1.54 3.76 -1.26 -1.34 115.29 121.55 3gby s HIS 49 Ca -0.00 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 3gby s HIS 49 Cb -0.05 -1.74 0.46 0.00 1.11 0.00 0.00 32.58 32.36 3gby s HIS 49 CO -0.02 0.13 1.88 1.25 -0.85 0.00 0.00 174.74 177.13 3gby h LEU 50 N 5.74 1.00 -1.08 0.89 5.85 -1.38 -0.40 115.31 125.93 3gby h LEU 50 Ca -0.41 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3gby h LEU 50 Cb 1.18 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 3gby h LEU 50 CO 0.54 0.61 0.62 0.77 -0.34 0.00 0.00 178.44 180.63 3gby h SER 51 N 1.11 0.93 -0.39 1.25 4.64 -1.96 -1.32 113.55 117.82 3gby h SER 51 Ca 0.44 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.65 3gby h SER 51 Cb 0.25 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3gby h SER 51 CO -0.19 0.56 -0.26 -0.09 -0.87 0.00 0.00 176.83 175.98 3gby h ARG 52 N 1.04 0.90 -0.11 4.77 9.65 -1.48 -1.50 114.38 127.65 3gby h ARG 52 Ca 0.43 -0.40 -0.08 0.00 -1.10 0.00 0.00 59.98 58.83 3gby h ARG 52 Cb 0.30 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 3gby h ARG 52 CO -0.19 1.05 -0.29 -0.07 2.80 0.00 0.00 179.97 183.28 3gby h LEU 53 N 0.77 0.20 -1.68 3.80 3.38 -0.73 -2.93 115.31 118.12 3gby h LEU 53 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gby h LEU 53 Cb 0.82 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3gby h LEU 53 CO 0.07 0.49 -0.03 0.18 0.09 0.00 0.00 178.44 179.24 3gby n LEU 54 N -4.14 2.65 -4.71 1.67 4.77 -0.67 -4.78 117.00 111.78 3gby n LEU 54 Ca -0.01 -0.89 -0.42 0.00 -0.03 0.00 0.00 56.01 54.66 3gby n LEU 54 Cb 0.38 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 3gby n LEU 54 CO 0.40 0.44 1.32 -0.70 -1.33 0.00 0.00 177.39 177.52 3gby s GLU 55 N -2.03 4.17 0.00 3.23 2.12 -0.57 -3.02 118.70 122.60 3gby s GLU 55 Ca 0.29 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.09 3gby s GLU 55 Cb 0.20 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3gby s GLU 55 CO 0.32 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 3gby n GLY 56 N 3.92 3.12 3.88 -1.50 0.00 -1.26 -5.00 105.19 108.35 3gby n GLY 56 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3gby n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gby s ARG 57 N -0.36 3.12 0.02 1.61 1.70 -1.17 -5.04 118.95 118.84 3gby s ARG 57 Ca 0.00 -0.93 0.22 0.00 -0.47 0.00 0.00 55.73 54.55 3gby s ARG 57 Cb 0.00 -2.69 -0.19 0.00 -0.57 0.00 0.00 34.95 31.50 3gby s ARG 57 CO 0.00 0.42 0.75 1.17 -1.08 0.00 0.00 175.30 176.56 3gby n LYS 58 N -1.22 0.45 0.00 3.89 4.81 -1.26 -5.00 118.16 119.84 3gby n LYS 58 Ca -0.08 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3gby n LYS 58 Cb 0.57 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.05 3gby n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gby n GLY 59 N 1.32 5.73 3.89 3.14 0.00 -1.26 -5.14 105.19 112.87 3gby n GLY 59 Ca -0.01 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 3gby n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gby s TRP 60 N 1.57 3.39 0.31 1.61 0.52 -1.26 -4.95 118.94 120.13 3gby s TRP 60 Ca 0.00 0.11 -0.27 0.00 0.02 0.00 0.00 56.10 55.97 3gby s TRP 60 Cb 0.00 -1.65 -0.14 0.00 -1.15 0.00 0.00 33.47 30.53 3gby s TRP 60 CO 0.00 0.53 0.83 -2.30 0.02 0.00 0.00 176.95 176.04 3gby n PRO 61 N -0.23 0.96 -2.34 4.98 -0.02 -1.26 -4.98 135.00 132.11 3gby n PRO 61 Ca -0.07 0.34 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 3gby n PRO 61 Cb 0.53 -1.64 0.06 0.00 -0.02 0.00 0.00 33.50 32.43 3gby n PRO 61 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3gby s THR 62 N -1.14 2.39 0.54 3.45 -1.32 -1.26 -4.51 115.64 113.78 3gby s THR 62 Ca 0.61 -0.40 0.25 0.00 -1.21 0.00 0.00 61.69 60.94 3gby s THR 62 Cb -0.71 -2.99 0.38 0.00 -1.51 0.00 0.00 72.50 67.67 3gby s THR 62 CO 0.59 0.00 2.01 1.62 -2.21 0.00 0.00 174.62 176.63 3gby h VAL 63 N -0.40 0.71 0.00 5.08 3.04 -2.00 -2.42 116.25 120.25 3gby h VAL 63 Ca -0.43 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.18 3gby h VAL 63 Cb 1.31 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 3gby h VAL 63 CO 0.57 0.00 -0.34 0.11 -1.01 0.00 0.00 177.57 176.90 3gby h LYS 64 N 0.00 0.00 -6.54 4.17 1.57 -2.02 -3.46 116.57 110.29 3gby h LYS 64 Ca 0.21 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.46 3gby h LYS 64 Cb 0.89 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.22 3gby h LYS 64 CO -0.00 0.34 0.73 -1.21 -0.57 0.00 0.00 179.45 178.74 3gby s GLU 65 N -3.41 4.32 -0.02 3.15 8.01 -0.91 -5.01 118.70 124.83 3gby s GLU 65 Ca 0.02 2.07 0.06 0.00 0.01 0.00 0.00 54.97 57.12 3gby s GLU 65 Cb 0.09 -3.26 -0.03 0.00 -4.31 0.00 0.00 34.13 26.62 3gby s GLU 65 CO 0.68 -0.44 -0.18 -1.59 0.01 0.00 0.00 175.26 173.75 3gby s LYS 66 N 1.16 2.29 -0.75 1.61 -2.85 -1.26 -2.60 119.74 117.35 3gby s LYS 66 Ca 0.64 -0.83 -0.26 0.00 -1.00 0.00 0.00 55.97 54.53 3gby s LYS 66 Cb -0.36 -2.25 -0.02 0.00 -2.06 0.00 0.00 37.83 33.14 3gby s LYS 66 CO 0.30 0.59 1.80 -0.51 0.10 0.00 0.00 175.35 177.62 3gby s LEU 67 N -0.92 3.25 0.61 2.77 1.43 -0.45 -4.85 118.68 120.52 3gby s LEU 67 Ca 0.12 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3gby s LEU 67 Cb -0.10 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.61 3gby s LEU 67 CO 0.02 -2.38 0.87 -0.83 0.23 0.00 0.00 176.35 174.26 3gby s GLY 68 N 7.39 1.73 0.30 -3.19 0.00 -1.26 0.22 107.32 112.51 3gby s GLY 68 Ca 0.63 -1.09 0.12 0.00 0.00 0.00 0.00 44.72 44.38 3gby s GLY 68 CO 0.11 -0.76 1.64 0.83 0.00 0.00 0.00 173.10 174.92 3gby h GLU 69 N -0.20 0.00 -0.01 2.90 5.08 -1.98 -2.93 114.58 117.44 3gby h GLU 69 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3gby h GLU 69 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3gby h GLU 69 CO 0.57 0.56 0.05 1.05 -1.00 0.00 0.00 179.01 180.24 3gby h GLU 70 N 0.00 0.00 -0.00 2.33 9.09 -2.00 -1.79 114.58 122.21 3gby h GLU 70 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3gby h GLU 70 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 3gby h GLU 70 CO 0.07 0.00 -0.12 1.28 0.05 0.00 0.00 179.01 180.30 3gby n LEU 71 N -3.12 0.37 -4.89 3.06 4.77 -1.11 -4.93 117.00 111.16 3gby n LEU 71 Ca -0.03 0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.70 3gby n LEU 71 Cb 0.12 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3gby n LEU 71 CO 0.20 0.07 -0.11 -0.76 -1.33 0.00 0.00 177.39 175.46 3gby s LEU 72 N -2.57 4.37 -0.39 2.23 1.43 -0.68 -4.64 118.68 118.44 3gby s LEU 72 Ca 0.26 0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.64 3gby s LEU 72 Cb 0.20 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3gby s LEU 72 CO 0.50 0.26 0.54 -1.61 0.23 0.00 0.00 176.35 176.27 3gby s GLU 73 N -1.79 3.45 -1.26 1.70 2.02 -1.26 -4.99 118.70 116.56 3gby s GLU 73 Ca 0.27 -0.31 -0.10 0.00 0.02 0.00 0.00 54.97 54.85 3gby s GLU 73 Cb -0.13 -3.87 0.17 0.00 0.10 0.00 0.00 34.13 30.40 3gby s GLU 73 CO 0.16 -0.78 1.80 0.25 0.02 0.00 0.00 175.26 176.71 3gby n THR 74 N 5.55 4.37 -2.25 3.63 -2.24 -1.26 -4.52 114.28 117.56 3gby n THR 74 Ca -0.04 -4.49 -0.27 0.00 -2.27 0.00 0.00 64.05 56.98 3gby n THR 74 Cb 0.48 -2.36 0.04 0.00 -2.10 0.00 0.00 70.33 66.39 3gby n THR 74 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3gby s VAL 75 N 0.45 3.28 0.66 2.28 -7.23 -1.26 -5.01 120.40 113.57 3gby s VAL 75 Ca 0.40 0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 60.44 3gby s VAL 75 Cb 0.08 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.67 3gby s VAL 75 CO 0.01 -0.38 1.16 0.00 -0.31 0.00 0.00 175.10 175.58 3gby s ARG 76 N -5.13 2.66 0.43 4.82 1.70 -1.26 -4.89 118.95 117.28 3gby s ARG 76 Ca 0.56 1.63 0.07 0.00 -0.47 0.00 0.00 55.73 57.52 3gby s ARG 76 Cb -0.11 -1.91 -0.04 0.00 -0.57 0.00 0.00 34.95 32.32 3gby s ARG 76 CO 0.46 -1.40 0.20 -1.54 -1.08 0.00 0.00 175.30 171.94 3gby s SER 77 N -2.11 4.44 0.06 -2.89 1.04 -1.26 -4.49 113.70 108.49 3gby s SER 77 Ca 0.72 -1.11 0.06 0.00 0.48 0.00 0.00 55.95 56.10 3gby s SER 77 Cb -0.26 -0.36 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 3gby s SER 77 CO 0.40 -0.61 -0.18 -0.31 0.98 0.00 0.00 173.24 173.52 3gby s TYR 78 N -2.62 1.53 0.40 5.02 2.02 -0.44 -4.90 117.35 118.35 3gby s TYR 78 Ca 0.39 -0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 56.47 3gby s TYR 78 Cb 0.03 -0.89 -0.09 0.00 -0.40 0.00 0.00 41.96 40.61 3gby s TYR 78 CO 0.22 0.09 1.02 1.03 -1.57 0.00 0.00 175.55 176.33 3gby s ARG 79 N -1.37 4.21 0.54 -0.62 0.52 -1.25 -1.33 118.95 119.65 3gby s ARG 79 Ca 0.04 1.41 0.25 0.00 -0.52 0.00 0.00 55.73 56.92 3gby s ARG 79 Cb -0.09 -2.50 1.41 0.00 0.52 0.00 0.00 34.95 34.30 3gby s ARG 79 CO 0.02 -0.08 2.00 -1.35 0.02 0.00 0.00 175.30 175.91 3gby h PRO 80 N 2.45 0.00 -0.05 3.54 0.11 -1.95 -1.68 132.00 134.43 3gby h PRO 80 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gby h PRO 80 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gby h PRO 80 CO 0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.82 3gby n GLY 81 N -1.62 0.07 3.78 -0.55 0.00 -1.26 -0.86 105.19 104.74 3gby n GLY 81 Ca 0.09 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3gby n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gby s GLU 82 N -1.95 3.32 -0.22 1.61 2.02 -0.63 -4.84 118.70 118.00 3gby s GLU 82 Ca 0.37 1.50 -0.26 0.00 0.02 0.00 0.00 54.97 56.60 3gby s GLU 82 Cb 0.20 -2.01 -0.00 0.00 0.10 0.00 0.00 34.13 32.42 3gby s GLU 82 CO 0.32 -0.85 0.89 -0.65 0.02 0.00 0.00 175.26 174.99 3gby s GLN 83 N -3.48 4.23 0.26 1.61 -1.52 -1.26 -1.39 119.66 118.12 3gby s GLN 83 Ca 0.70 1.08 -0.01 0.00 -1.95 0.00 0.00 55.36 55.18 3gby s GLN 83 Cb -0.22 -3.63 0.51 0.00 -0.22 0.00 0.00 33.01 29.46 3gby s GLN 83 CO 0.29 -0.50 1.79 1.25 -0.25 0.00 0.00 175.29 177.87 3gby h LEU 84 N 9.04 0.64 0.00 2.90 5.85 -1.38 -1.41 115.31 130.96 3gby h LEU 84 Ca -0.23 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3gby h LEU 84 Cb 1.09 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3gby h LEU 84 CO 0.89 0.31 0.00 0.49 -0.34 0.00 0.00 178.44 179.79 3gby n PHE 85 N -4.79 0.00 1.36 1.25 3.72 -1.26 -1.25 117.46 116.48 3gby n PHE 85 Ca 0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.70 3gby n PHE 85 Cb 0.39 -0.07 0.48 0.00 -0.94 0.00 0.00 39.48 39.34 3gby n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gby n ASP 86 N -1.07 0.98 -0.13 4.37 8.00 -0.53 -4.49 116.55 123.68 3gby n ASP 86 Ca 0.21 -0.96 0.01 0.00 0.71 0.00 0.00 54.79 54.76 3gby n ASP 86 Cb 0.14 0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 3gby n ASP 86 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gby n ASN 87 N -0.54 0.46 -0.03 -2.24 3.02 -0.38 -4.87 115.26 110.69 3gby n ASN 87 Ca 0.15 -1.55 -0.04 0.00 -0.03 0.00 0.00 54.58 53.10 3gby n ASN 87 Cb 0.33 -0.08 0.18 0.00 -0.61 0.00 0.00 39.78 39.60 3gby n ASN 87 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gby h LEU 88 N 0.00 0.59 -0.20 3.41 3.38 -1.76 -1.15 115.31 119.58 3gby h LEU 88 Ca 0.00 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3gby h LEU 88 Cb 1.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3gby h LEU 88 CO 0.00 0.78 0.06 0.40 0.09 0.00 0.00 178.44 179.77 3gby h ILE 89 N 0.53 0.94 -0.47 1.22 2.04 -1.92 0.45 117.51 120.30 3gby h ILE 89 Ca 0.09 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 3gby h ILE 89 Cb 0.62 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3gby h ILE 89 CO 0.04 0.03 -0.15 0.77 0.00 0.00 0.00 178.15 178.85 3gby h SER 90 N 0.15 0.91 -0.58 1.72 4.64 -1.86 -1.77 113.55 116.75 3gby h SER 90 Ca 0.09 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3gby h SER 90 Cb 0.06 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3gby h SER 90 CO -0.10 1.05 0.10 0.58 -0.87 0.00 0.00 176.83 177.60 3gby h VAL 91 N 0.80 1.26 -0.21 0.95 2.07 -1.02 -2.29 116.25 117.81 3gby h VAL 91 Ca 0.12 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3gby h VAL 91 Cb 0.68 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3gby h VAL 91 CO 0.05 0.36 -0.02 0.00 0.02 0.00 0.00 177.57 177.97 3gby h ALA 92 N 1.01 1.57 0.00 1.67 0.00 -0.75 -2.78 119.26 119.99 3gby h ALA 92 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gby h ALA 92 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gby h ALA 92 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3gby n ALA 93 N -2.49 2.27 -1.77 0.00 0.00 -0.68 -4.92 120.51 112.91 3gby n ALA 93 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 3gby n ALA 93 Cb 0.21 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3gby n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gby s ALA 94 N -3.09 3.44 0.07 0.00 0.00 -0.90 -4.93 121.76 116.35 3gby s ALA 94 Ca 0.11 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 3gby s ALA 94 Cb 0.13 -3.58 -0.18 0.00 0.00 0.00 0.00 23.12 19.50 3gby s ALA 94 CO 0.58 -1.02 1.63 -0.22 0.00 0.00 0.00 175.76 176.73 3gby h LYS 95 N 2.83 -0.60 -7.13 0.00 3.64 -1.91 -3.43 116.57 109.99 3gby h LYS 95 Ca -0.50 0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.38 3gby h LYS 95 Cb 1.25 0.14 0.13 0.00 -0.41 0.00 0.00 32.23 33.33 3gby h LYS 95 CO 0.63 -0.38 0.45 0.00 -2.27 0.00 0.00 179.45 177.88 3gby n SER 97 N -1.97 1.12 -4.38 0.00 3.41 -1.26 -4.79 113.62 105.76 3gby n SER 97 Ca 0.14 -1.43 -0.25 0.00 -0.26 0.00 0.00 58.87 57.07 3gby n SER 97 Cb 0.50 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.31 3gby n SER 97 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3gby s VAL 98 N -1.96 2.08 0.00 -3.33 -7.23 -1.26 -0.65 120.40 108.05 3gby s VAL 98 Ca 0.38 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.66 3gby s VAL 98 Cb 0.20 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 3gby s VAL 98 CO 0.32 -0.19 -0.14 0.68 -0.31 0.00 0.00 175.10 175.46 3gby s VAL 99 N -1.78 3.10 0.26 1.32 -7.23 0.04 -4.93 120.40 111.18 3gby s VAL 99 Ca 0.17 -0.92 -0.19 0.00 -1.81 0.00 0.00 61.98 59.23 3gby s VAL 99 Cb -0.07 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.50 3gby s VAL 99 CO 0.08 0.44 0.75 -2.16 -0.31 0.00 0.00 175.10 173.89 3gby s PRO 100 N -1.19 4.20 -0.15 4.82 0.04 -1.26 -1.22 135.00 140.23 3gby s PRO 100 Ca 0.14 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 61.96 3gby s PRO 100 Cb -0.11 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 3gby s PRO 100 CO 0.04 0.31 0.10 -0.51 0.04 0.00 0.00 177.00 176.98 3gby s LEU 101 N -2.28 4.09 -0.01 -3.56 1.43 0.38 -1.32 118.68 117.41 3gby s LEU 101 Ca 0.47 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3gby s LEU 101 Cb -0.15 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.06 3gby s LEU 101 CO 0.20 0.29 0.05 0.00 0.23 0.00 0.00 176.35 177.12 3gby s ALA 102 N -0.31 -0.12 1.03 4.21 0.00 -0.44 -0.62 121.76 125.51 3gby s ALA 102 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 3gby s ALA 102 Cb -0.12 -0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.10 3gby s ALA 102 CO 0.01 -0.07 0.67 -0.40 0.00 0.00 0.00 175.76 175.97 3gby n ASP 103 N 2.58 -0.27 0.05 0.00 5.68 -0.35 -3.79 116.55 120.45 3gby n ASP 103 Ca -0.16 -1.17 0.07 0.00 -0.50 0.00 0.00 54.79 53.03 3gby n ASP 103 Cb 0.58 -0.53 0.50 0.00 -1.14 0.00 0.00 41.12 40.54 3gby n ASP 103 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3gby h GLU 104 N 0.00 0.35 0.00 0.11 4.81 -1.99 0.84 114.58 118.70 3gby h GLU 104 Ca -0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3gby h GLU 104 Cb 0.63 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3gby h GLU 104 CO 0.15 0.23 0.00 -0.25 -0.73 0.00 0.00 179.01 178.42 3gby n ASP 105 N -4.49 0.00 0.00 1.04 9.92 -1.26 -4.91 116.55 116.85 3gby n ASP 105 Ca 0.03 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 3gby n ASP 105 Cb 0.15 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 3gby n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gby n GLY 106 N 1.04 0.72 3.69 0.44 0.00 0.29 -5.01 105.19 106.36 3gby n GLY 106 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3gby n GLY 106 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gby s ARG 107 N -0.58 4.23 0.25 1.61 3.52 -1.26 -1.80 118.95 124.92 3gby s ARG 107 Ca 0.00 2.18 -0.31 0.00 -0.13 0.00 0.00 55.73 57.47 3gby s ARG 107 Cb 0.00 -3.62 -0.13 0.00 -1.56 0.00 0.00 34.95 29.64 3gby s ARG 107 CO 0.00 -0.69 1.54 0.98 -0.81 0.00 0.00 175.30 176.32 3gby n TYR 108 N 5.66 2.52 -1.63 5.12 9.36 0.19 -1.22 117.16 137.17 3gby n TYR 108 Ca 0.15 0.29 0.06 0.00 3.32 0.00 0.00 57.90 61.72 3gby n TYR 108 Cb 0.42 -2.55 0.10 0.00 -0.63 0.00 0.00 39.34 36.67 3gby n TYR 108 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3gby n GLU 109 N 2.49 0.80 0.00 2.98 -0.58 0.21 -4.90 120.64 121.65 3gby n GLU 109 Ca 0.12 -2.19 0.00 0.00 -0.42 0.00 0.00 57.16 54.66 3gby n GLU 109 Cb 0.34 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 3gby n GLU 109 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gby n GLY 110 N -0.71 -1.96 3.30 0.62 0.00 -1.26 -4.77 105.19 100.41 3gby n GLY 110 Ca 0.11 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 3gby n GLY 110 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gby s VAL 111 N -0.14 1.16 -0.08 1.61 -7.23 -0.43 -0.47 120.40 114.82 3gby s VAL 111 Ca 0.00 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 3gby s VAL 111 Cb 0.00 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.83 3gby s VAL 111 CO 0.00 -0.52 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.43 3gby s VAL 112 N -3.34 1.41 0.14 1.32 1.01 -0.36 -0.56 120.40 120.03 3gby s VAL 112 Ca 0.23 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3gby s VAL 112 Cb 0.04 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3gby s VAL 112 CO 0.05 0.42 0.34 -0.94 0.00 0.00 0.00 175.10 174.97 3gby s SER 113 N 0.69 6.42 0.44 3.32 1.04 -1.26 -0.78 113.70 123.56 3gby s SER 113 Ca -0.13 0.44 0.11 0.00 0.48 0.00 0.00 55.95 56.84 3gby s SER 113 Cb -0.16 -2.03 0.98 0.00 0.10 0.00 0.00 66.02 64.91 3gby s SER 113 CO 0.03 0.05 2.05 0.03 0.98 0.00 0.00 173.24 176.38 3gby h ARG 114 N 2.58 0.41 0.13 4.02 3.08 -1.27 -1.69 114.38 121.62 3gby h ARG 114 Ca -0.46 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3gby h ARG 114 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3gby h ARG 114 CO 0.72 0.27 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.60 3gby h LYS 115 N 0.42 -0.16 -0.37 0.04 3.64 -1.94 0.32 116.57 118.52 3gby h LYS 115 Ca 0.16 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3gby h LYS 115 Cb 0.12 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3gby h LYS 115 CO -0.04 -0.02 -0.14 0.00 -2.27 0.00 0.00 179.45 176.98 3gby h ARG 116 N -0.27 0.66 0.00 1.90 3.08 -1.89 -0.44 114.38 117.41 3gby h ARG 116 Ca -0.02 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3gby h ARG 116 Cb 0.22 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3gby h ARG 116 CO 0.03 0.77 -0.01 0.82 -1.07 0.00 0.00 179.97 180.51 3gby h ILE 117 N 0.60 0.98 -0.76 2.04 2.04 -1.08 -1.62 117.51 119.70 3gby h ILE 117 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 3gby h ILE 117 Cb 0.58 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3gby h ILE 117 CO 0.04 0.00 0.37 0.25 0.00 0.00 0.00 178.15 178.81 3gby h LEU 118 N -0.02 0.97 -0.96 1.44 5.85 -0.71 -0.30 115.31 121.58 3gby h LEU 118 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3gby h LEU 118 Cb 0.02 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3gby h LEU 118 CO -0.01 0.81 0.55 1.23 -0.34 0.00 0.00 178.44 180.69 3gby h GLY 119 N 1.11 1.36 0.62 3.75 0.00 -0.88 0.78 103.07 109.81 3gby h GLY 119 Ca 0.26 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3gby h GLY 119 CO -0.04 0.56 -0.00 -2.75 0.00 0.00 0.00 176.54 174.31 3gby h PHE 120 N 1.29 0.00 -0.92 5.60 3.57 -0.58 -3.22 116.94 122.68 3gby h PHE 120 Ca 0.33 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.88 3gby h PHE 120 Cb -0.04 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 3gby h PHE 120 CO 0.01 0.39 0.59 -0.07 -2.23 0.00 0.00 178.31 176.99 3gby h LEU 121 N -0.38 0.97 -1.91 0.59 3.38 -0.92 -2.91 115.31 114.13 3gby h LEU 121 Ca 0.00 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3gby h LEU 121 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3gby h LEU 121 CO 0.00 0.65 0.24 0.00 0.09 0.00 0.00 178.44 179.43 3gby h ALA 122 N 1.39 2.19 0.00 1.53 0.00 -0.86 0.26 119.26 123.78 3gby h ALA 122 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3gby h ALA 122 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gby h ALA 122 CO -0.14 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.22 3gby n GLU 123 N -4.46 0.36 0.00 0.00 1.02 -1.10 -4.26 120.64 112.20 3gby n GLU 123 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3gby n GLU 123 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3gby n GLU 123 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3gby n ARG 124 N -1.32 1.25 0.00 3.49 1.85 0.68 -5.15 116.66 117.46 3gby n ARG 124 Ca 0.13 -0.03 0.15 0.00 -1.00 0.00 0.00 57.85 57.10 3gby n ARG 124 Cb 0.26 -0.25 0.88 0.00 -1.05 0.00 0.00 32.46 32.29 3gby n ARG 124 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73