#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s GLU 2 N 0.00 3.41 -0.03 0.03 2.12 -1.26 -4.31 118.70 118.67 3i8i s GLU 2 Ca 0.00 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.97 3i8i s GLU 2 Cb 0.00 -3.88 0.01 0.00 0.26 0.00 0.00 34.13 30.52 3i8i s GLU 2 CO 0.00 -0.77 -0.04 0.71 -0.54 0.00 0.00 175.26 174.62 3i8i s TYR 3 N 2.40 0.58 0.21 5.30 1.51 -1.26 -5.09 117.35 121.01 3i8i s TYR 3 Ca 0.17 -0.13 0.09 0.00 -1.01 0.00 0.00 57.07 56.20 3i8i s TYR 3 Cb -0.16 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 3i8i s TYR 3 CO 0.15 -0.11 -0.05 1.03 -1.11 0.00 0.00 175.55 175.45 3i8i s ARG 4 N 0.53 2.18 0.00 -0.62 1.81 -1.26 -1.10 118.95 120.48 3i8i s ARG 4 Ca -0.06 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 52.64 3i8i s ARG 4 Cb -0.10 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.23 3i8i s ARG 4 CO -0.00 0.41 0.83 -0.11 -0.68 0.00 0.00 175.30 175.75 3i8i n LEU 5 N -0.32 -0.73 0.00 2.53 -0.00 -1.26 -4.85 117.00 112.37 3i8i n LEU 5 Ca -0.09 -1.66 0.00 0.00 -0.00 0.00 0.00 56.01 54.26 3i8i n LEU 5 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3i8i n LEU 5 CO 0.37 1.33 0.00 2.29 -0.00 0.00 0.00 177.39 181.39 3i8i n LYS 6 N 0.00 0.00 0.00 1.96 2.85 -1.17 -4.78 118.16 117.02 3i8i n LYS 6 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 3i8i n LYS 6 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 3i8i n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i8i n ALA 7 N 3.84 0.00 -2.53 0.58 0.00 -1.23 -4.25 120.51 116.93 3i8i n ALA 7 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3i8i n ALA 7 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3i8i n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i8i s TYR 8 N 0.00 2.59 0.39 0.00 4.12 -0.99 -3.49 117.35 119.98 3i8i s TYR 8 Ca 0.00 -0.44 -0.16 0.00 0.02 0.00 0.00 57.07 56.50 3i8i s TYR 8 Cb 0.00 -1.57 -0.09 0.00 -1.52 0.00 0.00 41.96 38.78 3i8i s TYR 8 CO 0.00 0.42 0.83 0.71 0.02 0.00 0.00 175.55 177.53 3i8i s TYR 9 N -2.50 3.39 0.09 2.71 4.12 -1.26 -0.65 117.35 123.24 3i8i s TYR 9 Ca 0.36 1.31 0.02 0.00 0.02 0.00 0.00 57.07 58.78 3i8i s TYR 9 Cb -0.00 -2.63 -0.04 0.00 -1.52 0.00 0.00 41.96 37.77 3i8i s TYR 9 CO 0.20 -0.06 -0.08 0.50 0.02 0.00 0.00 175.55 176.14 3i8i s ARG 10 N -3.36 0.77 0.00 -0.62 3.52 0.78 -4.78 118.95 115.25 3i8i s ARG 10 Ca 0.56 -1.17 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3i8i s ARG 10 Cb -0.10 -0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.00 3i8i s ARG 10 CO 0.21 0.02 0.00 -1.91 -0.81 0.00 0.00 175.30 172.81 3i8i n GLU 11 N 0.42 0.00 0.00 5.12 0.00 -1.26 -4.44 120.64 120.48 3i8i n GLU 11 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.01 3i8i n GLU 11 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.03 3i8i n GLU 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i8i n GLY 12 N 0.70 1.16 2.04 8.31 0.00 -1.26 -5.05 105.19 111.09 3i8i n GLY 12 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3i8i n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8i n GLU 13 N 0.00 -4.83 -1.75 1.61 1.02 -1.26 -4.82 120.64 110.61 3i8i n GLU 13 Ca 0.00 3.51 -0.42 0.00 -0.02 0.00 0.00 57.16 60.23 3i8i n GLU 13 Cb 0.00 -4.01 -0.03 0.00 -0.02 0.00 0.00 31.44 27.38 3i8i n GLU 13 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3i8i s LYS 14 N -0.84 4.14 0.43 3.49 -0.14 -1.26 -4.82 119.74 120.73 3i8i s LYS 14 Ca 0.00 2.57 0.21 0.00 -1.36 0.00 0.00 55.97 57.40 3i8i s LYS 14 Cb 0.00 -3.22 1.18 0.00 -1.68 0.00 0.00 37.83 34.11 3i8i s LYS 14 CO 0.00 -0.76 1.81 -1.35 -0.76 0.00 0.00 175.35 174.29 3i8i h PRO 15 N 7.27 0.31 -0.58 -1.68 0.11 -2.00 0.82 132.00 136.26 3i8i h PRO 15 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3i8i h PRO 15 Cb 1.20 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3i8i h PRO 15 CO 0.95 0.21 0.24 0.66 -0.21 0.00 0.00 178.00 179.85 3i8i h SER 16 N 0.32 0.76 0.41 -2.05 4.64 -1.98 0.37 113.55 116.02 3i8i h SER 16 Ca 0.54 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.75 3i8i h SER 16 Cb 1.52 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3i8i h SER 16 CO -0.21 0.67 -0.20 0.00 -0.87 0.00 0.00 176.83 176.23 3i8i h ALA 17 N 1.44 -1.06 -0.64 5.18 0.00 0.32 -0.26 119.26 124.25 3i8i h ALA 17 Ca 0.20 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3i8i h ALA 17 Cb 0.14 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3i8i h ALA 17 CO -0.02 -1.02 0.15 -0.07 0.00 0.00 0.00 179.25 178.29 3i8i h LEU 18 N -0.59 0.03 -0.31 0.00 4.07 -1.40 -0.33 115.31 116.77 3i8i h LEU 18 Ca -0.06 0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.09 3i8i h LEU 18 Cb 0.43 0.15 -0.08 0.00 1.08 0.00 0.00 40.66 42.24 3i8i h LEU 18 CO 0.09 0.01 -0.33 -0.09 -1.08 0.00 0.00 178.44 177.04 3i8i h ARG 19 N 0.28 -0.30 -0.41 1.13 9.65 -0.10 0.59 114.38 125.22 3i8i h ARG 19 Ca 0.34 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.21 3i8i h ARG 19 Cb 0.52 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 3i8i h ARG 19 CO -0.42 -0.20 0.12 0.00 2.80 0.00 0.00 179.97 182.27 3i8i h ARG 20 N -0.31 0.60 -0.22 0.20 3.08 -0.01 0.10 114.38 117.82 3i8i h ARG 20 Ca 0.14 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i8i h ARG 20 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3i8i h ARG 20 CO -0.48 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 3i8i n ALA 21 N -2.47 1.87 -1.08 0.04 0.00 0.04 -4.75 120.51 114.16 3i8i n ALA 21 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 21 Cb 0.18 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3i8i n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 22 N 0.11 0.48 3.32 0.00 0.00 0.02 -4.98 105.19 104.14 3i8i n GLY 22 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3i8i n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i s LYS 23 N -1.60 2.97 -0.10 1.61 -0.14 -0.29 -1.93 119.74 120.26 3i8i s LYS 23 Ca 0.00 -0.94 -0.30 0.00 -1.36 0.00 0.00 55.97 53.38 3i8i s LYS 23 Cb 0.00 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 3i8i s LYS 23 CO 0.00 -0.50 1.46 -1.17 -0.76 0.00 0.00 175.35 174.38 3i8i s LEU 24 N 1.47 4.26 1.18 3.17 2.96 -0.84 -2.83 118.68 128.06 3i8i s LEU 24 Ca 0.02 1.98 -0.14 0.00 -0.22 0.00 0.00 54.13 55.76 3i8i s LEU 24 Cb -0.18 -3.54 0.29 0.00 0.50 0.00 0.00 46.19 43.26 3i8i s LEU 24 CO 0.02 -0.84 1.03 -2.84 -1.32 0.00 0.00 176.35 172.40 3i8i s PRO 25 N 3.68 -1.07 -0.03 0.98 0.02 -1.26 -1.88 135.00 135.44 3i8i s PRO 25 Ca 0.64 0.61 -0.15 0.00 0.02 0.00 0.00 61.00 62.12 3i8i s PRO 25 Cb -0.28 -1.55 0.05 0.00 0.02 0.00 0.00 34.50 32.74 3i8i s PRO 25 CO 0.23 -3.77 0.68 0.41 -0.33 0.00 0.00 177.00 174.22 3i8i n GLY 26 N 0.47 0.33 3.40 0.52 0.00 -0.99 -2.35 105.19 106.58 3i8i n GLY 26 Ca 0.05 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 3i8i n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i s VAL 27 N -2.05 0.00 -0.11 1.61 0.11 0.13 -2.22 120.40 117.87 3i8i s VAL 27 Ca 0.16 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 3i8i s VAL 27 Cb -0.00 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 3i8i s VAL 27 CO -0.01 -0.01 -0.05 -0.04 -3.33 0.00 0.00 175.10 171.67 3i8i s MET 28 N 0.18 3.21 -0.01 1.54 -1.94 -0.17 0.03 119.30 122.15 3i8i s MET 28 Ca -0.01 -0.52 -0.28 0.00 -1.71 0.00 0.00 55.69 53.17 3i8i s MET 28 Cb -0.03 -2.77 0.09 0.00 2.01 0.00 0.00 34.83 34.13 3i8i s MET 28 CO 0.01 0.47 0.78 1.52 -0.01 0.00 0.00 175.02 177.79 3i8i s TYR 29 N -0.27 -0.49 -0.05 -0.03 -0.85 -0.62 -0.62 117.35 114.43 3i8i s TYR 29 Ca 0.04 0.58 -0.31 0.00 -0.52 0.00 0.00 57.07 56.87 3i8i s TYR 29 Cb -0.13 0.49 0.11 0.00 0.38 0.00 0.00 41.96 42.82 3i8i s TYR 29 CO 0.02 -0.60 1.04 0.54 -1.52 0.00 0.00 175.55 175.03 3i8i s ASN 30 N -1.91 -0.24 0.11 -0.18 4.22 -0.49 -1.80 114.94 114.65 3i8i s ASN 30 Ca -0.02 -0.06 0.08 0.00 -2.14 0.00 0.00 52.86 50.73 3i8i s ASN 30 Cb -0.01 0.30 0.39 0.00 1.28 0.00 0.00 41.25 43.21 3i8i s ASN 30 CO -0.03 -0.49 0.41 -1.14 -2.04 0.00 0.00 177.10 173.81 3i8i n ARG 31 N -0.24 -0.01 -0.08 3.55 0.63 -1.26 -1.58 116.66 117.66 3i8i n ARG 31 Ca -0.05 0.34 -0.16 0.00 -0.92 0.00 0.00 57.85 57.06 3i8i n ARG 31 Cb 0.61 -0.65 -0.05 0.00 0.45 0.00 0.00 32.46 32.81 3i8i n ARG 31 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i8i n HIS 32 N -3.22 0.00 -2.26 -0.14 -0.00 -1.26 -5.05 115.22 103.29 3i8i n HIS 32 Ca 0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.55 3i8i n HIS 32 Cb 0.41 -0.58 0.04 0.00 -0.00 0.00 0.00 29.99 29.86 3i8i n HIS 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3i8i s LEU 33 N -7.35 3.08 0.00 2.41 2.96 -0.62 -5.08 118.68 114.08 3i8i s LEU 33 Ca -0.26 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3i8i s LEU 33 Cb 0.08 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3i8i s LEU 33 CO 0.34 -1.23 0.00 -3.20 -1.32 0.00 0.00 176.35 170.94 3i8i n ASN 34 N -2.74 0.00 -3.71 3.68 2.85 -1.24 -1.40 115.26 112.71 3i8i n ASN 34 Ca 0.06 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.39 3i8i n ASN 34 Cb 0.58 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.52 3i8i n ASN 34 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3i8i s ARG 35 N 0.00 0.68 -0.23 1.20 0.52 0.21 -4.98 118.95 116.35 3i8i s ARG 35 Ca 0.00 0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.09 3i8i s ARG 35 Cb 0.00 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.77 3i8i s ARG 35 CO 0.00 -0.17 1.49 0.15 0.02 0.00 0.00 175.30 176.80 3i8i s LYS 36 N -0.74 3.90 0.31 3.54 1.02 -1.26 -1.00 119.74 125.50 3i8i s LYS 36 Ca -0.08 1.58 0.02 0.00 0.02 0.00 0.00 55.97 57.51 3i8i s LYS 36 Cb -0.04 -3.96 0.02 0.00 -0.52 0.00 0.00 37.83 33.34 3i8i s LYS 36 CO 0.04 -1.16 0.20 1.33 -0.92 0.00 0.00 175.35 174.84 3i8i n VAL 37 N 6.19 0.00 -3.16 3.17 0.24 -0.94 -0.16 118.33 123.66 3i8i n VAL 37 Ca 0.17 -1.25 0.05 0.00 -2.04 0.00 0.00 64.34 61.26 3i8i n VAL 37 Cb 0.45 -0.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.65 3i8i n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3i8i s TYR 38 N -1.61 -0.94 0.63 6.34 -0.85 0.18 -2.34 117.35 118.77 3i8i s TYR 38 Ca 0.15 1.02 -0.00 0.00 -0.52 0.00 0.00 57.07 57.72 3i8i s TYR 38 Cb -0.01 0.34 0.13 0.00 0.38 0.00 0.00 41.96 42.79 3i8i s TYR 38 CO 0.10 -0.51 0.87 1.33 -1.52 0.00 0.00 175.55 175.81 3i8i n VAL 39 N 5.44 0.00 -3.65 -3.49 0.24 -0.79 -2.35 118.33 113.73 3i8i n VAL 39 Ca -0.05 -1.36 -0.38 0.00 -2.04 0.00 0.00 64.34 60.52 3i8i n VAL 39 Cb 0.53 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 3i8i n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i8i s ASP 40 N -4.53 6.62 0.04 -1.34 -1.08 -1.26 -1.99 116.67 113.14 3i8i s ASP 40 Ca 0.57 0.74 -0.29 0.00 -0.52 0.00 0.00 52.55 53.06 3i8i s ASP 40 Cb -0.03 -2.18 -0.17 0.00 -1.46 0.00 0.00 42.92 39.08 3i8i s ASP 40 CO 0.38 0.35 1.37 0.25 0.52 0.00 0.00 175.17 178.04 3i8i h LEU 41 N 4.92 -0.68 -0.68 -1.34 6.46 -1.71 -1.15 115.31 121.13 3i8i h LEU 41 Ca -0.52 -0.03 0.14 0.00 -0.12 0.00 0.00 57.88 57.34 3i8i h LEU 41 Cb 1.22 0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 41.23 3i8i h LEU 41 CO 0.61 -0.37 0.18 0.58 -0.62 0.00 0.00 178.44 178.82 3i8i h VAL 42 N -0.98 0.60 -0.24 1.05 2.07 -1.96 0.66 116.25 117.46 3i8i h VAL 42 Ca -0.08 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3i8i h VAL 42 Cb 0.66 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3i8i h VAL 42 CO 0.13 0.06 -0.17 -0.33 0.02 0.00 0.00 177.57 177.28 3i8i h GLU 43 N 0.31 0.54 -0.46 1.57 4.39 -1.95 -3.06 114.58 115.91 3i8i h GLU 43 Ca 0.37 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 3i8i h GLU 43 Cb 0.59 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3i8i h GLU 43 CO -0.44 0.83 0.18 0.35 -1.16 0.00 0.00 179.01 178.77 3i8i h PHE 44 N 0.25 0.71 -0.37 4.33 3.04 -0.43 -2.88 116.94 121.60 3i8i h PHE 44 Ca 0.05 -0.06 0.08 0.00 3.98 0.00 0.00 57.97 62.02 3i8i h PHE 44 Cb 0.69 -0.21 -0.09 0.00 2.56 0.00 0.00 35.95 38.90 3i8i h PHE 44 CO 0.07 0.61 -0.32 0.22 -2.02 0.00 0.00 178.31 176.87 3i8i h ASP 45 N 0.61 -1.05 -0.97 0.41 1.82 0.33 0.16 116.42 117.73 3i8i h ASP 45 Ca 0.15 0.18 0.04 0.00 -0.39 0.00 0.00 57.03 57.02 3i8i h ASP 45 Cb 0.20 0.49 -0.06 0.00 0.68 0.00 0.00 39.33 40.64 3i8i h ASP 45 CO -0.01 -0.32 0.63 0.11 -1.61 0.00 0.00 179.24 178.03 3i8i h LYS 46 N -0.26 1.17 -0.21 0.28 1.57 -1.46 -2.69 116.57 114.96 3i8i h LYS 46 Ca 0.16 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3i8i h LYS 46 Cb 0.53 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3i8i h LYS 46 CO -0.51 0.77 -0.22 0.28 -0.57 0.00 0.00 179.45 179.20 3i8i h VAL 47 N 1.20 1.33 0.00 0.50 2.07 -1.05 -3.28 116.25 117.02 3i8i h VAL 47 Ca 0.39 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 3i8i h VAL 47 Cb 0.03 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3i8i h VAL 47 CO -0.13 0.43 -0.39 0.15 0.02 0.00 0.00 177.57 177.65 3i8i h PHE 48 N 0.21 0.00 -0.44 1.57 3.04 -0.61 -0.54 116.94 120.17 3i8i h PHE 48 Ca 0.03 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 3i8i h PHE 48 Cb 0.77 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.26 3i8i h PHE 48 CO 0.08 0.39 0.08 0.00 -2.02 0.00 0.00 178.31 176.84 3i8i h ARG 49 N 0.00 0.67 0.09 1.11 2.47 -1.54 -0.31 114.38 116.88 3i8i h ARG 49 Ca -0.00 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3i8i h ARG 49 Cb 0.77 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3i8i h ARG 49 CO 0.05 0.63 -0.04 1.96 0.56 0.00 0.00 179.97 183.13 3i8i h GLN 50 N 0.65 -0.12 0.00 0.04 1.08 -1.54 -3.42 115.11 111.80 3i8i h GLN 50 Ca 0.14 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3i8i h GLN 50 Cb 0.28 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3i8i h GLN 50 CO 0.00 -0.08 0.00 0.00 -0.95 0.00 0.00 178.83 177.80 3i8i n ALA 51 N -2.45 0.00 -2.69 3.87 0.00 -0.25 -4.93 120.51 114.06 3i8i n ALA 51 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 3i8i n ALA 51 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.51 3i8i n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i8i n SER 52 N -0.40 -7.52 -0.77 0.00 2.88 -0.13 -3.30 113.62 104.38 3i8i n SER 52 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 3i8i n SER 52 Cb 0.00 -5.04 0.00 0.00 -0.75 0.00 0.00 64.21 58.42 3i8i n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i8i n ILE 53 N 0.06 0.00 -0.00 2.46 -5.35 -1.26 -4.41 119.36 110.86 3i8i n ILE 53 Ca 0.07 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.56 3i8i n ILE 53 Cb 0.26 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.13 3i8i n ILE 53 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3i8i n HIS 54 N -0.77 0.00 -4.21 4.28 8.25 -1.21 -4.39 115.22 117.18 3i8i n HIS 54 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3i8i n HIS 54 Cb 0.01 -0.10 -0.13 0.00 1.12 0.00 0.00 29.99 30.89 3i8i n HIS 54 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3i8i s HIS 55 N -2.21 1.02 0.15 4.41 3.76 -1.26 -4.90 115.29 116.27 3i8i s HIS 55 Ca -0.01 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 3i8i s HIS 55 Cb 0.02 -0.60 -0.07 0.00 1.11 0.00 0.00 32.58 33.04 3i8i s HIS 55 CO 0.14 0.01 1.10 0.08 -0.85 0.00 0.00 174.74 175.22 3i8i s VAL 56 N -1.04 3.98 0.22 -0.90 1.01 -1.26 -4.67 120.40 117.74 3i8i s VAL 56 Ca -0.02 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.67 3i8i s VAL 56 Cb -0.08 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3i8i s VAL 56 CO 0.01 0.26 0.15 -0.63 0.00 0.00 0.00 175.10 174.89 3i8i s ILE 57 N -0.01 4.34 -0.10 2.22 1.09 0.65 -4.06 121.20 125.33 3i8i s ILE 57 Ca 0.50 -1.34 0.09 0.00 -1.10 0.00 0.00 60.65 58.81 3i8i s ILE 57 Cb -0.29 -3.29 -0.13 0.00 -1.06 0.00 0.00 42.46 37.69 3i8i s ILE 57 CO 0.33 -0.26 0.04 0.52 -0.10 0.00 0.00 174.94 175.47 3i8i n VAL 58 N -0.83 0.70 0.00 2.92 0.31 -0.26 0.27 118.33 121.45 3i8i n VAL 58 Ca -0.08 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3i8i n VAL 58 Cb 0.57 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 3i8i n VAL 58 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i8i n LEU 59 N -2.38 0.00 0.00 7.52 4.77 -1.25 -1.85 117.00 123.81 3i8i n LEU 59 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3i8i n LEU 59 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3i8i n LEU 59 CO 0.22 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.44 3i8i n GLU 60 N -0.56 0.00 0.00 3.23 0.28 -1.26 -3.06 120.64 119.27 3i8i n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i8i n GLU 60 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3i8i n GLU 60 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 3i8i n LEU 61 N 0.00 0.00 0.00 -1.84 -0.00 -1.25 -1.90 117.00 112.01 3i8i n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8i n LEU 61 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3i8i n LEU 61 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 177.39 176.58 3i8i n PRO 62 N -1.45 0.07 -2.09 1.47 -0.04 -1.23 -3.61 135.00 128.11 3i8i n PRO 62 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 3i8i n PRO 62 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 3i8i n PRO 62 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3i8i n ASP 63 N -1.38 -5.22 -1.40 3.54 2.03 -1.26 -2.78 116.55 110.08 3i8i n ASP 63 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3i8i n ASP 63 Cb 0.00 -4.29 0.00 0.00 -0.72 0.00 0.00 41.12 36.11 3i8i n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i8i n GLY 64 N -0.94 -0.18 0.00 0.27 0.00 -1.25 -4.87 105.19 98.23 3i8i n GLY 64 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3i8i n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i8i n GLN 65 N -1.37 0.24 -2.78 1.61 1.13 -1.12 -5.04 117.38 110.05 3i8i n GLN 65 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 3i8i n GLN 65 Cb 0.18 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.53 3i8i n GLN 65 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3i8i s SER 66 N -1.00 -0.40 -0.28 1.08 0.01 -0.80 -4.27 113.70 108.04 3i8i s SER 66 Ca 0.00 -0.24 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 3i8i s SER 66 Cb 0.00 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 3i8i s SER 66 CO 0.00 -0.04 0.14 -0.76 0.41 0.00 0.00 173.24 172.99 3i8i s LEU 67 N 1.83 3.84 -0.54 2.44 1.43 -0.77 -4.83 118.68 122.08 3i8i s LEU 67 Ca 0.16 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 3i8i s LEU 67 Cb 0.04 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 3i8i s LEU 67 CO -0.14 -0.07 1.64 -2.16 0.23 0.00 0.00 176.35 175.84 3i8i s PRO 68 N 1.68 3.07 0.18 1.29 0.04 -1.26 -3.93 135.00 136.07 3i8i s PRO 68 Ca 0.06 0.67 0.10 0.00 0.04 0.00 0.00 61.00 61.87 3i8i s PRO 68 Cb -0.16 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 3i8i s PRO 68 CO 0.08 -2.21 -0.22 0.95 0.04 0.00 0.00 177.00 175.64 3i8i s THR 69 N 7.26 2.13 -0.17 1.26 -4.23 0.75 -0.36 115.64 122.29 3i8i s THR 69 Ca 0.62 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 3i8i s THR 69 Cb -0.13 -1.99 0.03 0.00 1.34 0.00 0.00 72.50 71.74 3i8i s THR 69 CO 0.25 -0.18 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.78 3i8i s LEU 70 N -2.61 1.96 0.05 4.79 0.20 -0.30 0.24 118.68 123.01 3i8i s LEU 70 Ca 0.18 -0.62 -0.32 0.00 0.69 0.00 0.00 54.13 54.06 3i8i s LEU 70 Cb -0.07 -1.29 -0.11 0.00 -0.43 0.00 0.00 46.19 44.29 3i8i s LEU 70 CO 0.08 -0.06 1.87 0.55 -0.29 0.00 0.00 176.35 178.50 3i8i n VAL 71 N 4.70 0.51 0.29 1.68 3.14 -1.26 -1.76 118.33 125.62 3i8i n VAL 71 Ca -0.18 -0.09 0.05 0.00 -2.96 0.00 0.00 64.34 61.16 3i8i n VAL 71 Cb 0.49 -2.07 0.07 0.00 -1.06 0.00 0.00 33.84 31.27 3i8i n VAL 71 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i8i n ARG 72 N 6.24 1.06 0.00 1.45 0.63 -0.90 -4.17 116.66 120.98 3i8i n ARG 72 Ca 0.20 -1.35 0.00 0.00 -0.92 0.00 0.00 57.85 55.78 3i8i n ARG 72 Cb 0.36 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 32.05 3i8i n ARG 72 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3i8i n GLN 73 N 0.56 0.00 -3.89 -0.14 7.27 -1.25 -5.03 117.38 114.90 3i8i n GLN 73 Ca 0.07 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.85 3i8i n GLN 73 Cb 0.30 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.79 3i8i n GLN 73 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3i8i s VAL 74 N -0.46 1.23 -0.68 1.69 1.01 -1.26 -2.58 120.40 119.34 3i8i s VAL 74 Ca 0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 3i8i s VAL 74 Cb 0.00 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.99 3i8i s VAL 74 CO 0.00 -0.01 0.92 0.20 0.00 0.00 0.00 175.10 176.21 3i8i s ASN 75 N 1.55 6.25 0.11 3.32 0.02 0.16 -4.98 114.94 121.37 3i8i s ASN 75 Ca -0.02 -1.28 -0.14 0.00 -1.02 0.00 0.00 52.86 50.39 3i8i s ASN 75 Cb -0.17 -2.38 -0.07 0.00 0.02 0.00 0.00 41.25 38.65 3i8i s ASN 75 CO -0.07 -1.29 0.51 -1.48 0.02 0.00 0.00 177.10 174.79 3i8i s LEU 76 N 3.46 4.39 -0.39 0.60 2.34 -1.26 0.13 118.68 127.94 3i8i s LEU 76 Ca 0.21 1.05 -0.28 0.00 0.06 0.00 0.00 54.13 55.16 3i8i s LEU 76 Cb -0.17 -3.08 0.02 0.00 -0.56 0.00 0.00 46.19 42.40 3i8i s LEU 76 CO 0.06 0.17 1.05 1.51 -1.06 0.00 0.00 176.35 178.08 3i8i s ASP 77 N -1.55 6.74 0.08 1.48 1.47 0.43 -4.79 116.67 120.53 3i8i s ASP 77 Ca 0.34 0.68 -0.15 0.00 1.18 0.00 0.00 52.55 54.60 3i8i s ASP 77 Cb -0.16 -2.52 -0.03 0.00 -0.34 0.00 0.00 42.92 39.87 3i8i s ASP 77 CO 0.18 -1.02 1.03 0.29 0.68 0.00 0.00 175.17 176.34 3i8i n LYS 78 N 7.21 -0.21 -0.30 2.11 4.76 -1.26 -1.00 118.16 129.47 3i8i n LYS 78 Ca 0.11 1.02 0.13 0.00 -2.87 0.00 0.00 58.31 56.69 3i8i n LYS 78 Cb 0.48 -1.50 0.29 0.00 -1.84 0.00 0.00 35.03 32.46 3i8i n LYS 78 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3i8i h ARG 79 N 0.00 0.26 -0.13 1.97 2.43 -1.98 -2.74 114.38 114.20 3i8i h ARG 79 Ca 0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i8i h ARG 79 Cb 0.20 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3i8i h ARG 79 CO -0.46 0.18 0.00 0.54 -1.51 0.00 0.00 179.97 178.72 3i8i n ARG 80 N -5.16 2.78 -3.63 0.20 1.74 -1.01 -5.02 116.66 106.55 3i8i n ARG 80 Ca 0.21 -1.88 -0.24 0.00 -0.77 0.00 0.00 57.85 55.18 3i8i n ARG 80 Cb 0.66 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 3i8i n ARG 80 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3i8i n ARG 81 N -0.28 -0.88 -4.26 5.56 1.85 -0.17 -4.97 116.66 113.50 3i8i n ARG 81 Ca 0.07 0.31 -0.15 0.00 -1.00 0.00 0.00 57.85 57.08 3i8i n ARG 81 Cb 0.39 -1.56 -0.10 0.00 -1.05 0.00 0.00 32.46 30.14 3i8i n ARG 81 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3i8i s ARG 82 N -5.06 1.10 -0.08 2.89 6.06 -1.24 -4.95 118.95 117.68 3i8i s ARG 82 Ca 0.12 -1.47 -0.23 0.00 -2.50 0.00 0.00 55.73 51.65 3i8i s ARG 82 Cb -0.07 -0.69 -0.04 0.00 0.06 0.00 0.00 34.95 34.22 3i8i s ARG 82 CO 0.67 0.09 0.67 -2.14 -2.50 0.00 0.00 175.30 172.08 3i8i s PRO 83 N -3.74 4.42 -0.01 5.12 0.02 -1.26 -0.43 135.00 139.12 3i8i s PRO 83 Ca 0.18 0.81 0.14 0.00 0.02 0.00 0.00 61.00 62.15 3i8i s PRO 83 Cb 0.02 -3.45 -0.19 0.00 0.02 0.00 0.00 34.50 30.90 3i8i s PRO 83 CO 0.01 0.07 0.45 -0.85 -0.33 0.00 0.00 177.00 176.35 3i8i n GLU 84 N 3.79 1.30 -3.64 5.54 0.28 0.12 -4.83 120.64 123.20 3i8i n GLU 84 Ca -0.02 -0.07 -0.05 0.00 -0.16 0.00 0.00 57.16 56.85 3i8i n GLU 84 Cb 0.51 -1.27 -0.07 0.00 1.43 0.00 0.00 31.44 32.05 3i8i n GLU 84 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3i8i s HIS 85 N -2.71 -0.80 0.10 -1.84 5.04 -0.73 -4.19 115.29 110.17 3i8i s HIS 85 Ca -0.00 1.63 0.09 0.00 -1.54 0.00 0.00 55.06 55.23 3i8i s HIS 85 Cb 0.10 0.47 -0.04 0.00 0.04 0.00 0.00 32.58 33.15 3i8i s HIS 85 CO 0.60 -0.40 -0.18 0.08 -2.34 0.00 0.00 174.74 172.50 3i8i s VAL 86 N 1.36 2.84 -0.16 0.89 1.01 -0.99 -0.66 120.40 124.68 3i8i s VAL 86 Ca -0.08 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 60.43 3i8i s VAL 86 Cb -0.04 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.10 3i8i s VAL 86 CO -0.16 0.14 0.01 1.51 0.00 0.00 0.00 175.10 176.60 3i8i s ASP 87 N -2.02 2.64 -0.20 3.32 1.47 -1.07 0.20 116.67 121.01 3i8i s ASP 87 Ca 0.17 -0.64 -0.17 0.00 1.18 0.00 0.00 52.55 53.09 3i8i s ASP 87 Cb -0.11 -0.65 -0.04 0.00 -0.34 0.00 0.00 42.92 41.79 3i8i s ASP 87 CO 0.09 -0.26 0.46 -0.36 0.68 0.00 0.00 175.17 175.79 3i8i s PHE 88 N 1.82 3.37 -0.35 2.11 0.40 0.10 -2.12 117.98 123.32 3i8i s PHE 88 Ca 0.00 0.69 -0.21 0.00 -0.60 0.00 0.00 56.93 56.81 3i8i s PHE 88 Cb -0.16 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.78 3i8i s PHE 88 CO -0.07 -0.06 0.69 0.12 0.70 0.00 0.00 175.22 176.60 3i8i s PHE 89 N 1.49 3.15 0.16 0.36 5.99 -0.72 -1.58 117.98 126.82 3i8i s PHE 89 Ca 0.21 0.47 -0.31 0.00 0.00 0.00 0.00 56.93 57.31 3i8i s PHE 89 Cb -0.15 -3.20 -0.09 0.00 0.00 0.00 0.00 43.02 39.58 3i8i s PHE 89 CO 0.09 -0.64 1.38 0.08 -0.00 0.00 0.00 175.22 176.13 3i8i s VAL 90 N 2.83 3.15 0.46 3.12 1.01 -0.74 -1.15 120.40 129.07 3i8i s VAL 90 Ca 0.27 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.14 3i8i s VAL 90 Cb -0.14 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 3i8i s VAL 90 CO 0.15 0.10 0.68 -0.76 0.00 0.00 0.00 175.10 175.27 3i8i s LEU 91 N 0.49 3.62 0.00 3.92 2.01 0.52 -4.74 118.68 124.51 3i8i s LEU 91 Ca 0.61 0.27 0.00 0.00 0.01 0.00 0.00 54.13 55.03 3i8i s LEU 91 Cb -0.38 -3.15 0.00 0.00 0.01 0.00 0.00 46.19 42.67 3i8i s LEU 91 CO 0.35 -0.73 0.00 -1.54 1.01 0.00 0.00 176.35 175.44 3i8i n SER 92 N -2.10 0.00 -4.51 2.29 3.41 -1.26 -4.82 113.62 106.63 3i8i n SER 92 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.35 3i8i n SER 92 Cb 0.58 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.36 3i8i n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i8i n ASP 93 N 0.00 -0.14 0.00 4.04 5.68 -1.26 -4.64 116.55 120.23 3i8i n ASP 93 Ca 0.00 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 3i8i n ASP 93 Cb 0.00 -0.91 0.00 0.00 -1.14 0.00 0.00 41.12 39.07 3i8i n ASP 93 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i8i n GLU 94 N 7.17 0.00 -1.69 0.11 0.28 -1.26 -5.07 120.64 120.19 3i8i n GLU 94 Ca 0.62 0.00 -0.54 0.00 -0.16 0.00 0.00 57.16 57.08 3i8i n GLU 94 Cb 0.19 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.99 3i8i n GLU 94 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3i8i n PRO 95 N -0.09 1.48 -4.72 3.44 -0.04 -1.26 -4.59 135.00 129.23 3i8i n PRO 95 Ca 0.00 0.54 -0.26 0.00 -0.04 0.00 0.00 63.50 63.75 3i8i n PRO 95 Cb 0.00 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.02 3i8i n PRO 95 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i8i s VAL 96 N 3.27 1.31 0.80 0.52 1.01 -0.05 -4.89 120.40 122.36 3i8i s VAL 96 Ca 0.95 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 3i8i s VAL 96 Cb -0.94 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 34.36 3i8i s VAL 96 CO 0.59 0.39 1.13 -1.61 0.00 0.00 0.00 175.10 175.60 3i8i s GLU 97 N 0.46 1.89 -0.03 2.72 8.01 -1.26 -2.83 118.70 127.66 3i8i s GLU 97 Ca -0.12 1.43 -0.30 0.00 0.01 0.00 0.00 54.97 55.99 3i8i s GLU 97 Cb -0.15 -1.84 0.11 0.00 -4.31 0.00 0.00 34.13 27.95 3i8i s GLU 97 CO 0.04 -1.96 1.31 0.00 0.01 0.00 0.00 175.26 174.66 3i8i s MET 98 N -4.54 0.34 -0.17 1.61 0.23 -1.06 -4.93 119.30 110.77 3i8i s MET 98 Ca 0.66 -0.20 -0.03 0.00 -1.03 0.00 0.00 55.69 55.09 3i8i s MET 98 Cb -0.22 0.11 -0.02 0.00 -1.53 0.00 0.00 34.83 33.17 3i8i s MET 98 CO 0.53 -0.16 -0.07 0.71 -2.03 0.00 0.00 175.02 174.00 3i8i s TYR 99 N -2.21 2.93 -0.25 3.16 2.02 -1.26 0.32 117.35 122.06 3i8i s TYR 99 Ca 0.20 -0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 56.17 3i8i s TYR 99 Cb 0.03 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3i8i s TYR 99 CO -0.03 -0.30 0.06 0.08 -1.57 0.00 0.00 175.55 173.79 3i8i s VAL 100 N 0.82 4.14 0.93 0.71 1.01 -1.05 -4.55 120.40 122.42 3i8i s VAL 100 Ca -0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3i8i s VAL 100 Cb -0.15 -2.96 0.07 0.00 0.00 0.00 0.00 36.38 33.34 3i8i s VAL 100 CO 0.01 0.31 0.66 -0.81 0.00 0.00 0.00 175.10 175.27 3i8i n PRO 101 N 4.90 -0.33 -4.08 2.72 -0.04 -1.26 -3.37 135.00 133.54 3i8i n PRO 101 Ca -0.16 -0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 3i8i n PRO 101 Cb 0.51 -2.03 -0.07 0.00 -0.04 0.00 0.00 33.50 31.87 3i8i n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i8i s LEU 102 N -2.91 3.76 -0.60 1.53 1.43 0.22 -2.55 118.68 119.56 3i8i s LEU 102 Ca 0.60 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 3i8i s LEU 102 Cb -0.22 -2.40 0.15 0.00 0.03 0.00 0.00 46.19 43.75 3i8i s LEU 102 CO 0.64 0.19 0.38 -0.13 0.23 0.00 0.00 176.35 177.66 3i8i s ARG 103 N -2.25 2.13 0.45 1.70 1.81 0.40 -4.85 118.95 118.34 3i8i s ARG 103 Ca 0.28 -2.92 -0.25 0.00 -1.72 0.00 0.00 55.73 51.11 3i8i s ARG 103 Cb -0.12 -3.22 -0.08 0.00 -0.45 0.00 0.00 34.95 31.07 3i8i s ARG 103 CO 0.20 -1.21 1.38 1.19 -0.68 0.00 0.00 175.30 176.18 3i8i n PHE 104 N 2.55 2.51 -3.68 -0.53 0.99 -1.26 -0.66 117.46 117.38 3i8i n PHE 104 Ca 0.14 0.45 -0.04 0.00 -0.00 0.00 0.00 57.45 58.00 3i8i n PHE 104 Cb 0.34 -2.43 0.02 0.00 -1.00 0.00 0.00 39.48 36.41 3i8i n PHE 104 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 3i8i n VAL 105 N -0.30 0.00 0.00 -4.37 3.14 -1.16 -4.82 118.33 110.81 3i8i n VAL 105 Ca 0.06 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 3i8i n VAL 105 Cb 0.41 0.61 0.00 0.00 -1.06 0.00 0.00 33.84 33.80 3i8i n VAL 105 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i8i n GLY 106 N -0.46 2.15 0.00 7.55 0.00 -1.26 -3.81 105.19 109.36 3i8i n GLY 106 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3i8i n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8i n THR 107 N 0.00 0.00 -0.06 2.61 -2.24 -1.26 -4.65 114.28 108.68 3i8i n THR 107 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3i8i n THR 107 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3i8i n THR 107 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3i8i h PRO 108 N 0.00 0.35 -0.08 -0.78 0.13 -1.92 -3.46 132.00 126.23 3i8i h PRO 108 Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3i8i h PRO 108 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 3i8i h PRO 108 CO 0.00 0.64 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 3i8i n ALA 109 N -2.37 0.00 -1.82 -0.56 0.00 -1.26 -3.80 120.51 110.70 3i8i n ALA 109 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i8i n ALA 109 Cb 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3i8i n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 110 N -0.94 -3.58 3.53 0.00 0.00 -0.93 -4.46 105.19 98.81 3i8i n GLY 110 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 3i8i n GLY 110 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i8i n VAL 111 N 0.60 -2.46 0.00 1.61 0.24 -1.26 -4.00 118.33 113.06 3i8i n VAL 111 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3i8i n VAL 111 Cb 0.00 -2.19 0.00 0.00 -1.47 0.00 0.00 33.84 30.18 3i8i n VAL 111 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3i8i n ARG 112 N -2.23 3.08 0.00 7.34 -4.01 -1.25 -3.99 116.66 115.60 3i8i n ARG 112 Ca -0.25 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.56 3i8i n ARG 112 Cb 0.54 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.96 3i8i n ARG 112 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3i8i n ALA 113 N -3.00 0.00 -0.09 2.89 0.00 -1.26 -2.75 120.51 116.30 3i8i n ALA 113 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i8i n ALA 113 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3i8i n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 114 N 0.00 -0.38 3.40 0.00 0.00 -1.26 -4.17 105.19 102.77 3i8i n GLY 114 Ca 0.00 0.26 -0.49 0.00 0.00 0.00 0.00 46.02 45.79 3i8i n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 115 N -1.14 -0.28 3.90 -0.02 0.00 -1.11 -3.56 105.19 102.98 3i8i n GLY 115 Ca 0.05 1.12 -0.28 0.00 0.00 0.00 0.00 46.02 46.91 3i8i n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8i s VAL 116 N 7.78 4.93 -0.09 1.61 1.01 0.43 -4.55 120.40 131.51 3i8i s VAL 116 Ca 1.27 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 3i8i s VAL 116 Cb -1.30 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 31.03 3i8i s VAL 116 CO 0.55 -0.63 0.97 0.17 0.00 0.00 0.00 175.10 176.16 3i8i h LEU 117 N 0.83 0.05 -1.26 3.92 -0.00 -1.76 -1.79 115.31 115.29 3i8i h LEU 117 Ca -0.47 -0.80 0.00 0.00 -0.00 0.00 0.00 57.88 56.60 3i8i h LEU 117 Cb 1.20 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 3i8i h LEU 117 CO 0.63 0.84 -0.63 0.00 -0.00 0.00 0.00 178.44 179.29 3i8i n GLN 118 N -4.66 -3.58 -2.93 0.17 1.13 -1.26 -3.95 117.38 102.30 3i8i n GLN 118 Ca -0.10 2.55 -0.37 0.00 -1.94 0.00 0.00 57.00 57.14 3i8i n GLN 118 Cb 0.42 -2.96 -0.01 0.00 0.11 0.00 0.00 30.24 27.80 3i8i n GLN 118 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3i8i n GLU 119 N 1.34 4.29 -1.93 -1.09 0.28 -1.26 -4.32 120.64 117.95 3i8i n GLU 119 Ca 0.00 -4.68 -0.41 0.00 -0.16 0.00 0.00 57.16 51.91 3i8i n GLU 119 Cb 0.00 -2.41 -0.03 0.00 1.43 0.00 0.00 31.44 30.44 3i8i n GLU 119 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3i8i s ILE 120 N -3.61 3.36 0.17 3.84 -1.09 0.87 -4.53 121.20 120.21 3i8i s ILE 120 Ca 0.39 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 3i8i s ILE 120 Cb 0.16 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3i8i s ILE 120 CO -0.04 -0.45 0.00 1.41 -1.23 0.00 0.00 174.94 174.63 3i8i n HIS 121 N 11.55 -1.31 -0.46 3.97 8.25 -1.26 -3.56 115.22 132.40 3i8i n HIS 121 Ca 0.24 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 3i8i n HIS 121 Cb 0.49 -1.52 0.00 0.00 1.12 0.00 0.00 29.99 30.07 3i8i n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3i8i n ARG 122 N -1.61 -0.12 -1.43 -0.41 -4.01 -1.26 -4.97 116.66 102.85 3i8i n ARG 122 Ca 0.00 -0.22 0.00 0.00 -1.04 0.00 0.00 57.85 56.59 3i8i n ARG 122 Cb 0.11 -0.70 0.00 0.00 -3.04 0.00 0.00 32.46 28.83 3i8i n ARG 122 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3i8i n ASP 123 N -0.05 1.77 0.00 2.89 10.43 -1.26 0.71 116.55 131.05 3i8i n ASP 123 Ca 0.00 -0.76 0.00 0.00 2.57 0.00 0.00 54.79 56.60 3i8i n ASP 123 Cb 0.12 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.08 3i8i n ASP 123 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i8i n ILE 124 N -0.09 0.00 -1.70 0.53 0.13 -1.22 -4.75 119.36 112.26 3i8i n ILE 124 Ca 0.00 0.00 -0.44 0.00 -1.10 0.00 0.00 62.75 61.21 3i8i n ILE 124 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.77 3i8i n ILE 124 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 3i8i n LEU 125 N 0.00 3.62 -3.69 9.51 7.94 -1.25 -2.52 117.00 130.61 3i8i n LEU 125 Ca 0.00 1.12 -0.10 0.00 -1.11 0.00 0.00 56.01 55.92 3i8i n LEU 125 Cb 0.00 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.35 3i8i n LEU 125 CO 0.00 -0.16 0.11 0.68 -1.11 0.00 0.00 177.39 176.91 3i8i s VAL 126 N 0.29 -0.02 -0.08 1.96 -7.23 0.15 -2.26 120.40 113.21 3i8i s VAL 126 Ca 0.70 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 60.64 3i8i s VAL 126 Cb -0.59 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 3i8i s VAL 126 CO 0.45 0.03 0.98 -0.75 -0.31 0.00 0.00 175.10 175.49 3i8i s LYS 127 N 1.30 4.45 0.36 4.82 2.20 -1.23 -2.57 119.74 129.06 3i8i s LYS 127 Ca -0.08 1.35 0.01 0.00 -0.36 0.00 0.00 55.97 56.89 3i8i s LYS 127 Cb -0.07 -3.52 -0.00 0.00 -1.51 0.00 0.00 37.83 32.72 3i8i s LYS 127 CO -0.12 -0.24 0.45 0.54 -0.36 0.00 0.00 175.35 175.61 3i8i s VAL 128 N 1.74 0.00 0.08 4.02 0.11 -1.13 -3.55 120.40 121.67 3i8i s VAL 128 Ca 0.48 -1.69 0.07 0.00 -2.93 0.00 0.00 61.98 57.90 3i8i s VAL 128 Cb -0.19 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 3i8i s VAL 128 CO 0.20 0.00 -0.12 -0.94 -3.33 0.00 0.00 175.10 170.91 3i8i s SER 129 N -3.30 4.28 0.27 3.54 1.04 -1.26 -0.87 113.70 117.40 3i8i s SER 129 Ca 0.33 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.39 3i8i s SER 129 Cb -0.00 -0.81 0.58 0.00 0.10 0.00 0.00 66.02 65.88 3i8i s SER 129 CO 0.24 0.21 1.73 -0.65 0.98 0.00 0.00 173.24 175.75 3i8i h PRO 130 N 3.95 0.49 -0.60 4.02 0.11 -1.82 -2.01 132.00 136.14 3i8i h PRO 130 Ca -0.49 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.72 3i8i h PRO 130 Cb 1.16 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.06 3i8i h PRO 130 CO 0.51 0.33 -0.01 0.00 -0.21 0.00 0.00 178.00 178.61 3i8i h ARG 131 N 0.51 0.10 -2.18 1.05 3.08 -1.95 -3.23 114.38 111.76 3i8i h ARG 131 Ca 0.48 -0.01 -0.59 0.00 0.07 0.00 0.00 59.98 59.94 3i8i h ARG 131 Cb 0.77 -0.02 -0.42 0.00 0.08 0.00 0.00 29.97 30.39 3i8i h ARG 131 CO -0.43 0.07 -0.68 0.27 -1.07 0.00 0.00 179.97 178.13 3i8i n ASN 132 N -5.29 3.42 -4.48 7.04 0.23 -0.76 -5.04 115.26 110.38 3i8i n ASN 132 Ca 0.08 -3.40 -0.43 0.00 -0.53 0.00 0.00 54.58 50.30 3i8i n ASN 132 Cb 0.34 -0.64 -0.06 0.00 -2.08 0.00 0.00 39.78 37.34 3i8i n ASN 132 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3i8i s ILE 133 N -2.76 4.72 0.77 1.53 1.01 -1.18 -4.54 121.20 120.76 3i8i s ILE 133 Ca 0.41 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 3i8i s ILE 133 Cb 0.19 -4.36 0.05 0.00 0.01 0.00 0.00 42.46 38.35 3i8i s ILE 133 CO -0.05 -0.87 1.11 -0.81 0.00 0.00 0.00 174.94 174.32 3i8i n PRO 134 N 6.56 0.38 -0.12 2.79 -0.04 -1.26 -4.93 135.00 138.38 3i8i n PRO 134 Ca -0.03 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 3i8i n PRO 134 Cb 0.46 -2.36 0.15 0.00 -0.04 0.00 0.00 33.50 31.71 3i8i n PRO 134 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i8i n GLU 135 N -2.60 2.05 0.00 0.54 0.28 -1.26 -4.99 120.64 114.65 3i8i n GLU 135 Ca 0.13 -1.92 0.00 0.00 -0.16 0.00 0.00 57.16 55.21 3i8i n GLU 135 Cb 0.50 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.98 3i8i n GLU 135 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 3i8i n PHE 136 N 1.10 0.00 -4.61 -1.84 1.16 -1.26 -4.78 117.46 107.23 3i8i n PHE 136 Ca 0.14 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.47 3i8i n PHE 136 Cb 0.49 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.20 3i8i n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3i8i s ILE 137 N -2.00 1.16 0.02 1.97 1.01 -1.06 -4.99 121.20 117.32 3i8i s ILE 137 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3i8i s ILE 137 Cb 0.00 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 3i8i s ILE 137 CO 0.00 0.36 1.18 -1.61 0.00 0.00 0.00 174.94 174.87 3i8i s GLU 138 N 0.64 4.42 -0.51 2.79 2.02 -1.26 -0.45 118.70 126.35 3i8i s GLU 138 Ca -0.15 1.71 0.07 0.00 0.02 0.00 0.00 54.97 56.62 3i8i s GLU 138 Cb -0.16 -3.43 0.34 0.00 0.10 0.00 0.00 34.13 30.98 3i8i s GLU 138 CO 0.04 -0.30 0.87 0.28 0.02 0.00 0.00 175.26 176.16 3i8i n VAL 139 N 4.15 1.93 0.00 2.63 0.31 0.16 -4.39 118.33 123.12 3i8i n VAL 139 Ca 0.09 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 59.20 3i8i n VAL 139 Cb 0.47 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 3i8i n VAL 139 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3i8i n ASP 140 N -0.02 0.00 -2.16 4.52 3.85 -1.25 -3.00 116.55 118.49 3i8i n ASP 140 Ca 0.29 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.35 3i8i n ASP 140 Cb 0.48 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 3i8i n ASP 140 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3i8i n VAL 141 N 0.00 -6.94 -0.33 2.12 0.31 -1.25 -4.42 118.33 107.81 3i8i n VAL 141 Ca 0.00 0.70 0.33 0.00 -0.01 0.00 0.00 64.34 65.36 3i8i n VAL 141 Cb 0.00 -5.62 0.69 0.00 -0.91 0.00 0.00 33.84 28.01 3i8i n VAL 141 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3i8i h SER 142 N 1.29 0.11 0.00 4.52 4.64 -1.84 -3.36 113.55 118.91 3i8i h SER 142 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i8i h SER 142 Cb 0.27 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3i8i h SER 142 CO 0.08 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3i8i n GLY 143 N -1.70 -2.27 3.58 -0.77 0.00 -1.26 -3.26 105.19 99.51 3i8i n GLY 143 Ca 0.26 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3i8i n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 144 N 0.00 -3.64 -4.69 0.99 4.77 -1.26 -2.20 117.00 110.98 3i8i n LEU 144 Ca 0.00 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 3i8i n LEU 144 Cb 0.00 -2.81 -0.03 0.00 -2.33 0.00 0.00 43.42 38.25 3i8i n LEU 144 CO 0.00 0.36 1.08 -1.61 -1.33 0.00 0.00 177.39 175.89 3i8i s GLU 145 N -5.62 4.30 0.00 3.23 2.02 -1.26 -3.29 118.70 118.08 3i8i s GLU 145 Ca 0.12 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.03 3i8i s GLU 145 Cb -0.03 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.67 3i8i s GLU 145 CO 0.79 -0.53 0.00 -0.89 0.02 0.00 0.00 175.26 174.65 3i8i n ILE 146 N 4.55 0.00 -2.22 -1.63 5.41 -1.26 -3.07 119.36 121.15 3i8i n ILE 146 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.87 3i8i n ILE 146 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 3i8i n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i8i n GLY 147 N 0.00 0.57 3.33 7.39 0.00 -1.25 -4.94 105.19 110.29 3i8i n GLY 147 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 3i8i n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8i s ASP 148 N -2.99 2.99 -0.03 1.61 1.11 -1.17 -4.94 116.67 113.25 3i8i s ASP 148 Ca 0.01 -0.64 0.01 0.00 0.18 0.00 0.00 52.55 52.11 3i8i s ASP 148 Cb -0.00 -0.23 0.01 0.00 1.07 0.00 0.00 42.92 43.77 3i8i s ASP 148 CO 0.01 0.18 -0.05 -0.44 1.18 0.00 0.00 175.17 176.06 3i8i s SER 149 N -1.59 0.76 0.32 0.27 0.01 -1.26 -3.06 113.70 109.15 3i8i s SER 149 Ca 0.11 -0.11 0.09 0.00 1.31 0.00 0.00 55.95 57.35 3i8i s SER 149 Cb -0.10 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 3i8i s SER 149 CO 0.04 -0.00 0.04 -0.22 0.41 0.00 0.00 173.24 173.50 3i8i s LEU 150 N 0.47 3.10 0.00 2.44 0.20 -1.25 -4.96 118.68 118.68 3i8i s LEU 150 Ca -0.06 -0.85 0.00 0.00 0.69 0.00 0.00 54.13 53.91 3i8i s LEU 150 Cb -0.09 -1.54 0.00 0.00 -0.43 0.00 0.00 46.19 44.13 3i8i s LEU 150 CO -0.00 -0.19 0.00 1.41 -0.29 0.00 0.00 176.35 177.28 3i8i n HIS 151 N -0.99 0.00 0.00 5.38 8.25 -1.17 -3.10 115.22 123.59 3i8i n HIS 151 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3i8i n HIS 151 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3i8i n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i8i n ALA 152 N -3.00 0.33 0.00 -1.41 0.00 -1.25 -4.31 120.51 110.87 3i8i n ALA 152 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i8i n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8i n ALA 152 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i8i n SER 153 N -1.54 0.00 0.00 0.00 3.41 -1.26 -0.11 113.62 114.11 3i8i n SER 153 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i8i n SER 153 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i8i n SER 153 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i8i n ASP 154 N 0.00 0.00 0.00 4.04 10.43 -1.26 -4.90 116.55 124.86 3i8i n ASP 154 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3i8i n ASP 154 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3i8i n ASP 154 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3i8i n LEU 155 N 0.00 0.00 -0.24 0.64 4.77 0.84 -4.50 117.00 118.51 3i8i n LEU 155 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3i8i n LEU 155 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3i8i n LEU 155 CO 0.00 0.00 0.48 0.29 -1.33 0.00 0.00 177.39 176.83 3i8i n LYS 156 N 0.56 -0.06 -2.60 3.23 4.01 -1.26 -4.86 118.16 117.18 3i8i n LYS 156 Ca 0.00 1.03 -0.04 0.00 -0.51 0.00 0.00 58.31 58.79 3i8i n LYS 156 Cb 0.00 -1.57 0.01 0.00 -0.51 0.00 0.00 35.03 32.95 3i8i n LYS 156 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3i8i n LEU 157 N -5.02 -7.09 -4.02 -0.35 4.32 -1.26 -4.94 117.00 98.64 3i8i n LEU 157 Ca 0.13 0.76 -0.36 0.00 -0.02 0.00 0.00 56.01 56.51 3i8i n LEU 157 Cb 0.40 -3.03 0.04 0.00 -1.62 0.00 0.00 43.42 39.22 3i8i n LEU 157 CO -0.07 -2.30 -1.42 -2.65 -1.22 0.00 0.00 177.39 169.73 3i8i n PRO 158 N 0.04 -0.02 0.00 3.23 -0.02 -1.26 -4.63 135.00 132.33 3i8i n PRO 158 Ca 0.06 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3i8i n PRO 158 Cb 0.24 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3i8i n PRO 158 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3i8i n PRO 159 N 2.32 0.36 0.01 0.52 -0.02 -1.26 -3.88 135.00 133.05 3i8i n PRO 159 Ca -0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.46 3i8i n PRO 159 Cb 0.59 -1.24 -0.00 0.00 -0.02 0.00 0.00 33.50 32.82 3i8i n PRO 159 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3i8i h GLY 160 N 2.58 -0.04 0.00 -1.23 0.00 -1.83 -3.51 103.07 99.04 3i8i h GLY 160 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3i8i h GLY 160 CO 0.00 -0.01 0.00 -0.62 0.00 0.00 0.00 176.54 175.91 3i8i n VAL 161 N -2.42 0.00 -1.03 4.60 0.31 -1.25 -4.73 118.33 113.81 3i8i n VAL 161 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8i n VAL 161 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3i8i n VAL 161 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3i8i n GLU 162 N 0.00 0.00 -0.34 5.55 0.00 -1.23 -4.99 120.64 119.63 3i8i n GLU 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i8i n GLU 162 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3i8i n GLU 162 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3i8i n LEU 163 N 0.00 0.00 -0.45 -1.84 4.77 -1.26 -4.13 117.00 114.09 3i8i n LEU 163 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3i8i n LEU 163 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3i8i n LEU 163 CO 0.00 -0.21 0.17 0.00 -1.33 0.00 0.00 177.39 176.03 3i8i n ALA 164 N -3.00 1.41 -4.14 -1.18 0.00 -0.96 -3.47 120.51 109.17 3i8i n ALA 164 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 3i8i n ALA 164 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 3i8i n ALA 164 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i8i n VAL 165 N 0.00 0.00 -1.71 0.00 0.24 -1.26 -4.83 118.33 110.77 3i8i n VAL 165 Ca -0.05 -2.16 -0.38 0.00 -2.04 0.00 0.00 64.34 59.71 3i8i n VAL 165 Cb 0.37 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 3i8i n VAL 165 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i8i s SER 166 N -3.14 4.88 0.66 -1.34 0.15 -1.26 -4.79 113.70 108.85 3i8i s SER 166 Ca 0.35 1.06 0.19 0.00 0.70 0.00 0.00 55.95 58.25 3i8i s SER 166 Cb 0.01 -2.51 1.01 0.00 -1.71 0.00 0.00 66.02 62.82 3i8i s SER 166 CO 0.25 -2.54 1.56 -0.65 1.20 0.00 0.00 173.24 173.06 3i8i h PRO 167 N 17.37 0.00 -0.28 5.44 0.11 -2.01 1.09 132.00 153.73 3i8i h PRO 167 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i8i h PRO 167 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i8i h PRO 167 CO 1.13 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.31 3i8i n GLU 168 N -2.79 1.71 -0.22 1.05 4.71 -1.26 -3.97 120.64 119.87 3i8i n GLU 168 Ca -0.00 -1.10 -0.30 0.00 -0.01 0.00 0.00 57.16 55.74 3i8i n GLU 168 Cb 0.65 -1.28 0.29 0.00 -1.01 0.00 0.00 31.44 30.10 3i8i n GLU 168 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3i8i n GLU 169 N 0.38 -4.89 0.00 3.49 0.00 0.38 -5.05 120.64 114.94 3i8i n GLU 169 Ca 0.12 -1.45 0.00 0.00 0.00 0.00 0.00 57.16 55.83 3i8i n GLU 169 Cb 0.27 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 29.83 3i8i n GLU 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3i8i n THR 170 N -5.83 0.00 0.00 6.31 -1.04 -1.26 -4.55 114.28 107.91 3i8i n THR 170 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3i8i n THR 170 Cb 0.60 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 3i8i n THR 170 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i8i n ILE 171 N 0.00 0.00 -4.22 12.58 2.08 -1.23 -3.06 119.36 125.51 3i8i n ILE 171 Ca 0.00 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.06 3i8i n ILE 171 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 3i8i n ILE 171 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8i s ALA 172 N 0.00 3.49 0.00 -1.39 0.00 -1.18 -0.09 121.76 122.59 3i8i s ALA 172 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.83 3i8i s ALA 172 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3i8i s ALA 172 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.62 3i8i n ALA 173 N -1.18 0.00 -2.48 0.00 0.00 -1.17 -3.85 120.51 111.82 3i8i n ALA 173 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 3i8i n ALA 173 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 3i8i n ALA 173 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8i s VAL 174 N -2.00 1.07 0.00 0.00 1.01 -1.19 -4.05 120.40 115.24 3i8i s VAL 174 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 3i8i s VAL 174 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3i8i s VAL 174 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.10 176.43 3i8i n VAL 175 N -0.77 0.00 -3.79 2.92 0.24 -0.68 -3.96 118.33 112.30 3i8i n VAL 175 Ca -0.04 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.89 3i8i n VAL 175 Cb 0.66 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.90 3i8i n VAL 175 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i8i s PRO 176 N -1.55 3.26 -0.30 7.34 0.04 -1.26 -0.43 135.00 142.10 3i8i s PRO 176 Ca 0.00 -0.74 -0.33 0.00 0.04 0.00 0.00 61.00 59.98 3i8i s PRO 176 Cb 0.00 -3.29 -0.14 0.00 0.04 0.00 0.00 34.50 31.10 3i8i s PRO 176 CO 0.00 -0.35 1.08 -0.35 0.04 0.00 0.00 177.00 177.42 3i8i n PRO 177 N 4.86 0.00 0.00 0.56 -0.04 -1.26 -2.91 135.00 136.21 3i8i n PRO 177 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3i8i n PRO 177 Cb 0.49 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 3i8i n PRO 177 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i8i n GLU 178 N 2.59 0.00 0.00 0.54 0.28 -1.26 -4.73 120.64 118.06 3i8i n GLU 178 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 3i8i n GLU 178 Cb -0.03 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.84 3i8i n GLU 178 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3i8i n ASP 179 N 0.00 0.00 0.00 -1.84 9.92 -1.14 -4.70 116.55 118.79 3i8i n ASP 179 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3i8i n ASP 179 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3i8i n ASP 179 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 3i8i n VAL 180 N 0.00 0.00 -0.24 2.53 3.14 -1.26 -4.79 118.33 117.71 3i8i n VAL 180 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8i n VAL 180 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8i n VAL 180 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3i8i n GLU 181 N -0.44 0.00 0.00 1.45 2.13 -1.26 -4.20 120.64 118.32 3i8i n GLU 181 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i8i n GLU 181 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3i8i n GLU 181 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i8i n LYS 182 N 0.23 0.00 -3.21 5.31 5.02 -1.26 -3.93 118.16 120.32 3i8i n LYS 182 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i8i n LYS 182 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3i8i n LYS 182 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3i8i s LEU 183 N 0.00 -1.26 0.00 -0.35 2.34 -1.26 -4.86 118.68 113.29 3i8i s LEU 183 Ca 0.00 0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.50 3i8i s LEU 183 Cb 0.00 1.78 0.00 0.00 -0.56 0.00 0.00 46.19 47.41 3i8i s LEU 183 CO 0.00 -0.30 0.00 0.00 -1.06 0.00 0.00 176.35 174.99 3i8i n ALA 184 N 5.40 0.00 0.00 1.48 0.00 -1.25 -4.66 120.51 121.48 3i8i n ALA 184 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i8i n ALA 184 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i8i n ALA 184 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i8i n GLU 185 N 0.00 0.00 -2.16 0.00 0.00 -1.26 -4.77 120.64 112.45 3i8i n GLU 185 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 3i8i n GLU 185 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 3i8i n GLU 185 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3i8i n GLU 186 N 0.00 -1.82 0.00 5.31 2.13 -1.26 -3.70 120.64 121.29 3i8i n GLU 186 Ca 0.00 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3i8i n GLU 186 Cb 0.00 -5.35 0.00 0.00 0.27 0.00 0.00 31.44 26.36 3i8i n GLU 186 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i8i n ALA 187 N -1.32 0.00 0.00 4.31 0.00 -1.26 -4.82 120.51 117.41 3i8i n ALA 187 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i8i n ALA 187 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3i8i n ALA 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i n ALA 188 N 1.47 0.00 -2.67 0.00 0.00 -1.24 -4.85 120.51 113.22 3i8i n ALA 188 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3i8i n ALA 188 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3i8i n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i s ALA 189 N 0.00 2.92 -0.30 0.00 0.00 -1.26 -4.73 121.76 118.38 3i8i s ALA 189 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 3i8i s ALA 189 Cb 0.00 -1.24 0.19 0.00 0.00 0.00 0.00 23.12 22.07 3i8i s ALA 189 CO 0.00 0.49 0.89 -1.21 0.00 0.00 0.00 175.76 175.94 3i8i s GLU 190 N -0.54 0.29 0.00 0.00 0.41 -1.26 -3.09 118.70 114.51 3i8i s GLU 190 Ca 0.08 0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 3i8i s GLU 190 Cb -0.12 0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.39 3i8i s GLU 190 CO 0.02 -0.50 0.00 0.28 -0.49 0.00 0.00 175.26 174.57 3i8i n VAL 191 N 5.26 0.00 0.00 2.63 0.31 -1.26 -4.23 118.33 121.04 3i8i n VAL 191 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3i8i n VAL 191 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 3i8i n VAL 191 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8i n ALA 192 N -1.25 0.00 -2.30 3.52 0.00 -1.26 -4.89 120.51 114.32 3i8i n ALA 192 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3i8i n ALA 192 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8i n ALA 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8i n GLU 193 N 0.00 -1.28 -0.75 0.00 4.71 -1.18 -4.91 120.64 117.23 3i8i n GLU 193 Ca 0.00 0.68 0.02 0.00 -0.01 0.00 0.00 57.16 57.85 3i8i n GLU 193 Cb 0.00 -4.95 0.02 0.00 -1.01 0.00 0.00 31.44 25.50 3i8i n GLU 193 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3i8i n PRO 194 N -2.39 0.13 -2.52 3.49 -0.04 -1.26 -4.89 135.00 127.52 3i8i n PRO 194 Ca -0.16 -1.44 -0.08 0.00 -0.04 0.00 0.00 63.50 61.77 3i8i n PRO 194 Cb 0.62 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 3i8i n PRO 194 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i8i n GLU 195 N 0.01 -0.47 -3.54 0.54 4.07 -1.26 -4.85 120.64 115.15 3i8i n GLU 195 Ca 0.03 0.26 -0.01 0.00 -0.06 0.00 0.00 57.16 57.39 3i8i n GLU 195 Cb 0.82 -0.60 -0.05 0.00 -0.06 0.00 0.00 31.44 31.55 3i8i n GLU 195 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i8i s VAL 196 N -1.71 -0.32 0.00 6.31 0.11 -1.26 -5.02 120.40 118.50 3i8i s VAL 196 Ca 0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 3i8i s VAL 196 Cb -0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i8i s VAL 196 CO 0.25 0.00 0.00 2.30 -3.33 0.00 0.00 175.10 174.32 3i8i n ILE 197 N 4.48 0.00 -0.67 7.04 -6.64 -1.26 -4.80 119.36 117.50 3i8i n ILE 197 Ca -0.14 0.00 -0.18 0.00 -1.77 0.00 0.00 62.75 60.66 3i8i n ILE 197 Cb 0.55 0.00 0.01 0.00 -1.44 0.00 0.00 39.64 38.76 3i8i n ILE 197 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3i8i n LYS 198 N 0.00 0.00 0.00 6.28 4.01 -1.26 -4.92 118.16 122.27 3i8i n LYS 198 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i8i n LYS 198 Cb 0.00 -0.75 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 3i8i n LYS 198 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3i8i n LYS 199 N 1.72 0.00 0.00 1.97 3.00 -1.26 -5.31 118.16 118.28 3i8i n LYS 199 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3i8i n LYS 199 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.38 3i8i n LYS 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81