#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t s LYS 2 N 0.00 2.39 1.03 2.12 1.02 -1.26 -5.11 119.74 119.93 3i1t s LYS 2 Ca 0.00 -1.27 -0.16 0.00 0.02 0.00 0.00 55.97 54.56 3i1t s LYS 2 Cb 0.00 -3.06 0.21 0.00 -0.52 0.00 0.00 37.83 34.46 3i1t s LYS 2 CO 0.00 -0.58 1.20 0.95 -0.92 0.00 0.00 175.35 175.99 3i1t s THR 3 N 1.20 1.86 0.99 2.17 -4.23 -1.26 -5.05 115.64 111.33 3i1t s THR 3 Ca -0.06 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 3i1t s THR 3 Cb -0.20 -2.75 0.24 0.00 1.34 0.00 0.00 72.50 71.13 3i1t s THR 3 CO -0.03 0.00 1.09 0.33 -0.54 0.00 0.00 174.62 175.47 3i1t n PHE 4 N -4.10 -3.90 -3.15 3.99 -0.00 -1.26 -5.09 117.46 103.94 3i1t n PHE 4 Ca 0.12 -0.97 0.05 0.00 -0.00 0.00 0.00 57.45 56.65 3i1t n PHE 4 Cb 0.59 -0.97 -0.01 0.00 -0.00 0.00 0.00 39.48 39.09 3i1t n PHE 4 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3i1t s THR 5 N -3.19 -0.32 -0.52 -2.13 -1.32 -1.26 -5.01 115.64 101.89 3i1t s THR 5 Ca 0.66 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.87 3i1t s THR 5 Cb -0.04 -0.89 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 3i1t s THR 5 CO 0.48 0.00 2.44 0.00 -2.21 0.00 0.00 174.62 175.33 3i1t n ALA 6 N 5.42 0.75 -1.83 11.08 0.00 -1.05 -4.92 120.51 129.96 3i1t n ALA 6 Ca -0.05 -0.91 -0.41 0.00 0.00 0.00 0.00 53.44 52.07 3i1t n ALA 6 Cb 0.54 -3.16 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 3i1t n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1t s LYS 7 N 8.34 4.27 0.27 0.00 -0.14 -1.25 -4.83 119.74 126.40 3i1t s LYS 7 Ca 1.00 2.32 -0.01 0.00 -1.36 0.00 0.00 55.97 57.93 3i1t s LYS 7 Cb -0.24 -3.08 0.37 0.00 -1.68 0.00 0.00 37.83 33.21 3i1t s LYS 7 CO 0.27 -0.38 1.77 -1.00 -0.76 0.00 0.00 175.35 175.25 3i1t h PRO 8 N 4.34 0.72 -0.08 -1.68 0.13 -1.97 -2.46 132.00 131.00 3i1t h PRO 8 Ca -0.47 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.42 3i1t h PRO 8 Cb 1.22 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i1t h PRO 8 CO 0.73 0.76 -0.11 1.49 -0.23 0.00 0.00 178.00 180.64 3i1t h GLU 9 N 0.67 0.22 -4.95 0.86 4.81 -2.02 -3.39 114.58 110.79 3i1t h GLU 9 Ca 0.13 -0.13 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 3i1t h GLU 9 Cb 0.46 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.67 3i1t h GLU 9 CO 0.02 0.68 0.66 0.99 -0.73 0.00 0.00 179.01 180.63 3i1t s THR 10 N -4.16 4.75 0.10 0.32 2.01 -0.93 -4.97 115.64 112.77 3i1t s THR 10 Ca -0.15 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.44 3i1t s THR 10 Cb 0.04 -4.71 -0.00 0.00 0.01 0.00 0.00 72.50 67.83 3i1t s THR 10 CO 0.73 -1.42 0.02 1.33 -0.69 0.00 0.00 174.62 174.59 3i1t n VAL 11 N 5.43 0.00 0.00 3.82 0.24 -1.24 -3.80 118.33 122.78 3i1t n VAL 11 Ca 0.16 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3i1t n VAL 11 Cb 0.48 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 3i1t n VAL 11 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1t n LYS 12 N -0.23 0.00 -2.20 7.34 4.76 -1.26 -5.12 118.16 121.44 3i1t n LYS 12 Ca -0.02 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.38 3i1t n LYS 12 Cb 0.14 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.30 3i1t n LYS 12 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1t n ARG 13 N -0.10 -3.05 -1.94 1.97 1.74 -1.26 -5.08 116.66 108.94 3i1t n ARG 13 Ca 0.00 2.46 -0.05 0.00 -0.77 0.00 0.00 57.85 59.50 3i1t n ARG 13 Cb 0.00 -3.67 -0.00 0.00 -1.02 0.00 0.00 32.46 27.77 3i1t n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i1t n ASP 14 N 1.12 1.35 -4.21 0.55 8.00 -1.26 -4.82 116.55 117.28 3i1t n ASP 14 Ca -0.28 -1.34 -0.26 0.00 0.71 0.00 0.00 54.79 53.62 3i1t n ASP 14 Cb 0.43 -0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.38 3i1t n ASP 14 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i1t s TRP 15 N -0.52 1.76 0.04 1.24 0.52 -1.26 -0.70 118.94 120.02 3i1t s TRP 15 Ca 0.05 -0.34 -0.00 0.00 0.02 0.00 0.00 56.10 55.82 3i1t s TRP 15 Cb -0.00 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 3i1t s TRP 15 CO 0.03 0.01 -0.03 0.71 0.02 0.00 0.00 176.95 177.69 3i1t s TYR 16 N -0.57 0.45 0.22 -1.98 1.51 -0.69 -1.94 117.35 114.35 3i1t s TYR 16 Ca 0.07 -0.87 0.10 0.00 -1.01 0.00 0.00 57.07 55.36 3i1t s TYR 16 Cb -0.08 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 3i1t s TYR 16 CO 0.00 -0.30 -0.10 0.08 -1.11 0.00 0.00 175.55 174.12 3i1t s VAL 17 N -3.02 3.05 -0.25 0.71 1.01 -1.21 -1.56 120.40 119.14 3i1t s VAL 17 Ca -0.01 -1.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.03 3i1t s VAL 17 Cb 0.01 -2.55 0.12 0.00 0.00 0.00 0.00 36.38 33.96 3i1t s VAL 17 CO -0.06 -0.22 0.51 0.54 0.00 0.00 0.00 175.10 175.86 3i1t s VAL 18 N -1.97 -0.79 -0.40 2.92 0.11 -0.58 -1.63 120.40 118.06 3i1t s VAL 18 Ca 0.27 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.10 3i1t s VAL 18 Cb -0.08 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3i1t s VAL 18 CO 0.16 0.02 1.21 -0.62 -3.33 0.00 0.00 175.10 172.54 3i1t s ASP 19 N 2.72 6.64 -0.90 3.54 2.15 -1.26 -1.15 116.67 128.41 3i1t s ASP 19 Ca 0.00 0.78 -0.02 0.00 0.43 0.00 0.00 52.55 53.75 3i1t s ASP 19 Cb -0.13 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.29 3i1t s ASP 19 CO -0.16 -1.19 1.96 0.00 -0.17 0.00 0.00 175.17 175.61 3i1t n ALA 20 N 7.82 6.38 -0.32 3.66 0.00 -1.26 -4.72 120.51 132.06 3i1t n ALA 20 Ca 0.13 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.30 3i1t n ALA 20 Cb 0.48 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3i1t n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1t n THR 21 N -0.39 0.00 0.26 0.00 -1.04 -1.26 -3.95 114.28 107.90 3i1t n THR 21 Ca 0.52 0.34 0.12 0.00 -2.04 0.00 0.00 64.05 62.99 3i1t n THR 21 Cb 0.24 -1.11 0.68 0.00 -1.82 0.00 0.00 70.33 68.33 3i1t n THR 21 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3i1t h GLY 22 N 0.00 0.00 -4.77 3.41 0.00 -1.85 -3.24 103.07 96.62 3i1t h GLY 22 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 3i1t h GLY 22 CO 0.00 0.00 -0.07 0.28 0.00 0.00 0.00 176.54 176.75 3i1t n LYS 23 N -3.59 0.85 0.00 4.80 4.76 -1.26 -4.63 118.16 119.08 3i1t n LYS 23 Ca -0.01 0.30 0.14 0.00 -2.87 0.00 0.00 58.31 55.86 3i1t n LYS 23 Cb 0.27 -1.57 0.62 0.00 -1.84 0.00 0.00 35.03 32.51 3i1t n LYS 23 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3i1t n THR 24 N 0.37 0.02 -1.52 -0.18 -1.04 -1.26 -2.98 114.28 107.69 3i1t n THR 24 Ca 0.13 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3i1t n THR 24 Cb 0.28 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 3i1t n THR 24 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i1t n LEU 25 N -1.49 -1.87 0.00 -4.42 -0.00 -1.25 -4.40 117.00 103.56 3i1t n LEU 25 Ca 0.07 2.84 0.00 0.00 -0.00 0.00 0.00 56.01 58.92 3i1t n LEU 25 Cb 0.33 -2.92 0.00 0.00 -0.00 0.00 0.00 43.42 40.83 3i1t n LEU 25 CO 0.27 -0.23 0.00 0.61 -0.00 0.00 0.00 177.39 178.04 3i1t n GLY 26 N -1.81 0.87 0.26 -3.96 0.00 -1.26 -3.85 105.19 95.44 3i1t n GLY 26 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3i1t n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i1t h ARG 27 N 0.00 0.00 0.00 1.61 2.47 -1.98 -0.00 114.38 116.47 3i1t h ARG 27 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 3i1t h ARG 27 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3i1t h ARG 27 CO 0.00 0.12 -0.27 1.25 0.56 0.00 0.00 179.97 181.64 3i1t h LEU 28 N 0.00 0.00 -0.89 3.04 5.85 -1.87 -3.32 115.31 118.12 3i1t h LEU 28 Ca -0.00 -0.42 0.14 0.00 0.84 0.00 0.00 57.88 58.43 3i1t h LEU 28 Cb 0.50 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 3i1t h LEU 28 CO 0.02 0.86 0.51 0.00 -0.34 0.00 0.00 178.44 179.48 3i1t h ALA 29 N -0.58 1.35 0.06 1.25 0.00 -1.82 0.26 119.26 119.79 3i1t h ALA 29 Ca -0.05 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i1t h ALA 29 Cb 0.62 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3i1t h ALA 29 CO -0.03 0.02 -0.49 0.00 0.00 0.00 0.00 179.25 178.75 3i1t h THR 30 N 0.75 0.00 0.00 0.00 1.03 -1.15 0.84 112.91 114.38 3i1t h THR 30 Ca 0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.86 3i1t h THR 30 Cb 0.59 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.67 3i1t h THR 30 CO -0.32 0.00 -0.07 -0.08 -0.01 0.00 0.00 175.52 175.04 3i1t h GLU 31 N -0.66 0.00 0.38 0.00 4.57 -1.30 0.69 114.58 118.27 3i1t h GLU 31 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3i1t h GLU 31 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3i1t h GLU 31 CO -0.29 0.07 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.35 3i1t h LEU 32 N 0.00 -0.43 -1.52 1.64 3.38 -0.03 -2.80 115.31 115.54 3i1t h LEU 32 Ca -0.00 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.30 3i1t h LEU 32 Cb 0.25 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 3i1t h LEU 32 CO 0.01 -0.11 0.75 0.00 0.09 0.00 0.00 178.44 179.19 3i1t h ALA 33 N -1.35 2.54 0.38 1.53 0.00 0.12 1.19 119.26 123.67 3i1t h ALA 33 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i1t h ALA 33 Cb 0.39 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3i1t h ALA 33 CO 0.09 -0.98 -0.33 0.00 0.00 0.00 0.00 179.25 178.03 3i1t h ARG 34 N 0.24 -0.69 0.00 0.00 2.47 -0.88 -2.66 114.38 112.87 3i1t h ARG 34 Ca 0.63 0.05 -0.19 0.00 -1.26 0.00 0.00 59.98 59.21 3i1t h ARG 34 Cb 1.90 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 30.35 3i1t h ARG 34 CO -0.25 -0.46 -0.90 0.00 0.56 0.00 0.00 179.97 178.92 3i1t h ARG 35 N -0.72 0.03 -0.79 0.04 3.08 0.14 -1.22 114.38 114.95 3i1t h ARG 35 Ca -0.03 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.09 3i1t h ARG 35 Cb 0.63 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 3i1t h ARG 35 CO -0.03 0.90 0.51 -0.07 -1.07 0.00 0.00 179.97 180.22 3i1t h LEU 36 N 0.01 0.61 -0.50 3.04 -0.00 -0.13 -1.34 115.31 116.99 3i1t h LEU 36 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3i1t h LEU 36 Cb 1.58 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.13 3i1t h LEU 36 CO 0.12 0.35 -0.38 -1.14 -0.00 0.00 0.00 178.44 177.39 3i1t n ARG 37 N -4.51 0.75 -2.60 1.13 0.63 -1.00 -3.99 116.66 107.06 3i1t n ARG 37 Ca 0.14 -0.50 -0.13 0.00 -0.92 0.00 0.00 57.85 56.43 3i1t n ARG 37 Cb 0.37 -1.49 0.02 0.00 0.45 0.00 0.00 32.46 31.80 3i1t n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1t n GLY 38 N 1.39 -0.08 0.12 5.14 0.00 -0.53 -3.95 105.19 107.27 3i1t n GLY 38 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i1t n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1t n LYS 39 N -2.62 0.55 -0.01 1.61 3.00 -0.51 -3.56 118.16 116.63 3i1t n LYS 39 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.24 3i1t n LYS 39 Cb 0.58 -1.06 0.02 0.00 0.00 0.00 0.00 35.03 34.57 3i1t n LYS 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3i1t n HIS 40 N -0.33 0.02 -1.70 5.64 1.44 -1.26 -4.96 115.22 114.07 3i1t n HIS 40 Ca 0.00 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 3i1t n HIS 40 Cb 0.03 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.14 3i1t n HIS 40 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i1t n LYS 41 N 0.16 3.99 -1.56 -1.40 5.02 -1.23 -4.94 118.16 118.20 3i1t n LYS 41 Ca 0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 3i1t n LYS 41 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.12 3i1t n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1t n ALA 42 N -3.00 6.79 1.13 7.82 0.00 -1.26 -4.76 120.51 127.24 3i1t n ALA 42 Ca 0.00 -3.73 0.02 0.00 0.00 0.00 0.00 53.44 49.73 3i1t n ALA 42 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 19.45 16.21 3i1t n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1t n GLU 43 N 4.16 0.57 -1.43 0.00 0.00 -1.26 -4.75 120.64 117.92 3i1t n GLU 43 Ca 0.67 0.00 -0.47 0.00 0.00 0.00 0.00 57.16 57.37 3i1t n GLU 43 Cb 0.29 -1.10 -0.13 0.00 0.00 0.00 0.00 31.44 30.50 3i1t n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3i1t n TYR 44 N -0.60 0.83 0.00 4.31 9.36 -1.26 -3.95 117.16 125.85 3i1t n TYR 44 Ca 0.03 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.72 3i1t n TYR 44 Cb 0.01 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.34 3i1t n TYR 44 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 3i1t n THR 45 N 7.23 0.00 0.00 2.97 5.66 -1.26 -2.52 114.28 126.37 3i1t n THR 45 Ca 0.60 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.60 3i1t n THR 45 Cb 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 3i1t n THR 45 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3i1t n PRO 46 N 0.00 0.00 0.04 1.09 -0.02 -1.25 -1.81 135.00 133.05 3i1t n PRO 46 Ca 0.00 0.39 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 3i1t n PRO 46 Cb 0.00 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 3i1t n PRO 46 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1t h HIS 47 N 0.00 0.54 -3.22 6.00 3.86 -1.92 -3.48 115.15 116.93 3i1t h HIS 47 Ca 0.00 -0.39 -0.56 0.00 -1.16 0.00 0.00 60.37 58.25 3i1t h HIS 47 Cb 0.12 -0.02 -0.18 0.00 1.06 0.00 0.00 27.41 28.39 3i1t h HIS 47 CO 0.00 1.61 -0.79 0.08 0.86 0.00 0.00 177.93 179.68 3i1t s VAL 48 N -2.58 2.00 -0.12 2.45 1.01 -0.75 -5.03 120.40 117.38 3i1t s VAL 48 Ca -0.16 -1.97 -0.24 0.00 0.00 0.00 0.00 61.98 59.61 3i1t s VAL 48 Cb 0.06 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3i1t s VAL 48 CO 0.82 -0.26 0.75 1.51 0.00 0.00 0.00 175.10 177.92 3i1t s ASP 49 N -2.70 6.94 -0.03 3.32 3.84 -1.26 -4.73 116.67 122.05 3i1t s ASP 49 Ca 0.18 1.15 0.08 0.00 -0.00 0.00 0.00 52.55 53.95 3i1t s ASP 49 Cb -0.06 -2.42 0.20 0.00 -1.38 0.00 0.00 42.92 39.25 3i1t s ASP 49 CO 0.08 -0.25 1.15 0.35 -0.00 0.00 0.00 175.17 176.50 3i1t n THR 50 N 4.28 1.21 -1.95 2.11 -2.24 -1.26 -4.97 114.28 111.47 3i1t n THR 50 Ca 0.01 -1.21 -0.33 0.00 -2.27 0.00 0.00 64.05 60.25 3i1t n THR 50 Cb 0.50 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 69.11 3i1t n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i1t s GLY 51 N -1.28 2.26 0.18 3.38 0.00 -1.25 -4.52 107.32 106.09 3i1t s GLY 51 Ca 0.16 0.58 -0.14 0.00 0.00 0.00 0.00 44.72 45.32 3i1t s GLY 51 CO 0.07 0.92 0.57 0.99 0.00 0.00 0.00 173.10 175.65 3i1t s ASP 52 N -2.43 6.79 -0.27 1.64 -0.00 -1.07 -4.51 116.67 116.83 3i1t s ASP 52 Ca 0.68 1.07 -0.29 0.00 -0.00 0.00 0.00 52.55 54.01 3i1t s ASP 52 Cb -0.20 -2.28 -0.02 0.00 -0.00 0.00 0.00 42.92 40.41 3i1t s ASP 52 CO 0.37 0.05 1.69 -0.31 -0.00 0.00 0.00 175.17 176.96 3i1t s TYR 53 N -1.57 1.98 0.02 4.23 2.02 0.12 -4.54 117.35 119.61 3i1t s TYR 53 Ca 0.41 0.56 0.07 0.00 -0.37 0.00 0.00 57.07 57.73 3i1t s TYR 53 Cb -0.14 -4.06 -0.02 0.00 -0.40 0.00 0.00 41.96 37.34 3i1t s TYR 53 CO 0.20 -2.96 -0.20 -1.50 -1.57 0.00 0.00 175.55 169.52 3i1t s ILE 54 N 5.86 1.58 -0.08 2.71 1.10 -0.93 -1.70 121.20 129.74 3i1t s ILE 54 Ca 0.75 -1.02 0.01 0.00 -0.51 0.00 0.00 60.65 59.88 3i1t s ILE 54 Cb -0.24 -1.35 0.02 0.00 0.15 0.00 0.00 42.46 41.04 3i1t s ILE 54 CO 0.31 0.30 -0.09 0.27 -2.11 0.00 0.00 174.94 173.63 3i1t s ILE 55 N -0.64 0.99 0.21 2.00 -4.36 -0.60 -3.52 121.20 115.28 3i1t s ILE 55 Ca 0.07 -0.34 -0.04 0.00 -0.26 0.00 0.00 60.65 60.09 3i1t s ILE 55 Cb -0.08 -0.97 0.05 0.00 1.25 0.00 0.00 42.46 42.71 3i1t s ILE 55 CO 0.01 0.34 0.22 1.33 0.24 0.00 0.00 174.94 177.08 3i1t n VAL 56 N 4.38 0.00 0.00 8.37 0.24 -1.04 -1.52 118.33 128.76 3i1t n VAL 56 Ca -0.18 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3i1t n VAL 56 Cb 0.51 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 3i1t n VAL 56 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3i1t n LEU 57 N 0.00 0.00 -2.18 1.34 7.94 -0.30 -4.62 117.00 119.19 3i1t n LEU 57 Ca 0.03 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.79 3i1t n LEU 57 Cb 0.11 0.04 -0.14 0.00 0.53 0.00 0.00 43.42 43.95 3i1t n LEU 57 CO 0.08 -0.10 1.74 0.59 -1.11 0.00 0.00 177.39 178.59 3i1t n ASN 58 N -1.29 5.26 -0.12 1.96 4.13 -1.26 -0.27 115.26 123.68 3i1t n ASN 58 Ca 0.00 -2.43 -0.06 0.00 1.68 0.00 0.00 54.58 53.77 3i1t n ASN 58 Cb 0.00 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 36.90 3i1t n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1t h ALA 59 N 3.44 -0.02 -1.08 5.41 0.00 -1.81 -0.59 119.26 124.61 3i1t h ALA 59 Ca 0.25 0.13 0.30 0.00 0.00 0.00 0.00 54.91 55.58 3i1t h ALA 59 Cb 1.28 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 3i1t h ALA 59 CO 0.42 -0.63 0.73 0.38 0.00 0.00 0.00 179.25 180.15 3i1t h ASP 60 N -0.18 0.27 -0.68 0.00 2.03 -1.83 -0.48 116.42 115.55 3i1t h ASP 60 Ca 0.19 0.05 -0.32 0.00 -0.73 0.00 0.00 57.03 56.22 3i1t h ASP 60 Cb 0.48 0.01 -0.19 0.00 -0.83 0.00 0.00 39.33 38.80 3i1t h ASP 60 CO -0.51 0.04 0.29 0.29 -1.03 0.00 0.00 179.24 178.33 3i1t n LYS 61 N -4.46 2.36 -3.02 4.15 5.02 -0.24 -4.98 118.16 116.99 3i1t n LYS 61 Ca 0.25 -3.08 -0.39 0.00 -2.02 0.00 0.00 58.31 53.07 3i1t n LYS 61 Cb 1.02 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 3i1t n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1t s VAL 62 N -3.21 4.47 -0.17 -0.18 0.11 -0.19 -4.54 120.40 116.68 3i1t s VAL 62 Ca 0.51 1.63 -0.14 0.00 -2.93 0.00 0.00 61.98 61.05 3i1t s VAL 62 Cb 0.44 -4.10 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 3i1t s VAL 62 CO 0.07 0.51 0.31 0.00 -3.33 0.00 0.00 175.10 172.65 3i1t s ALA 63 N -1.00 3.58 -0.05 1.54 0.00 -1.16 -4.98 121.76 119.69 3i1t s ALA 63 Ca 0.35 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 3i1t s ALA 63 Cb -0.22 -2.44 -0.31 0.00 0.00 0.00 0.00 23.12 20.15 3i1t s ALA 63 CO 0.25 -0.01 0.76 -0.24 0.00 0.00 0.00 175.76 176.52 3i1t h VAL 64 N 4.78 1.23 -3.71 0.00 3.04 -1.88 -3.34 116.25 116.36 3i1t h VAL 64 Ca -0.40 -2.51 0.00 0.00 -1.01 0.00 0.00 66.70 62.78 3i1t h VAL 64 Cb 1.16 2.95 0.00 0.00 -2.01 0.00 0.00 31.29 33.39 3i1t h VAL 64 CO 0.74 0.75 -0.08 0.41 -1.01 0.00 0.00 177.57 178.38 3i1t n THR 65 N -3.92 -4.31 -0.22 3.17 -1.04 -1.26 -4.92 114.28 101.79 3i1t n THR 65 Ca -0.20 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3i1t n THR 65 Cb 0.93 -4.79 0.00 0.00 -1.82 0.00 0.00 70.33 64.66 3i1t n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1t n GLY 66 N -0.83 -2.72 0.37 3.41 0.00 -1.26 -4.91 105.19 99.25 3i1t n GLY 66 Ca 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3i1t n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1t n ASN 67 N 3.00 0.57 -1.09 1.61 2.85 -1.26 -3.29 115.26 117.65 3i1t n ASN 67 Ca 0.00 -1.53 0.11 0.00 -0.11 0.00 0.00 54.58 53.05 3i1t n ASN 67 Cb 0.00 -0.28 0.19 0.00 1.24 0.00 0.00 39.78 40.92 3i1t n ASN 67 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 3i1t n LYS 68 N -0.04 2.42 0.20 1.20 2.85 -1.26 -3.92 118.16 119.61 3i1t n LYS 68 Ca 0.00 -2.19 0.18 0.00 -1.05 0.00 0.00 58.31 55.25 3i1t n LYS 68 Cb 0.14 -1.49 0.83 0.00 -0.65 0.00 0.00 35.03 33.87 3i1t n LYS 68 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3i1t h ARG 69 N 4.38 0.00 0.00 -1.58 9.65 -1.94 -2.77 114.38 122.12 3i1t h ARG 69 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i1t h ARG 69 Cb 0.97 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 3i1t h ARG 69 CO 0.00 0.00 -0.19 0.25 2.80 0.00 0.00 179.97 182.83 3i1t n THR 70 N -3.63 0.46 -2.41 0.20 -2.24 -1.25 -1.76 114.28 103.65 3i1t n THR 70 Ca 0.02 -0.53 0.03 0.00 -2.27 0.00 0.00 64.05 61.30 3i1t n THR 70 Cb 0.38 0.53 0.02 0.00 -2.10 0.00 0.00 70.33 69.16 3i1t n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i1t n ASP 71 N -0.32 0.82 -2.92 3.42 10.43 -1.04 -4.88 116.55 122.06 3i1t n ASP 71 Ca 0.03 -2.00 0.00 0.00 2.57 0.00 0.00 54.79 55.39 3i1t n ASP 71 Cb 0.56 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.24 3i1t n ASP 71 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1t n LYS 72 N 0.41 0.63 0.00 -1.24 4.76 -1.23 -4.89 118.16 116.61 3i1t n LYS 72 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3i1t n LYS 72 Cb 1.07 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.26 3i1t n LYS 72 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3i1t n VAL 73 N -0.72 0.00 -3.11 -0.18 0.24 -1.26 -4.72 118.33 108.57 3i1t n VAL 73 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 3i1t n VAL 73 Cb 0.00 -0.66 0.01 0.00 -1.47 0.00 0.00 33.84 31.73 3i1t n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i1t n TYR 74 N -2.34 -3.09 -4.32 6.34 4.02 -1.26 -3.50 117.16 113.01 3i1t n TYR 74 Ca 0.00 1.24 -0.35 0.00 -0.01 0.00 0.00 57.90 58.78 3i1t n TYR 74 Cb 0.00 -3.52 -0.10 0.00 -0.02 0.00 0.00 39.34 35.71 3i1t n TYR 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3i1t s TYR 75 N -2.50 3.18 0.09 -0.72 2.02 -1.26 -3.47 117.35 114.68 3i1t s TYR 75 Ca 0.20 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.07 3i1t s TYR 75 Cb -0.04 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 3i1t s TYR 75 CO 0.80 0.42 -0.04 -3.38 -1.57 0.00 0.00 175.55 171.78 3i1t s HIS 76 N -0.69 0.76 -0.36 2.71 -3.43 -1.00 -4.99 115.29 108.29 3i1t s HIS 76 Ca 0.11 -1.01 0.02 0.00 -0.80 0.00 0.00 55.06 53.37 3i1t s HIS 76 Cb -0.12 -0.47 0.11 0.00 -1.43 0.00 0.00 32.58 30.67 3i1t s HIS 76 CO 0.02 -0.28 0.13 -1.58 -2.00 0.00 0.00 174.74 171.03 3i1t s HIS 77 N -3.78 2.43 0.28 0.38 2.46 -1.26 -0.56 115.29 115.24 3i1t s HIS 77 Ca 0.12 -2.34 -0.02 0.00 0.47 0.00 0.00 55.06 53.28 3i1t s HIS 77 Cb 0.07 -2.16 0.60 0.00 -0.13 0.00 0.00 32.58 30.96 3i1t s HIS 77 CO -0.06 -0.87 1.48 0.25 -2.47 0.00 0.00 174.74 173.08 3i1t n THR 78 N 4.26 -0.40 0.00 0.89 -2.24 -1.15 -4.74 114.28 110.90 3i1t n THR 78 Ca 0.03 2.12 0.00 0.00 -2.27 0.00 0.00 64.05 63.93 3i1t n THR 78 Cb 0.39 -3.03 0.00 0.00 -2.10 0.00 0.00 70.33 65.60 3i1t n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 79 N -1.53 1.36 2.93 3.38 0.00 -1.26 -5.09 105.19 104.98 3i1t n GLY 79 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3i1t n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i1t n HIS 80 N 0.00 0.13 0.00 1.61 8.25 -1.26 -5.06 115.22 118.89 3i1t n HIS 80 Ca 0.00 -2.28 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 3i1t n HIS 80 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3i1t n HIS 80 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3i1t n ILE 81 N -0.80 0.00 -0.06 1.59 5.41 -1.26 -3.19 119.36 121.05 3i1t n ILE 81 Ca -0.05 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.62 3i1t n ILE 81 Cb 0.53 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.45 3i1t n ILE 81 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3i1t h GLY 82 N 0.00 0.05 0.00 7.39 0.00 -2.04 -3.43 103.07 105.04 3i1t h GLY 82 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3i1t h GLY 82 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 176.99 3i1t n GLY 83 N -1.31 -0.29 3.54 4.60 0.00 -1.19 -4.76 105.19 105.77 3i1t n GLY 83 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3i1t n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1t n ILE 84 N 0.00 0.21 -4.53 -0.61 0.13 -1.26 -2.93 119.36 110.37 3i1t n ILE 84 Ca 0.00 -0.43 -0.33 0.00 -1.10 0.00 0.00 62.75 60.88 3i1t n ILE 84 Cb 0.00 -2.22 -0.11 0.00 -0.84 0.00 0.00 39.64 36.47 3i1t n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 3i1t s LYS 85 N 6.72 2.69 0.48 9.51 1.02 0.27 -4.99 119.74 135.43 3i1t s LYS 85 Ca 1.05 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 56.48 3i1t s LYS 85 Cb -0.52 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.21 3i1t s LYS 85 CO 0.39 0.64 0.27 -1.14 -0.92 0.00 0.00 175.35 174.59 3i1t s GLN 86 N -1.10 2.27 0.00 1.68 0.74 -1.26 -2.37 119.66 119.62 3i1t s GLN 86 Ca 0.15 -1.95 0.00 0.00 0.05 0.00 0.00 55.36 53.60 3i1t s GLN 86 Cb -0.11 -2.01 0.00 0.00 1.10 0.00 0.00 33.01 31.98 3i1t s GLN 86 CO 0.04 -0.36 0.00 0.00 -0.55 0.00 0.00 175.29 174.42 3i1t n ALA 87 N -1.49 0.00 -1.80 1.58 0.00 -1.23 -5.00 120.51 112.58 3i1t n ALA 87 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 3i1t n ALA 87 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.05 3i1t n ALA 87 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i1t s THR 88 N 0.00 4.14 0.19 0.00 -1.32 -1.26 -4.27 115.64 113.12 3i1t s THR 88 Ca 0.00 1.23 -0.24 0.00 -1.21 0.00 0.00 61.69 61.47 3i1t s THR 88 Cb 0.00 -3.54 0.08 0.00 -1.51 0.00 0.00 72.50 67.52 3i1t s THR 88 CO 0.00 -0.39 1.53 0.33 -2.21 0.00 0.00 174.62 173.88 3i1t n PHE 89 N -1.10 -0.21 -0.35 9.09 -0.00 -1.26 0.11 117.46 123.73 3i1t n PHE 89 Ca 0.08 1.23 0.27 0.00 -0.00 0.00 0.00 57.45 59.03 3i1t n PHE 89 Cb 0.53 -0.72 0.55 0.00 -0.00 0.00 0.00 39.48 39.85 3i1t n PHE 89 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 3i1t h GLU 90 N 0.00 0.29 0.00 -4.13 4.81 -1.65 0.46 114.58 114.36 3i1t h GLU 90 Ca 0.25 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.23 3i1t h GLU 90 Cb 0.49 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3i1t h GLU 90 CO -0.95 0.19 -1.32 0.93 -0.73 0.00 0.00 179.01 177.13 3i1t h GLU 91 N 0.30 0.00 -0.01 1.92 5.08 0.49 -3.30 114.58 119.05 3i1t h GLU 91 Ca 0.66 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.01 3i1t h GLU 91 Cb 1.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 3i1t h GLU 91 CO -0.33 0.66 -0.05 0.52 -1.00 0.00 0.00 179.01 178.80 3i1t h MET 92 N 0.00 0.01 0.00 2.33 2.86 0.46 -0.48 114.93 120.11 3i1t h MET 92 Ca -0.15 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 3i1t h MET 92 Cb 1.83 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.47 3i1t h MET 92 CO 0.09 0.06 -0.58 0.82 1.06 0.00 0.00 176.91 178.37 3i1t h ILE 93 N 0.01 1.09 -0.35 -1.22 5.03 -1.47 -3.26 117.51 117.35 3i1t h ILE 93 Ca 0.00 -2.26 -0.70 0.00 -0.12 0.00 0.00 64.86 61.78 3i1t h ILE 93 Cb 0.10 2.35 -0.02 0.00 -3.03 0.00 0.00 36.82 36.22 3i1t h ILE 93 CO 0.01 0.57 3.37 0.00 -0.68 0.00 0.00 178.15 181.41 3i1t n ALA 94 N -2.29 7.15 0.00 1.87 0.00 -0.19 -4.23 120.51 122.82 3i1t n ALA 94 Ca 0.01 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.72 3i1t n ALA 94 Cb 0.70 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.93 3i1t n ALA 94 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i1t n ARG 95 N 3.31 0.00 -2.27 0.00 -4.01 -1.26 -4.99 116.66 107.44 3i1t n ARG 95 Ca 0.71 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.52 3i1t n ARG 95 Cb 0.25 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.67 3i1t n ARG 95 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3i1t n ARG 96 N -0.93 -0.21 0.24 2.89 1.74 -1.26 -4.72 116.66 114.40 3i1t n ARG 96 Ca 0.00 -0.11 0.16 0.00 -0.77 0.00 0.00 57.85 57.14 3i1t n ARG 96 Cb 0.00 0.19 0.71 0.00 -1.02 0.00 0.00 32.46 32.34 3i1t n ARG 96 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3i1t h PRO 97 N 1.24 0.00 -0.12 5.56 0.13 -1.73 -2.13 132.00 134.95 3i1t h PRO 97 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 3i1t h PRO 97 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i1t h PRO 97 CO 0.00 0.00 0.80 0.93 -0.23 0.00 0.00 178.00 179.50 3i1t h GLU 98 N 0.00 0.00 0.00 0.86 4.39 -1.84 -1.93 114.58 116.06 3i1t h GLU 98 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i1t h GLU 98 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3i1t h GLU 98 CO 0.00 0.00 -1.01 0.54 -1.16 0.00 0.00 179.01 177.38 3i1t n ARG 99 N -2.75 0.18 -0.11 2.33 1.74 -0.80 -3.45 116.66 113.80 3i1t n ARG 99 Ca 0.02 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3i1t n ARG 99 Cb 0.86 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.73 3i1t n ARG 99 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1t h VAL 100 N 0.00 1.27 0.00 1.55 2.07 -1.58 0.12 116.25 119.69 3i1t h VAL 100 Ca 0.00 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 3i1t h VAL 100 Cb 0.64 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3i1t h VAL 100 CO 0.00 0.53 -0.33 0.40 0.02 0.00 0.00 177.57 178.19 3i1t h ILE 101 N 0.74 0.62 0.06 4.57 1.08 -1.76 -2.67 117.51 120.16 3i1t h ILE 101 Ca 0.05 -1.65 -0.00 0.00 -0.39 0.00 0.00 64.86 62.87 3i1t h ILE 101 Cb 1.01 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 3i1t h ILE 101 CO 0.10 0.32 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.77 3i1t h GLU 102 N 0.00 -0.08 0.00 2.37 4.81 -1.48 -3.13 114.58 117.07 3i1t h GLU 102 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3i1t h GLU 102 Cb 1.10 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 3i1t h GLU 102 CO 0.04 0.40 -0.15 -0.84 -0.73 0.00 0.00 179.01 177.73 3i1t h ILE 103 N -0.95 0.27 0.00 2.32 -0.00 -0.90 -2.88 117.51 115.36 3i1t h ILE 103 Ca -0.01 -1.31 -0.06 0.00 -0.00 0.00 0.00 64.86 63.48 3i1t h ILE 103 Cb 0.52 2.08 -0.01 0.00 -0.00 0.00 0.00 36.82 39.41 3i1t h ILE 103 CO 0.01 0.15 -0.28 0.00 -0.00 0.00 0.00 178.15 178.04 3i1t h ALA 104 N 1.85 1.04 0.00 0.16 0.00 -1.58 -2.99 119.26 117.74 3i1t h ALA 104 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i1t h ALA 104 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i1t h ALA 104 CO 0.02 0.35 -1.41 1.55 0.00 0.00 0.00 179.25 179.75 3i1t n VAL 105 N -3.48 0.08 -0.09 0.00 3.14 -1.14 -3.98 118.33 112.87 3i1t n VAL 105 Ca -0.00 -0.30 -0.13 0.00 -2.96 0.00 0.00 64.34 60.94 3i1t n VAL 105 Cb 0.44 0.30 -0.02 0.00 -1.06 0.00 0.00 33.84 33.50 3i1t n VAL 105 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 3i1t h LYS 106 N 0.00 0.87 0.00 1.45 1.63 -1.37 -0.24 116.57 118.90 3i1t h LYS 106 Ca 0.00 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 3i1t h LYS 106 Cb 0.80 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 3i1t h LYS 106 CO 0.00 1.15 0.00 0.78 -3.45 0.00 0.00 179.45 177.93 3i1t h GLY 107 N 0.77 0.00 0.32 5.01 0.00 -1.67 -2.64 103.07 104.86 3i1t h GLY 107 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.16 3i1t h GLY 107 CO 0.11 0.00 -1.96 1.03 0.00 0.00 0.00 176.54 175.71 3i1t n MET 108 N -2.74 0.66 -2.81 4.80 2.81 -1.04 -4.91 117.12 113.88 3i1t n MET 108 Ca -0.00 0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.54 3i1t n MET 108 Cb 0.20 -1.61 -0.07 0.00 -0.71 0.00 0.00 33.22 31.03 3i1t n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i1t s LEU 109 N -5.31 4.27 0.00 4.03 1.43 -0.13 -5.00 118.68 117.97 3i1t s LEU 109 Ca -0.07 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 3i1t s LEU 109 Cb 0.09 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.23 3i1t s LEU 109 CO 0.85 -0.11 0.00 -0.81 0.23 0.00 0.00 176.35 176.50 3i1t n PRO 110 N 0.35 1.30 0.00 1.29 -0.04 -1.26 -4.89 135.00 131.75 3i1t n PRO 110 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3i1t n PRO 110 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 3i1t n PRO 110 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i1t n LYS 111 N -0.34 0.00 0.05 0.54 4.76 -1.26 -4.16 118.16 117.74 3i1t n LYS 111 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1t n LYS 111 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i1t n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1t n GLY 112 N 0.00 -0.42 0.10 0.72 0.00 -1.26 -4.75 105.19 99.58 3i1t n GLY 112 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3i1t n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i1t h PRO 113 N 0.00 0.00 -0.19 1.61 0.11 -1.99 -3.32 132.00 128.22 3i1t h PRO 113 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 3i1t h PRO 113 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 3i1t h PRO 113 CO 0.00 0.96 -0.70 1.25 -0.21 0.00 0.00 178.00 179.30 3i1t h LEU 114 N -1.00 0.92 -0.83 2.35 5.85 -1.94 -2.88 115.31 117.79 3i1t h LEU 114 Ca -0.27 -0.56 0.15 0.00 0.84 0.00 0.00 57.88 58.03 3i1t h LEU 114 Cb 1.21 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 3i1t h LEU 114 CO -0.16 1.36 0.41 1.23 -0.34 0.00 0.00 178.44 180.93 3i1t h GLY 115 N 0.66 1.33 2.00 3.75 0.00 -1.78 0.11 103.07 109.14 3i1t h GLY 115 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3i1t h GLY 115 CO 0.15 -0.05 0.00 -0.09 0.00 0.00 0.00 176.54 176.54 3i1t h ARG 116 N 0.58 0.00 0.00 4.80 9.65 -1.65 -2.75 114.38 125.02 3i1t h ARG 116 Ca 0.45 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 59.18 3i1t h ARG 116 Cb 0.65 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 3i1t h ARG 116 CO -0.37 0.00 -0.70 0.00 2.80 0.00 0.00 179.97 181.70 3i1t h ALA 117 N 2.17 0.81 -0.03 2.80 0.00 -0.60 -3.02 119.26 121.39 3i1t h ALA 117 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.06 3i1t h ALA 117 Cb 0.77 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3i1t h ALA 117 CO 0.00 0.88 -0.79 0.52 0.00 0.00 0.00 179.25 179.86 3i1t h MET 118 N 0.00 0.59 -0.53 0.00 2.86 -0.93 -3.25 114.93 113.67 3i1t h MET 118 Ca -0.01 -0.59 0.10 0.00 -2.06 0.00 0.00 59.70 57.14 3i1t h MET 118 Cb 1.26 0.16 -0.08 0.00 0.06 0.00 0.00 31.60 33.00 3i1t h MET 118 CO 0.09 1.21 0.02 0.35 1.06 0.00 0.00 176.91 179.64 3i1t h PHE 119 N 0.20 0.01 -0.41 -0.22 3.04 -1.54 -1.28 116.94 116.75 3i1t h PHE 119 Ca -0.09 0.04 0.12 0.00 3.98 0.00 0.00 57.97 62.01 3i1t h PHE 119 Cb 1.46 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 40.03 3i1t h PHE 119 CO 0.12 -0.10 1.07 0.54 -2.02 0.00 0.00 178.31 177.91 3i1t n ARG 120 N -5.22 0.02 -0.29 1.11 1.74 -1.14 0.56 116.66 113.44 3i1t n ARG 120 Ca 0.06 0.96 0.04 0.00 -0.77 0.00 0.00 57.85 58.14 3i1t n ARG 120 Cb 0.29 -2.50 0.16 0.00 -1.02 0.00 0.00 32.46 29.38 3i1t n ARG 120 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i1t n LYS 121 N -2.75 2.28 -3.94 5.56 5.02 -0.48 -4.78 118.16 119.05 3i1t n LYS 121 Ca 0.09 -1.25 -0.29 0.00 -2.02 0.00 0.00 58.31 54.85 3i1t n LYS 121 Cb 1.19 -1.59 -0.17 0.00 -0.02 0.00 0.00 35.03 34.44 3i1t n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i1t s LEU 122 N -1.10 1.58 0.23 -0.35 2.96 0.19 -2.20 118.68 120.00 3i1t s LEU 122 Ca 0.22 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 3i1t s LEU 122 Cb 0.15 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 3i1t s LEU 122 CO 0.10 -0.12 0.17 -0.54 -1.32 0.00 0.00 176.35 174.63 3i1t s LYS 123 N 1.59 2.87 0.09 1.98 3.01 -1.23 -5.04 119.74 123.00 3i1t s LYS 123 Ca 0.03 -1.04 0.00 0.00 -1.01 0.00 0.00 55.97 53.95 3i1t s LYS 123 Cb -0.14 -2.55 0.00 0.00 -1.01 0.00 0.00 37.83 34.13 3i1t s LYS 123 CO -0.09 0.42 0.00 1.55 0.51 0.00 0.00 175.35 177.74 3i1t n VAL 124 N -0.95 0.98 -4.97 3.17 3.14 -1.26 -2.48 118.33 115.96 3i1t n VAL 124 Ca -0.08 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 3i1t n VAL 124 Cb 0.57 -1.44 0.00 0.00 -1.06 0.00 0.00 33.84 31.91 3i1t n VAL 124 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3i1t n TYR 125 N -3.32 -1.25 -2.73 1.45 4.01 -1.26 -3.30 117.16 110.76 3i1t n TYR 125 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3i1t n TYR 125 Cb 0.00 0.22 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3i1t n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1t n ALA 126 N 1.43 -2.27 0.00 -0.72 0.00 -0.87 -4.17 120.51 113.91 3i1t n ALA 126 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3i1t n ALA 126 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3i1t n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 127 N 2.37 0.69 3.95 0.00 0.00 0.63 -4.76 105.19 108.08 3i1t n GLY 127 Ca 0.13 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3i1t n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1t n ASN 128 N 0.00 -2.58 -3.66 1.61 3.02 -1.26 -4.94 115.26 107.45 3i1t n ASN 128 Ca 0.00 -0.90 -0.09 0.00 -0.03 0.00 0.00 54.58 53.57 3i1t n ASN 128 Cb 0.00 -3.46 -0.10 0.00 -0.61 0.00 0.00 39.78 35.61 3i1t n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3i1t s GLU 129 N -6.54 0.33 -0.03 3.52 4.04 -1.26 -5.14 118.70 113.62 3i1t s GLU 129 Ca 0.37 1.00 -0.02 0.00 0.04 0.00 0.00 54.97 56.36 3i1t s GLU 129 Cb -0.19 0.27 0.02 0.00 0.02 0.00 0.00 34.13 34.24 3i1t s GLU 129 CO 0.86 -0.24 0.08 -3.38 -1.84 0.00 0.00 175.26 170.74 3i1t s HIS 130 N 2.42 -0.08 -1.84 4.83 -3.43 -1.26 -4.64 115.29 111.30 3i1t s HIS 130 Ca -0.03 0.23 0.13 0.00 -0.80 0.00 0.00 55.06 54.59 3i1t s HIS 130 Cb -0.11 -0.03 0.40 0.00 -1.43 0.00 0.00 32.58 31.41 3i1t s HIS 130 CO -0.13 -0.07 1.31 0.09 -2.00 0.00 0.00 174.74 173.95 3i1t n ASN 131 N 3.39 2.52 -2.44 7.38 3.02 -1.26 -4.10 115.26 123.76 3i1t n ASN 131 Ca -0.17 -2.06 -0.32 0.00 -0.03 0.00 0.00 54.58 52.00 3i1t n ASN 131 Cb 0.57 -0.33 0.04 0.00 -0.61 0.00 0.00 39.78 39.45 3i1t n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3i1t n HIS 132 N 0.74 3.09 0.39 3.10 8.25 -1.26 -4.68 115.22 124.86 3i1t n HIS 132 Ca 0.15 -2.68 0.12 0.00 -0.26 0.00 0.00 57.72 55.06 3i1t n HIS 132 Cb 0.42 -0.88 0.27 0.00 1.12 0.00 0.00 29.99 30.92 3i1t n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1t h ALA 133 N 2.41 1.00 0.00 -1.41 0.00 -2.03 -3.19 119.26 116.04 3i1t h ALA 133 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3i1t h ALA 133 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i1t h ALA 133 CO 1.23 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.48 3i1t n ALA 134 N -1.97 2.34 -0.49 0.00 0.00 -1.26 -2.75 120.51 116.37 3i1t n ALA 134 Ca 0.05 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.46 3i1t n ALA 134 Cb 0.49 -1.41 0.34 0.00 0.00 0.00 0.00 19.45 18.86 3i1t n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i1t n GLN 135 N -1.18 3.22 -3.75 0.00 3.00 -1.20 -4.98 117.38 112.49 3i1t n GLN 135 Ca 0.15 -2.77 -0.26 0.00 -0.01 0.00 0.00 57.00 54.10 3i1t n GLN 135 Cb 0.16 -1.72 0.02 0.00 0.00 0.00 0.00 30.24 28.70 3i1t n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3i1t n GLN 136 N 1.38 -2.95 -2.05 -1.09 1.13 -1.11 -4.74 117.38 107.95 3i1t n GLN 136 Ca 0.25 0.51 -0.37 0.00 -1.94 0.00 0.00 57.00 55.44 3i1t n GLN 136 Cb 0.75 -4.62 0.02 0.00 0.11 0.00 0.00 30.24 26.49 3i1t n GLN 136 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3i1t s PRO 137 N -6.08 3.40 -0.18 -1.09 0.04 -1.26 -4.76 135.00 125.07 3i1t s PRO 137 Ca 0.20 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 3i1t s PRO 137 Cb -0.06 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 3i1t s PRO 137 CO 0.85 -0.89 -0.12 -1.14 0.04 0.00 0.00 177.00 175.74 3i1t s GLN 138 N -2.89 3.25 0.54 4.56 0.74 -0.82 -4.84 119.66 120.20 3i1t s GLN 138 Ca 0.69 -0.71 -0.20 0.00 0.05 0.00 0.00 55.36 55.19 3i1t s GLN 138 Cb -0.33 -2.76 -0.08 0.00 1.10 0.00 0.00 33.01 30.93 3i1t s GLN 138 CO 0.39 -0.09 0.73 1.33 -0.55 0.00 0.00 175.29 177.10 3i1t n VAL 139 N 4.39 2.64 -3.51 1.34 0.24 -1.26 -3.32 118.33 118.84 3i1t n VAL 139 Ca -0.19 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.34 61.55 3i1t n VAL 139 Cb 0.51 -0.88 -0.07 0.00 -1.47 0.00 0.00 33.84 31.94 3i1t n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3i1t s LEU 140 N -0.13 -0.83 -0.10 1.34 1.98 -0.64 -4.83 118.68 115.47 3i1t s LEU 140 Ca 0.69 0.89 -0.28 0.00 -2.89 0.00 0.00 54.13 52.54 3i1t s LEU 140 Cb -0.47 1.56 -0.02 0.00 0.66 0.00 0.00 46.19 47.92 3i1t s LEU 140 CO 0.53 -0.25 0.95 1.51 -1.89 0.00 0.00 176.35 177.20 3i1t s ASP 141 N 2.68 7.19 0.00 3.68 -4.77 -1.26 -4.29 116.67 119.90 3i1t s ASP 141 Ca 0.04 1.46 0.00 0.00 -3.30 0.00 0.00 52.55 50.75 3i1t s ASP 141 Cb -0.13 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 3i1t s ASP 141 CO -0.16 -0.39 0.00 -0.38 0.70 0.00 0.00 175.17 174.94