#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t s LYS 2 N 0.00 0.31 0.86 2.12 -2.85 -1.26 -5.16 119.74 113.76 2i2t s LYS 2 Ca 0.00 0.33 -0.15 0.00 -1.00 0.00 0.00 55.97 55.14 2i2t s LYS 2 Cb 0.00 0.15 -0.06 0.00 -2.06 0.00 0.00 37.83 35.87 2i2t s LYS 2 CO 0.00 -0.57 0.04 0.25 0.10 0.00 0.00 175.35 175.17 2i2t n THR 3 N 5.25 0.49 0.00 3.79 -2.24 -1.26 -4.98 114.28 115.34 2i2t n THR 3 Ca 0.07 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2i2t n THR 3 Cb 0.56 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2i2t n THR 3 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2i2t n PHE 4 N -2.75 -0.19 0.00 4.78 -0.00 -1.26 -5.09 117.46 112.96 2i2t n PHE 4 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 2i2t n PHE 4 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.01 2i2t n PHE 4 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2i2t n THR 5 N -0.19 0.00 -1.51 -2.13 5.66 -1.26 -5.07 114.28 109.77 2i2t n THR 5 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2i2t n THR 5 Cb 0.00 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.87 2i2t n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2i2t s ALA 6 N 0.00 2.17 -0.18 1.79 0.00 -1.26 -5.01 121.76 119.27 2i2t s ALA 6 Ca 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 2i2t s ALA 6 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2i2t s ALA 6 CO 0.00 -1.85 -0.10 0.15 0.00 0.00 0.00 175.76 173.96 2i2t s LYS 7 N -3.69 3.32 0.30 0.00 -0.14 -1.26 -4.98 119.74 113.30 2i2t s LYS 7 Ca 0.78 -0.68 -0.02 0.00 -1.36 0.00 0.00 55.97 54.70 2i2t s LYS 7 Cb -0.33 -2.80 0.66 0.00 -1.68 0.00 0.00 37.83 33.67 2i2t s LYS 7 CO 0.44 -0.04 1.56 -2.30 -0.76 0.00 0.00 175.35 174.25 2i2t n PRO 8 N 4.28 -0.08 0.00 -1.68 -0.02 -1.26 -3.00 135.00 133.24 2i2t n PRO 8 Ca -0.19 1.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.81 2i2t n PRO 8 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2i2t n PRO 8 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2i2t n GLU 9 N -5.55 0.00 -1.67 -0.52 4.07 -1.26 -4.33 120.64 111.38 2i2t n GLU 9 Ca 0.21 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.08 2i2t n GLU 9 Cb 0.68 -0.93 -0.05 0.00 -0.06 0.00 0.00 31.44 31.08 2i2t n GLU 9 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2i2t s THR 10 N -0.86 3.09 -0.06 6.31 -4.23 -1.16 -4.89 115.64 113.85 2i2t s THR 10 Ca 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2i2t s THR 10 Cb 0.00 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.65 2i2t s THR 10 CO 0.00 -0.21 0.12 -0.69 -0.54 0.00 0.00 174.62 173.29 2i2t s VAL 11 N 13.07 -0.07 0.00 2.29 1.01 -1.26 -4.41 120.40 131.03 2i2t s VAL 11 Ca 0.89 0.22 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2i2t s VAL 11 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2i2t s VAL 11 CO 0.12 0.09 0.57 0.29 0.00 0.00 0.00 175.10 176.17 2i2t n LYS 12 N 4.35 0.00 0.00 2.72 4.76 -1.26 -4.88 118.16 123.85 2i2t n LYS 12 Ca -0.24 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2i2t n LYS 12 Cb 0.51 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 2i2t n LYS 12 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2i2t n ARG 13 N -0.97 0.00 -0.10 1.97 5.12 -1.26 -4.98 116.66 116.44 2i2t n ARG 13 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2i2t n ARG 13 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 2i2t n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2i2t n ASP 14 N 5.55 -0.59 -4.11 0.55 10.43 -1.26 0.00 116.55 127.12 2i2t n ASP 14 Ca 0.00 0.08 -0.24 0.00 2.57 0.00 0.00 54.79 57.20 2i2t n ASP 14 Cb 0.00 -0.33 -0.16 0.00 1.84 0.00 0.00 41.12 42.48 2i2t n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 2i2t s TRP 15 N -2.27 1.44 0.22 1.24 0.52 -1.26 -0.70 118.94 118.13 2i2t s TRP 15 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.79 2i2t s TRP 15 Cb 0.00 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.32 2i2t s TRP 15 CO 0.00 -0.09 0.08 0.71 0.02 0.00 0.00 176.95 177.67 2i2t s TYR 16 N -0.13 1.34 -0.09 -1.98 1.51 -1.26 -2.79 117.35 113.94 2i2t s TYR 16 Ca 0.01 -1.18 -0.04 0.00 -1.01 0.00 0.00 57.07 54.85 2i2t s TYR 16 Cb -0.08 -0.76 0.05 0.00 -0.11 0.00 0.00 41.96 41.05 2i2t s TYR 16 CO 0.01 -0.37 0.20 0.08 -1.11 0.00 0.00 175.55 174.36 2i2t s VAL 17 N -3.82 -0.11 0.05 0.71 1.01 -0.73 -1.76 120.40 115.75 2i2t s VAL 17 Ca 0.34 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.58 2i2t s VAL 17 Cb 0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2i2t s VAL 17 CO 0.10 0.08 -0.17 0.54 0.00 0.00 0.00 175.10 175.65 2i2t s VAL 18 N 1.48 1.39 -0.41 2.92 0.11 -0.91 0.06 120.40 125.04 2i2t s VAL 18 Ca -0.07 -1.17 -0.12 0.00 -2.93 0.00 0.00 61.98 57.69 2i2t s VAL 18 Cb -0.11 -1.25 0.05 0.00 -1.53 0.00 0.00 36.38 33.54 2i2t s VAL 18 CO -0.07 0.04 0.27 -0.62 -3.33 0.00 0.00 175.10 171.39 2i2t s ASP 19 N -1.32 5.83 -1.30 3.54 3.68 -1.26 -0.72 116.67 125.12 2i2t s ASP 19 Ca 0.04 -1.21 -0.12 0.00 2.13 0.00 0.00 52.55 53.39 2i2t s ASP 19 Cb -0.09 -2.06 0.13 0.00 -1.45 0.00 0.00 42.92 39.46 2i2t s ASP 19 CO 0.02 -0.49 1.82 0.00 0.13 0.00 0.00 175.17 176.64 2i2t n ALA 20 N 5.03 4.80 -1.77 3.66 0.00 -1.26 -4.76 120.51 126.21 2i2t n ALA 20 Ca -0.11 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.17 2i2t n ALA 20 Cb 0.45 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.71 2i2t n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2i2t n THR 21 N 4.37 0.00 0.87 0.00 -1.04 -1.26 -2.78 114.28 114.44 2i2t n THR 21 Ca 0.42 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.50 2i2t n THR 21 Cb 0.40 -0.29 0.37 0.00 -1.82 0.00 0.00 70.33 68.98 2i2t n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2i2t n GLY 22 N 3.24 -0.43 3.72 3.41 0.00 -1.26 -2.34 105.19 111.53 2i2t n GLY 22 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2i2t n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t s LYS 23 N -2.00 4.16 0.11 1.61 -0.14 -1.26 -4.41 119.74 117.81 2i2t s LYS 23 Ca 0.18 2.50 0.14 0.00 -1.36 0.00 0.00 55.97 57.43 2i2t s LYS 23 Cb 0.08 -3.10 0.63 0.00 -1.68 0.00 0.00 37.83 33.76 2i2t s LYS 23 CO 0.14 -0.67 1.43 0.25 -0.76 0.00 0.00 175.35 175.74 2i2t n THR 24 N 3.71 1.25 -0.68 2.17 -2.24 -1.26 0.96 114.28 118.18 2i2t n THR 24 Ca 0.14 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 2i2t n THR 24 Cb 0.37 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 2i2t n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2i2t n LEU 25 N -1.80 -1.10 0.00 3.22 -0.00 -1.25 -3.92 117.00 112.16 2i2t n LEU 25 Ca 0.01 1.28 0.00 0.00 -0.00 0.00 0.00 56.01 57.30 2i2t n LEU 25 Cb 0.11 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 42.77 2i2t n LEU 25 CO 0.10 -0.10 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 2i2t n GLY 26 N -1.50 1.37 0.00 -3.96 0.00 -1.26 -4.17 105.19 95.67 2i2t n GLY 26 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2i2t n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2i2t n ARG 27 N 0.00 0.01 -0.12 1.61 0.63 -1.26 0.80 116.66 118.33 2i2t n ARG 27 Ca 0.00 0.25 -0.19 0.00 -0.92 0.00 0.00 57.85 56.99 2i2t n ARG 27 Cb 0.00 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.30 2i2t n ARG 27 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2i2t n LEU 28 N -1.49 2.76 -0.08 6.15 0.00 -1.26 -4.26 117.00 118.82 2i2t n LEU 28 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 56.01 55.97 2i2t n LEU 28 Cb 0.17 -0.85 0.20 0.00 0.00 0.00 0.00 43.42 42.94 2i2t n LEU 28 CO 0.13 0.85 0.90 0.00 0.00 0.00 0.00 177.39 179.27 2i2t h ALA 29 N -0.18 1.18 0.00 1.96 0.00 -1.68 0.21 119.26 120.74 2i2t h ALA 29 Ca -0.57 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2i2t h ALA 29 Cb 1.80 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2i2t h ALA 29 CO -0.15 0.54 0.00 -2.37 0.00 0.00 0.00 179.25 177.27 2i2t n THR 30 N -4.24 1.38 -0.07 0.00 5.66 0.24 0.12 114.28 117.37 2i2t n THR 30 Ca 0.02 0.34 -0.07 0.00 -3.05 0.00 0.00 64.05 61.30 2i2t n THR 30 Cb 0.28 -1.25 -0.12 0.00 -1.55 0.00 0.00 70.33 67.69 2i2t n THR 30 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2i2t n GLU 31 N -1.42 1.53 0.06 1.09 4.07 0.48 -3.98 120.64 122.47 2i2t n GLU 31 Ca 0.02 -0.01 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 2i2t n GLU 31 Cb 0.06 -1.38 -0.05 0.00 -0.06 0.00 0.00 31.44 30.01 2i2t n GLU 31 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2i2t h LEU 32 N 0.00 -0.21 -1.99 4.31 3.38 0.18 -2.74 115.31 118.24 2i2t h LEU 32 Ca -0.39 -0.18 0.23 0.00 0.09 0.00 0.00 57.88 57.63 2i2t h LEU 32 Cb 1.87 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 2i2t h LEU 32 CO 0.02 0.32 0.60 0.00 0.09 0.00 0.00 178.44 179.47 2i2t h ALA 33 N -0.76 2.74 -0.35 1.53 0.00 0.69 1.74 119.26 124.86 2i2t h ALA 33 Ca -0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2i2t h ALA 33 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2i2t h ALA 33 CO 0.04 -1.01 -0.21 -0.09 0.00 0.00 0.00 179.25 177.98 2i2t h ARG 34 N 0.00 0.76 0.12 0.00 1.12 -1.68 -2.36 114.38 112.34 2i2t h ARG 34 Ca 0.38 -0.35 -0.19 0.00 -1.11 0.00 0.00 59.98 58.71 2i2t h ARG 34 Cb 1.57 -0.01 0.02 0.00 -0.01 0.00 0.00 29.97 31.54 2i2t h ARG 34 CO -0.00 0.97 -0.83 0.00 -3.11 0.00 0.00 179.97 177.00 2i2t h ARG 35 N 0.54 0.34 -0.83 0.20 3.08 0.47 -0.71 114.38 117.47 2i2t h ARG 35 Ca 0.07 -0.53 0.20 0.00 0.07 0.00 0.00 59.98 59.79 2i2t h ARG 35 Cb 0.77 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.96 2i2t h ARG 35 CO 0.06 1.24 0.57 -0.07 -1.07 0.00 0.00 179.97 180.69 2i2t h LEU 36 N -0.28 0.24 0.00 3.04 -0.00 0.22 0.33 115.31 118.87 2i2t h LEU 36 Ca -0.14 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2i2t h LEU 36 Cb 1.63 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 2i2t h LEU 36 CO 0.16 0.10 -0.88 -0.09 -0.00 0.00 0.00 178.44 177.73 2i2t h ARG 37 N 0.25 0.00 0.00 1.13 2.43 -1.48 -3.44 114.38 113.27 2i2t h ARG 37 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2i2t h ARG 37 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2i2t h ARG 37 CO -0.10 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.77 2i2t n GLY 38 N 1.23 0.73 0.34 2.80 0.00 0.12 -3.72 105.19 106.68 2i2t n GLY 38 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 2i2t n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2t n LYS 39 N -2.08 -0.08 -0.33 1.61 3.00 -0.31 -0.77 118.16 119.20 2i2t n LYS 39 Ca 0.00 1.46 0.04 0.00 -0.00 0.00 0.00 58.31 59.81 2i2t n LYS 39 Cb 0.00 -2.33 0.19 0.00 0.00 0.00 0.00 35.03 32.89 2i2t n LYS 39 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 2i2t h HIS 40 N 0.00 1.03 -0.08 5.64 2.07 -1.91 -3.39 115.15 118.51 2i2t h HIS 40 Ca 0.61 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 58.16 2i2t h HIS 40 Cb 1.30 -0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.95 2i2t h HIS 40 CO -0.46 0.44 0.00 1.63 -3.07 0.00 0.00 177.93 176.46 2i2t n LYS 41 N -4.65 2.20 -1.01 5.12 5.02 0.05 -4.78 118.16 120.11 2i2t n LYS 41 Ca 0.16 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.24 2i2t n LYS 41 Cb 0.29 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.34 2i2t n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i2t n ALA 42 N -3.00 5.42 0.01 7.82 0.00 -1.26 -4.76 120.51 124.73 2i2t n ALA 42 Ca 0.00 -2.07 0.09 0.00 0.00 0.00 0.00 53.44 51.45 2i2t n ALA 42 Cb 0.00 -1.48 0.13 0.00 0.00 0.00 0.00 19.45 18.10 2i2t n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2i2t n GLU 43 N 0.12 0.01 -1.16 0.00 0.00 -1.25 -4.64 120.64 113.72 2i2t n GLU 43 Ca 0.37 0.53 -0.42 0.00 0.00 0.00 0.00 57.16 57.64 2i2t n GLU 43 Cb 0.59 -1.38 -0.11 0.00 0.00 0.00 0.00 31.44 30.54 2i2t n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2i2t n TYR 44 N -2.02 0.71 0.00 4.31 9.36 -1.26 -3.88 117.16 124.39 2i2t n TYR 44 Ca 0.07 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.77 2i2t n TYR 44 Cb 0.71 -1.97 0.00 0.00 -0.63 0.00 0.00 39.34 37.45 2i2t n TYR 44 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2i2t n THR 45 N 5.91 0.00 0.02 2.97 5.66 -1.26 -4.05 114.28 123.52 2i2t n THR 45 Ca 0.51 0.00 0.22 0.00 -3.05 0.00 0.00 64.05 61.73 2i2t n THR 45 Cb -0.00 0.00 0.66 0.00 -1.55 0.00 0.00 70.33 69.44 2i2t n THR 45 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2i2t h PRO 46 N 0.00 0.00 -0.63 1.09 0.11 -1.99 0.63 132.00 131.21 2i2t h PRO 46 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2i2t h PRO 46 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2i2t h PRO 46 CO 0.00 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.40 2i2t n HIS 47 N -3.53 0.92 -3.69 0.65 1.44 -1.26 -4.78 115.22 104.97 2i2t n HIS 47 Ca 0.11 -0.35 -0.16 0.00 -2.01 0.00 0.00 57.72 55.32 2i2t n HIS 47 Cb 0.87 -0.20 -0.15 0.00 0.12 0.00 0.00 29.99 30.63 2i2t n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2i2t s VAL 48 N -1.77 -0.21 0.22 0.61 1.01 0.22 -5.10 120.40 115.37 2i2t s VAL 48 Ca 0.29 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 2i2t s VAL 48 Cb 0.19 -0.29 -0.11 0.00 0.00 0.00 0.00 36.38 36.17 2i2t s VAL 48 CO 0.12 0.13 1.57 -0.62 0.00 0.00 0.00 175.10 176.30 2i2t s ASP 49 N 2.00 6.52 0.30 3.32 2.15 -1.26 -4.86 116.67 124.83 2i2t s ASP 49 Ca -0.00 2.74 0.05 0.00 0.43 0.00 0.00 52.55 55.77 2i2t s ASP 49 Cb -0.12 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 39.86 2i2t s ASP 49 CO -0.06 -0.84 0.23 0.42 -0.17 0.00 0.00 175.17 174.76 2i2t s THR 50 N 0.61 0.02 0.21 1.71 -4.23 -1.24 -4.96 115.64 107.75 2i2t s THR 50 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2i2t s THR 50 Cb -0.45 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 70.89 2i2t s THR 50 CO 0.38 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2i2t n GLY 51 N -0.53 -1.10 0.00 3.99 0.00 -1.26 -3.41 105.19 102.88 2i2t n GLY 51 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2i2t n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i2t n ASP 52 N -3.78 0.00 -0.75 1.61 10.43 0.10 -4.68 116.55 119.48 2i2t n ASP 52 Ca -0.03 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.41 2i2t n ASP 52 Cb 0.39 0.00 0.23 0.00 1.84 0.00 0.00 41.12 43.58 2i2t n ASP 52 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2i2t n TYR 53 N 0.00 0.77 -0.54 1.24 4.01 0.13 -4.66 117.16 118.11 2i2t n TYR 53 Ca 0.00 -0.96 -0.19 0.00 -0.16 0.00 0.00 57.90 56.60 2i2t n TYR 53 Cb 0.00 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 38.72 2i2t n TYR 53 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2i2t n ILE 54 N -0.74 0.65 -3.93 -0.72 0.13 -1.26 -4.54 119.36 108.95 2i2t n ILE 54 Ca 0.21 -0.16 -0.20 0.00 -1.10 0.00 0.00 62.75 61.50 2i2t n ILE 54 Cb 0.86 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 39.49 2i2t n ILE 54 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 2i2t s ILE 55 N -0.32 0.34 0.83 9.51 -4.36 -0.72 -3.92 121.20 122.56 2i2t s ILE 55 Ca 0.26 0.05 -0.12 0.00 -0.26 0.00 0.00 60.65 60.58 2i2t s ILE 55 Cb -0.37 -0.44 0.09 0.00 1.25 0.00 0.00 42.46 42.99 2i2t s ILE 55 CO 0.21 0.21 1.12 -0.69 0.24 0.00 0.00 174.94 176.03 2i2t s VAL 56 N 1.38 2.65 0.00 8.37 1.01 0.17 -2.15 120.40 131.83 2i2t s VAL 56 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2i2t s VAL 56 Cb -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2i2t s VAL 56 CO -0.02 -0.28 0.00 -0.11 0.00 0.00 0.00 175.10 174.69 2i2t n LEU 57 N -3.51 0.00 0.00 3.92 7.94 0.10 -4.01 117.00 121.44 2i2t n LEU 57 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2i2t n LEU 57 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2i2t n LEU 57 CO 0.57 0.00 0.16 0.59 -1.11 0.00 0.00 177.39 177.60 2i2t n ASN 58 N -1.02 0.00 0.00 1.96 4.13 -1.26 -3.50 115.26 115.57 2i2t n ASN 58 Ca 0.00 0.49 0.00 0.00 1.68 0.00 0.00 54.58 56.75 2i2t n ASN 58 Cb 0.00 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 2i2t n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i2t n ALA 59 N -1.35 0.00 0.04 5.41 0.00 -1.12 -4.14 120.51 119.36 2i2t n ALA 59 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2i2t n ALA 59 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 2i2t n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2i2t n ASP 60 N 1.32 0.10 -2.62 0.00 5.75 -1.25 0.14 116.55 119.99 2i2t n ASP 60 Ca 0.00 0.42 -0.18 0.00 -0.01 0.00 0.00 54.79 55.01 2i2t n ASP 60 Cb 0.00 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 39.69 2i2t n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2i2t n LYS 61 N -1.55 2.24 -3.54 0.11 5.02 -1.26 -5.06 118.16 114.12 2i2t n LYS 61 Ca -0.00 -3.89 -0.33 0.00 -2.02 0.00 0.00 58.31 52.07 2i2t n LYS 61 Cb 0.18 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.38 2i2t n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i2t s VAL 62 N -4.21 5.05 0.67 -0.18 0.11 0.12 -4.05 120.40 117.91 2i2t s VAL 62 Ca 0.38 0.33 -0.10 0.00 -2.93 0.00 0.00 61.98 59.65 2i2t s VAL 62 Cb 0.42 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.65 2i2t s VAL 62 CO -0.08 0.07 1.05 0.00 -3.33 0.00 0.00 175.10 172.81 2i2t s ALA 63 N -1.64 2.99 0.00 1.54 0.00 0.27 -4.97 121.76 119.95 2i2t s ALA 63 Ca 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2i2t s ALA 63 Cb -0.12 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2i2t s ALA 63 CO 0.22 -1.03 0.00 1.55 0.00 0.00 0.00 175.76 176.49 2i2t n VAL 64 N -2.90 0.00 0.00 0.00 3.14 -1.25 -3.77 118.33 113.55 2i2t n VAL 64 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2i2t n VAL 64 Cb 0.57 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 2i2t n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2i2t n THR 65 N -1.99 0.00 0.00 1.55 5.66 -1.26 -4.94 114.28 113.30 2i2t n THR 65 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2i2t n THR 65 Cb 0.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 2i2t n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2i2t n GLY 66 N -2.19 3.49 0.00 1.09 0.00 -1.26 -3.63 105.19 102.69 2i2t n GLY 66 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2i2t n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i2t n ASN 67 N 4.56 0.22 0.00 1.61 2.85 -1.26 -4.82 115.26 118.42 2i2t n ASN 67 Ca 0.00 -1.05 0.00 0.00 -0.11 0.00 0.00 54.58 53.43 2i2t n ASN 67 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 2i2t n ASN 67 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2i2t n LYS 68 N -0.02 0.05 0.06 1.20 2.85 -1.24 -1.85 118.16 119.21 2i2t n LYS 68 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2i2t n LYS 68 Cb 0.27 -1.25 -0.12 0.00 -0.65 0.00 0.00 35.03 33.28 2i2t n LYS 68 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2i2t h ARG 69 N 0.00 0.02 -0.22 -1.58 2.43 -1.88 -2.56 114.38 110.60 2i2t h ARG 69 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2i2t h ARG 69 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2i2t h ARG 69 CO 0.00 0.98 0.00 0.25 -1.51 0.00 0.00 179.97 179.69 2i2t n THR 70 N -3.34 0.48 -2.71 0.20 -2.24 -0.77 -2.16 114.28 103.73 2i2t n THR 70 Ca -0.02 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.94 2i2t n THR 70 Cb 0.96 0.91 0.09 0.00 -2.10 0.00 0.00 70.33 70.19 2i2t n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2i2t n ASP 71 N 0.78 -2.08 0.00 3.42 5.68 -1.21 -4.89 116.55 118.25 2i2t n ASP 71 Ca 0.11 -3.21 0.00 0.00 -0.50 0.00 0.00 54.79 51.19 2i2t n ASP 71 Cb 0.41 1.68 0.00 0.00 -1.14 0.00 0.00 41.12 42.07 2i2t n ASP 71 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2i2t n LYS 72 N 0.25 0.00 0.00 0.11 0.00 -0.96 -4.65 118.16 112.90 2i2t n LYS 72 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 2i2t n LYS 72 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.76 2i2t n LYS 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2i2t n VAL 73 N 0.00 0.00 -2.81 3.15 0.24 -1.26 -4.89 118.33 112.75 2i2t n VAL 73 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 2i2t n VAL 73 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2i2t n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2i2t n TYR 74 N -0.22 -3.46 -4.34 6.34 4.02 -1.26 -3.90 117.16 114.33 2i2t n TYR 74 Ca 0.00 1.51 -0.23 0.00 -0.01 0.00 0.00 57.90 59.17 2i2t n TYR 74 Cb 0.00 -3.65 -0.08 0.00 -0.02 0.00 0.00 39.34 35.59 2i2t n TYR 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2i2t s TYR 75 N -1.72 2.57 0.00 -0.72 2.02 -1.26 -1.70 117.35 116.54 2i2t s TYR 75 Ca 0.05 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2i2t s TYR 75 Cb -0.01 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 2i2t s TYR 75 CO 0.70 0.63 0.00 -2.39 -1.57 0.00 0.00 175.55 172.92 2i2t n HIS 76 N -0.83 0.00 -4.46 2.71 1.44 -0.85 -5.01 115.22 108.21 2i2t n HIS 76 Ca -0.06 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.32 2i2t n HIS 76 Cb 0.60 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.58 2i2t n HIS 76 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2i2t s HIS 77 N -0.48 2.98 0.39 -1.40 2.46 -1.26 -1.80 115.29 116.18 2i2t s HIS 77 Ca 0.00 -0.39 0.34 0.00 0.47 0.00 0.00 55.06 55.47 2i2t s HIS 77 Cb 0.00 -1.94 1.68 0.00 -0.13 0.00 0.00 32.58 32.19 2i2t s HIS 77 CO 0.00 -0.09 2.13 1.79 -2.47 0.00 0.00 174.74 176.10 2i2t h THR 78 N 5.22 0.27 0.00 0.89 1.35 -1.90 -3.46 112.91 115.28 2i2t h THR 78 Ca -0.30 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2i2t h THR 78 Cb 1.19 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2i2t h THR 78 CO 0.61 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 2i2t n GLY 79 N -0.59 2.48 3.77 5.82 0.00 -1.26 -5.08 105.19 110.33 2i2t n GLY 79 Ca -0.01 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2i2t n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i2t s HIS 80 N -1.09 2.79 0.00 1.61 3.76 -1.26 -4.83 115.29 116.28 2i2t s HIS 80 Ca 0.00 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 2i2t s HIS 80 Cb 0.00 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.28 2i2t s HIS 80 CO 0.00 -1.65 0.00 1.51 -0.85 0.00 0.00 174.74 173.75 2i2t n ILE 81 N -0.64 0.00 -0.06 0.60 3.06 -1.26 -2.42 119.36 118.64 2i2t n ILE 81 Ca 0.08 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.21 2i2t n ILE 81 Cb 0.48 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.62 2i2t n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2i2t n GLY 82 N 0.00 -0.31 6.78 4.50 0.00 -1.26 -4.97 105.19 109.92 2i2t n GLY 82 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2i2t n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2t n GLY 83 N 2.10 0.54 2.49 -0.02 0.00 -1.02 -4.71 105.19 104.57 2i2t n GLY 83 Ca -0.21 0.70 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 2i2t n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2i2t n ILE 84 N 0.00 -0.06 -1.65 -0.61 0.13 -1.26 -4.83 119.36 111.08 2i2t n ILE 84 Ca 0.00 0.00 -0.44 0.00 -1.10 0.00 0.00 62.75 61.21 2i2t n ILE 84 Cb 0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 39.64 38.60 2i2t n ILE 84 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2i2t n LYS 85 N -2.52 1.79 -4.50 9.51 4.76 -0.74 -4.69 118.16 121.76 2i2t n LYS 85 Ca -0.02 0.63 -0.20 0.00 -2.87 0.00 0.00 58.31 55.85 2i2t n LYS 85 Cb 0.51 -2.15 -0.15 0.00 -1.84 0.00 0.00 35.03 31.41 2i2t n LYS 85 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2i2t s GLN 86 N -1.44 0.94 0.08 1.97 0.74 -1.26 -2.02 119.66 118.67 2i2t s GLN 86 Ca 0.60 -0.41 0.05 0.00 0.05 0.00 0.00 55.36 55.65 2i2t s GLN 86 Cb -0.64 -0.91 -0.03 0.00 1.10 0.00 0.00 33.01 32.53 2i2t s GLN 86 CO 0.59 0.24 -0.14 0.00 -0.55 0.00 0.00 175.29 175.43 2i2t s ALA 87 N -0.25 1.20 0.19 1.58 0.00 -0.69 -5.04 121.76 118.75 2i2t s ALA 87 Ca 0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 2i2t s ALA 87 Cb -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2i2t s ALA 87 CO -0.00 0.14 0.41 -0.08 0.00 0.00 0.00 175.76 176.23 2i2t s THR 88 N -1.44 5.15 0.17 0.00 -1.32 -1.26 -4.09 115.64 112.84 2i2t s THR 88 Ca -0.00 -0.10 -0.23 0.00 -1.21 0.00 0.00 61.69 60.15 2i2t s THR 88 Cb -0.09 -3.68 0.07 0.00 -1.51 0.00 0.00 72.50 67.29 2i2t s THR 88 CO 0.02 -0.10 1.59 0.15 -2.21 0.00 0.00 174.62 174.07 2i2t h PHE 89 N 2.32 -0.95 -1.14 9.09 3.04 -1.84 0.24 116.94 127.70 2i2t h PHE 89 Ca -0.47 0.06 0.34 0.00 3.98 0.00 0.00 57.97 61.89 2i2t h PHE 89 Cb 1.18 0.49 -0.12 0.00 2.56 0.00 0.00 35.95 40.06 2i2t h PHE 89 CO 0.58 -0.39 0.73 1.49 -2.02 0.00 0.00 178.31 178.70 2i2t h GLU 90 N -0.23 0.25 0.06 1.11 4.81 -1.76 0.60 114.58 119.43 2i2t h GLU 90 Ca 0.19 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.13 2i2t h GLU 90 Cb 0.55 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2i2t h GLU 90 CO -0.59 0.17 -1.34 0.93 -0.73 0.00 0.00 179.01 177.44 2i2t h GLU 91 N 0.26 0.13 -0.84 1.92 5.08 -1.00 -3.21 114.58 116.93 2i2t h GLU 91 Ca 0.70 -0.23 0.15 0.00 -1.00 0.00 0.00 59.36 58.98 2i2t h GLU 91 Cb 1.95 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 31.23 2i2t h GLU 91 CO -0.39 1.00 0.55 0.52 -1.00 0.00 0.00 179.01 179.68 2i2t h MET 92 N 0.04 0.57 0.01 2.33 2.86 0.30 0.61 114.93 121.64 2i2t h MET 92 Ca -0.16 -0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 57.21 2i2t h MET 92 Cb 1.93 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 33.47 2i2t h MET 92 CO 0.15 0.37 -0.99 0.82 1.06 0.00 0.00 176.91 178.32 2i2t h ILE 93 N 0.58 1.38 -0.26 -1.22 5.03 -1.48 -3.15 117.51 118.39 2i2t h ILE 93 Ca 0.42 -2.44 0.06 0.00 -0.12 0.00 0.00 64.86 62.78 2i2t h ILE 93 Cb 0.77 2.45 -0.07 0.00 -3.03 0.00 0.00 36.82 36.94 2i2t h ILE 93 CO -0.17 0.73 -0.29 0.00 -0.68 0.00 0.00 178.15 177.74 2i2t h ALA 94 N 0.64 -0.21 -3.31 1.87 0.00 -0.90 -3.37 119.26 113.98 2i2t h ALA 94 Ca -0.10 0.07 -0.62 0.00 0.00 0.00 0.00 54.91 54.26 2i2t h ALA 94 Cb 1.64 0.59 -0.34 0.00 0.00 0.00 0.00 17.79 19.69 2i2t h ALA 94 CO 0.18 -0.72 -0.85 -0.98 0.00 0.00 0.00 179.25 176.87 2i2t s ARG 95 N -6.03 2.53 -0.85 0.00 1.04 -0.83 -4.86 118.95 109.94 2i2t s ARG 95 Ca -0.15 -0.69 -0.03 0.00 -1.04 0.00 0.00 55.73 53.82 2i2t s ARG 95 Cb 0.12 -2.02 -0.01 0.00 -2.04 0.00 0.00 34.95 30.99 2i2t s ARG 95 CO 0.67 0.04 0.73 0.54 -0.04 0.00 0.00 175.30 177.25 2i2t n ARG 96 N 3.89 -1.50 -0.13 3.89 1.74 -1.26 -4.63 116.66 118.67 2i2t n ARG 96 Ca -0.20 1.16 -0.11 0.00 -0.77 0.00 0.00 57.85 57.93 2i2t n ARG 96 Cb 0.52 -5.07 0.01 0.00 -1.02 0.00 0.00 32.46 26.89 2i2t n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2i2t h PRO 97 N -0.19 0.93 -1.01 5.56 0.11 -1.71 -3.14 132.00 132.55 2i2t h PRO 97 Ca -0.28 -0.43 0.29 0.00 0.11 0.00 0.00 66.00 65.69 2i2t h PRO 97 Cb 1.15 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2i2t h PRO 97 CO 0.35 1.09 1.14 0.39 -0.21 0.00 0.00 178.00 180.77 2i2t n GLU 98 N -4.08 0.01 0.04 1.05 4.71 -1.26 0.98 120.64 122.08 2i2t n GLU 98 Ca -0.01 0.94 -0.09 0.00 -0.01 0.00 0.00 57.16 58.00 2i2t n GLU 98 Cb 0.50 -2.33 -0.13 0.00 -1.01 0.00 0.00 31.44 28.46 2i2t n GLU 98 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2i2t h ARG 99 N 0.00 0.03 0.00 3.49 3.08 -1.91 -2.50 114.38 116.58 2i2t h ARG 99 Ca 0.48 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2i2t h ARG 99 Cb 2.76 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.82 2i2t h ARG 99 CO -0.01 0.85 0.00 0.28 -1.07 0.00 0.00 179.97 180.03 2i2t n VAL 100 N -3.27 0.00 0.00 2.04 0.31 0.27 -0.12 118.33 117.57 2i2t n VAL 100 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2i2t n VAL 100 Cb 0.99 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2i2t n VAL 100 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2i2t n ILE 101 N -0.60 0.00 -0.10 2.52 2.08 -1.24 -4.50 119.36 117.53 2i2t n ILE 101 Ca 0.01 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.22 2i2t n ILE 101 Cb 0.00 -0.24 -0.03 0.00 -0.75 0.00 0.00 39.64 38.63 2i2t n ILE 101 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2i2t h GLU 102 N 0.00 0.49 -0.11 0.38 5.08 -0.75 -0.32 114.58 119.34 2i2t h GLU 102 Ca 0.00 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 2i2t h GLU 102 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2i2t h GLU 102 CO 0.00 0.55 -0.58 -0.84 -1.00 0.00 0.00 179.01 177.14 2i2t h ILE 103 N 0.34 1.36 0.04 3.13 -0.00 -0.80 -1.03 117.51 120.54 2i2t h ILE 103 Ca 0.10 -1.90 -0.00 0.00 -0.00 0.00 0.00 64.86 63.06 2i2t h ILE 103 Cb 0.28 1.91 -0.00 0.00 -0.00 0.00 0.00 36.82 39.01 2i2t h ILE 103 CO -0.00 0.57 -0.02 0.00 -0.00 0.00 0.00 178.15 178.70 2i2t h ALA 104 N 1.10 -0.90 -0.96 0.16 0.00 -1.62 0.28 119.26 117.33 2i2t h ALA 104 Ca -0.00 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.13 2i2t h ALA 104 Cb 1.10 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2i2t h ALA 104 CO 0.10 -0.90 0.63 -0.39 0.00 0.00 0.00 179.25 178.70 2i2t h VAL 105 N -0.06 0.61 0.55 0.00 -1.51 -1.13 0.12 116.25 114.83 2i2t h VAL 105 Ca -0.01 -0.12 -0.02 0.00 -1.23 0.00 0.00 66.70 65.32 2i2t h VAL 105 Cb 0.05 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 29.41 2i2t h VAL 105 CO 0.00 0.07 -0.47 0.50 -1.23 0.00 0.00 177.57 176.44 2i2t h LYS 106 N 0.36 -0.97 -0.50 5.19 1.63 -0.61 0.18 116.57 121.86 2i2t h LYS 106 Ca 0.51 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 2i2t h LYS 106 Cb 1.35 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 2i2t h LYS 106 CO -0.19 -0.64 0.00 0.41 -3.45 0.00 0.00 179.45 175.57 2i2t n GLY 107 N -1.56 0.65 0.00 5.01 0.00 0.94 -0.74 105.19 109.49 2i2t n GLY 107 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2i2t n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2i2t n MET 108 N 0.32 1.49 -2.09 1.61 2.81 0.46 -5.05 117.12 116.67 2i2t n MET 108 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 2i2t n MET 108 Cb 0.11 -0.90 0.10 0.00 -0.71 0.00 0.00 33.22 31.81 2i2t n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2i2t s LEU 109 N -2.59 2.71 0.00 4.03 1.43 0.08 -4.95 118.68 119.39 2i2t s LEU 109 Ca 0.00 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2i2t s LEU 109 Cb 0.00 -2.97 0.10 0.00 0.03 0.00 0.00 46.19 43.35 2i2t s LEU 109 CO 0.00 -1.89 0.68 -0.81 0.23 0.00 0.00 176.35 174.56 2i2t n PRO 110 N -3.17 0.07 0.00 1.29 -0.04 -1.26 -5.02 135.00 126.87 2i2t n PRO 110 Ca 0.10 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 2i2t n PRO 110 Cb 0.60 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 2i2t n PRO 110 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2i2t n LYS 111 N -2.27 0.00 0.00 0.54 4.01 -1.26 -3.81 118.16 115.38 2i2t n LYS 111 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2i2t n LYS 111 Cb 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.91 2i2t n LYS 111 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2i2t n GLY 112 N 0.00 -0.13 0.25 0.72 0.00 -1.26 -4.60 105.19 100.17 2i2t n GLY 112 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2i2t n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i2t h PRO 113 N 0.00 0.45 0.01 1.61 0.13 -1.99 -0.43 132.00 131.78 2i2t h PRO 113 Ca 0.00 -0.03 -0.34 0.00 -0.87 0.00 0.00 66.00 64.77 2i2t h PRO 113 Cb 0.00 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 30.97 2i2t h PRO 113 CO 0.00 0.30 -2.05 -0.11 -0.23 0.00 0.00 178.00 175.91 2i2t n LEU 114 N -4.96 0.95 0.30 1.56 0.00 -1.26 -3.19 117.00 110.40 2i2t n LEU 114 Ca 0.10 0.20 0.20 0.00 0.00 0.00 0.00 56.01 56.51 2i2t n LEU 114 Cb 0.30 0.04 1.04 0.00 0.00 0.00 0.00 43.42 44.80 2i2t n LEU 114 CO 0.22 0.53 1.10 1.23 0.00 0.00 0.00 177.39 180.47 2i2t h GLY 115 N 3.27 0.00 0.30 -3.96 0.00 -1.62 -0.19 103.07 100.87 2i2t h GLY 115 Ca -0.42 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.57 2i2t h GLY 115 CO 0.05 0.00 -2.18 -2.13 0.00 0.00 0.00 176.54 172.28 2i2t n ARG 116 N -2.94 0.67 0.25 4.80 3.00 -0.19 -4.08 116.66 118.18 2i2t n ARG 116 Ca -0.02 0.08 0.09 0.00 -0.00 0.00 0.00 57.85 58.00 2i2t n ARG 116 Cb 0.10 -1.60 0.64 0.00 0.00 0.00 0.00 32.46 31.59 2i2t n ARG 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i2t h ALA 117 N 1.01 1.60 -0.01 5.13 0.00 -1.01 -0.92 119.26 125.05 2i2t h ALA 117 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2i2t h ALA 117 Cb 2.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2i2t h ALA 117 CO 0.04 0.15 -0.28 -1.33 0.00 0.00 0.00 179.25 177.84 2i2t n MET 118 N -4.10 0.86 -0.03 0.00 2.81 -0.82 -3.87 117.12 111.98 2i2t n MET 118 Ca -0.02 -0.53 -0.13 0.00 -1.81 0.00 0.00 57.70 55.21 2i2t n MET 118 Cb 0.20 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 2i2t n MET 118 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2i2t n PHE 119 N -0.60 0.93 0.49 2.03 -0.00 -0.39 -4.00 117.46 115.92 2i2t n PHE 119 Ca 0.12 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 2i2t n PHE 119 Cb 0.36 -1.15 0.00 0.00 -0.00 0.00 0.00 39.48 38.68 2i2t n PHE 119 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 2i2t n ARG 120 N -3.15 0.49 0.00 -4.13 1.85 -0.96 -0.88 116.66 109.89 2i2t n ARG 120 Ca -0.24 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.63 2i2t n ARG 120 Cb 1.06 -1.25 -0.02 0.00 -1.05 0.00 0.00 32.46 31.20 2i2t n ARG 120 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2i2t n LYS 121 N 0.33 5.53 -3.41 2.89 5.02 -1.26 -5.00 118.16 122.27 2i2t n LYS 121 Ca 0.00 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 2i2t n LYS 121 Cb 0.14 -0.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.38 2i2t n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2i2t s LEU 122 N -2.20 4.22 -0.23 -0.35 0.20 -0.05 -4.39 118.68 115.88 2i2t s LEU 122 Ca 0.02 0.61 0.02 0.00 0.69 0.00 0.00 54.13 55.47 2i2t s LEU 122 Cb 0.03 -2.53 0.05 0.00 -0.43 0.00 0.00 46.19 43.31 2i2t s LEU 122 CO 0.18 0.00 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.57 2i2t s LYS 123 N 0.82 2.37 0.00 1.98 3.01 -1.25 -4.99 119.74 121.67 2i2t s LYS 123 Ca 0.20 -1.15 0.00 0.00 -1.01 0.00 0.00 55.97 54.01 2i2t s LYS 123 Cb -0.14 -2.75 0.00 0.00 -1.01 0.00 0.00 37.83 33.93 2i2t s LYS 123 CO 0.07 -0.47 0.00 1.33 0.51 0.00 0.00 175.35 176.79 2i2t n VAL 124 N 4.52 0.00 0.00 3.17 0.24 -1.26 0.43 118.33 125.43 2i2t n VAL 124 Ca -0.16 0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 2i2t n VAL 124 Cb 0.45 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 2i2t n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2i2t n TYR 125 N -1.88 0.00 -0.06 6.34 4.01 -1.25 -2.78 117.16 121.55 2i2t n TYR 125 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2i2t n TYR 125 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 2i2t n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2i2t h ALA 126 N 0.00 -0.00 0.00 -0.72 0.00 -1.74 -3.42 119.26 113.38 2i2t h ALA 126 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2i2t h ALA 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2i2t h ALA 126 CO 0.00 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2i2t n GLY 127 N 1.68 1.14 3.71 0.00 0.00 -1.23 -3.90 105.19 106.59 2i2t n GLY 127 Ca -0.05 0.53 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 2i2t n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i2t n ASN 128 N 0.00 -1.34 -3.19 1.61 3.02 -1.26 -4.87 115.26 109.23 2i2t n ASN 128 Ca 0.00 -0.84 0.04 0.00 -0.03 0.00 0.00 54.58 53.74 2i2t n ASN 128 Cb 0.00 -3.96 -0.04 0.00 -0.61 0.00 0.00 39.78 35.17 2i2t n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2i2t s GLU 129 N -6.00 0.04 -0.06 3.52 4.04 -1.26 -5.09 118.70 113.90 2i2t s GLU 129 Ca 0.03 0.11 -0.03 0.00 0.04 0.00 0.00 54.97 55.12 2i2t s GLU 129 Cb -0.01 0.06 0.04 0.00 0.02 0.00 0.00 34.13 34.24 2i2t s GLU 129 CO 0.82 -0.02 0.10 -3.38 -1.84 0.00 0.00 175.26 170.94 2i2t s HIS 130 N 2.12 -0.03 -1.56 4.83 -3.43 -1.26 -4.67 115.29 111.28 2i2t s HIS 130 Ca -0.00 0.39 -0.10 0.00 -0.80 0.00 0.00 55.06 54.56 2i2t s HIS 130 Cb -0.01 -0.39 -0.08 0.00 -1.43 0.00 0.00 32.58 30.66 2i2t s HIS 130 CO -0.16 -0.22 2.87 0.27 -2.00 0.00 0.00 174.74 175.51 2i2t n ASN 131 N 5.30 8.33 -0.25 7.38 6.94 -1.26 -3.76 115.26 137.94 2i2t n ASN 131 Ca -0.04 -2.55 0.01 0.00 -0.02 0.00 0.00 54.58 51.98 2i2t n ASN 131 Cb 0.50 -1.52 0.02 0.00 -2.36 0.00 0.00 39.78 36.42 2i2t n ASN 131 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2i2t n HIS 132 N 3.69 0.00 -0.16 -2.53 8.25 -1.26 -4.87 115.22 118.34 2i2t n HIS 132 Ca 0.75 -0.16 0.28 0.00 -0.26 0.00 0.00 57.72 58.33 2i2t n HIS 132 Cb 0.22 -0.05 0.72 0.00 1.12 0.00 0.00 29.99 32.01 2i2t n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i2t h ALA 133 N 0.00 2.81 0.00 -1.41 0.00 -2.02 -1.66 119.26 116.98 2i2t h ALA 133 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i2t h ALA 133 Cb 1.15 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2i2t h ALA 133 CO 0.00 -1.06 0.07 0.00 0.00 0.00 0.00 179.25 178.26 2i2t h ALA 134 N 1.57 1.05 -0.94 0.00 0.00 -1.94 -2.82 119.26 116.18 2i2t h ALA 134 Ca 0.41 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.69 2i2t h ALA 134 Cb 1.64 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 19.07 2i2t h ALA 134 CO -0.00 -0.05 0.01 1.04 0.00 0.00 0.00 179.25 180.25 2i2t n GLN 135 N -2.33 3.16 -2.02 0.00 3.00 -0.63 -5.01 117.38 113.55 2i2t n GLN 135 Ca -0.02 -3.80 -0.08 0.00 -0.01 0.00 0.00 57.00 53.09 2i2t n GLN 135 Cb 0.11 -2.28 0.01 0.00 0.00 0.00 0.00 30.24 28.07 2i2t n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2i2t n GLN 136 N -0.76 -0.43 -2.99 -1.09 1.13 -1.07 -4.76 117.38 107.42 2i2t n GLN 136 Ca 0.52 0.28 -0.40 0.00 -1.94 0.00 0.00 57.00 55.47 2i2t n GLN 136 Cb 0.76 -0.49 -0.06 0.00 0.11 0.00 0.00 30.24 30.56 2i2t n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2i2t s PRO 137 N -1.32 4.53 -0.15 -1.09 0.02 -1.26 -4.72 135.00 131.01 2i2t s PRO 137 Ca 0.06 1.11 -0.01 0.00 0.02 0.00 0.00 61.00 62.19 2i2t s PRO 137 Cb -0.01 -3.29 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 2i2t s PRO 137 CO 0.21 0.48 -0.12 1.14 -0.33 0.00 0.00 177.00 178.38 2i2t s GLN 138 N -0.80 3.35 0.39 5.54 -2.07 -1.12 -4.87 119.66 120.09 2i2t s GLN 138 Ca 0.36 -0.69 -0.23 0.00 -1.82 0.00 0.00 55.36 52.98 2i2t s GLN 138 Cb -0.22 -2.69 -0.13 0.00 -1.09 0.00 0.00 33.01 28.88 2i2t s GLN 138 CO 0.25 0.11 0.62 1.33 -1.32 0.00 0.00 175.29 176.28 2i2t n VAL 139 N 3.82 1.85 -4.68 3.63 0.24 -1.26 -1.78 118.33 120.15 2i2t n VAL 139 Ca -0.18 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.34 61.38 2i2t n VAL 139 Cb 0.52 -0.59 -0.15 0.00 -1.47 0.00 0.00 33.84 32.16 2i2t n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2i2t s LEU 140 N 1.56 2.08 -0.71 1.34 0.20 0.11 -4.70 118.68 118.57 2i2t s LEU 140 Ca 0.63 -0.36 -0.27 0.00 0.69 0.00 0.00 54.13 54.82 2i2t s LEU 140 Cb -0.63 -0.83 0.01 0.00 -0.43 0.00 0.00 46.19 44.31 2i2t s LEU 140 CO 0.58 0.17 1.51 -0.62 -0.29 0.00 0.00 176.35 177.69 2i2t s ASP 141 N -0.66 5.83 0.00 3.68 -1.08 -1.26 -4.57 116.67 118.61 2i2t s ASP 141 Ca 0.06 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 2i2t s ASP 141 Cb -0.07 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2i2t s ASP 141 CO 0.00 -2.04 0.00 -0.38 0.52 0.00 0.00 175.17 173.27