#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s ARG 4 N 0.00 1.75 0.00 -0.72 1.81 -1.26 -1.62 118.95 118.91 2x9s s ARG 4 Ca 0.00 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 2x9s s ARG 4 Cb 0.00 -2.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.16 2x9s s ARG 4 CO 0.00 -1.39 0.00 -0.11 -0.68 0.00 0.00 175.30 173.12 2x9s n LEU 5 N -2.79 0.00 -4.78 2.53 0.00 -1.25 -4.66 117.00 106.04 2x9s n LEU 5 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.80 2x9s n LEU 5 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.00 2x9s n LEU 5 CO 0.43 0.00 0.76 -0.54 0.00 0.00 0.00 177.39 178.04 2x9s s LYS 6 N -0.47 3.82 -0.02 1.96 1.02 -1.26 -3.79 119.74 121.00 2x9s s LYS 6 Ca 0.00 1.55 -0.08 0.00 0.02 0.00 0.00 55.97 57.45 2x9s s LYS 6 Cb 0.00 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 2x9s s LYS 6 CO 0.00 -0.44 0.18 0.00 -0.92 0.00 0.00 175.35 174.17 2x9s s ALA 7 N -1.75 -0.44 0.25 5.17 0.00 -1.14 -4.82 121.76 119.02 2x9s s ALA 7 Ca 0.64 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.77 2x9s s ALA 7 Cb -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2x9s s ALA 7 CO 0.27 -0.19 -0.05 0.71 0.00 0.00 0.00 175.76 176.50 2x9s s TYR 8 N -1.02 1.74 -0.06 0.00 1.51 -1.16 -3.62 117.35 114.73 2x9s s TYR 8 Ca -0.11 -0.77 -0.20 0.00 -1.01 0.00 0.00 57.07 54.97 2x9s s TYR 8 Cb -0.06 -0.98 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2x9s s TYR 8 CO 0.02 0.16 0.58 0.71 -1.11 0.00 0.00 175.55 175.90 2x9s s TYR 9 N -3.18 3.60 -0.20 2.71 4.12 -1.26 -2.25 117.35 120.89 2x9s s TYR 9 Ca 0.28 1.10 -0.11 0.00 0.02 0.00 0.00 57.07 58.36 2x9s s TYR 9 Cb 0.04 -2.63 -0.05 0.00 -1.52 0.00 0.00 41.96 37.80 2x9s s TYR 9 CO 0.09 0.23 0.17 0.50 0.02 0.00 0.00 175.55 176.56 2x9s s ARG 10 N 0.30 4.19 0.00 -0.62 3.52 -0.34 -4.75 118.95 121.24 2x9s s ARG 10 Ca 0.31 -0.17 0.28 0.00 -0.13 0.00 0.00 55.73 56.02 2x9s s ARG 10 Cb -0.17 -3.44 1.15 0.00 -1.56 0.00 0.00 34.95 30.93 2x9s s ARG 10 CO 0.15 0.25 1.83 0.39 -0.81 0.00 0.00 175.30 177.12 2x9s n GLU 11 N 3.65 0.29 -1.20 5.12 4.71 -1.26 -4.66 120.64 127.29 2x9s n GLU 11 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 56.92 2x9s n GLU 11 Cb 0.52 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 2x9s n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2x9s n GLY 12 N 1.39 -0.08 3.03 0.62 0.00 -1.26 -5.10 105.19 103.79 2x9s n GLY 12 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2x9s n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x9s s GLU 13 N -2.76 0.28 -0.99 1.61 2.02 -1.26 -4.99 118.70 112.61 2x9s s GLU 13 Ca 0.00 0.70 -0.06 0.00 0.02 0.00 0.00 54.97 55.63 2x9s s GLU 13 Cb 0.00 -0.20 -0.05 0.00 0.10 0.00 0.00 34.13 33.98 2x9s s GLU 13 CO 0.00 -0.44 0.86 1.63 0.02 0.00 0.00 175.26 177.33 2x9s n LYS 14 N 5.37 -1.97 0.00 1.61 5.02 -1.26 -4.59 118.16 122.34 2x9s n LYS 14 Ca -0.06 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 2x9s n LYS 14 Cb 0.50 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 2x9s n LYS 14 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2x9s n PRO 15 N -3.00 0.00 0.18 1.97 -0.02 -1.26 -0.20 135.00 132.68 2x9s n PRO 15 Ca -0.06 0.66 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 2x9s n PRO 15 Cb 0.59 -1.10 0.33 0.00 -0.02 0.00 0.00 33.50 33.30 2x9s n PRO 15 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2x9s h SER 16 N 0.00 0.00 0.01 2.55 4.64 -1.99 -1.59 113.55 117.17 2x9s h SER 16 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 2x9s h SER 16 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2x9s h SER 16 CO 0.00 0.00 -1.61 0.00 -0.87 0.00 0.00 176.83 174.35 2x9s n ALA 17 N -1.54 0.89 0.32 5.18 0.00 0.73 -3.46 120.51 122.63 2x9s n ALA 17 Ca -0.01 -0.64 0.19 0.00 0.00 0.00 0.00 53.44 52.98 2x9s n ALA 17 Cb 0.41 -0.41 1.02 0.00 0.00 0.00 0.00 19.45 20.46 2x9s n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9s h LEU 18 N -0.92 0.00 0.00 0.00 3.38 -0.02 0.32 115.31 118.07 2x9s h LEU 18 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2x9s h LEU 18 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2x9s h LEU 18 CO -0.24 0.00 -0.90 0.08 0.09 0.00 0.00 178.44 177.47 2x9s h ARG 19 N 0.00 0.00 0.14 1.13 0.11 -1.47 -2.65 114.38 111.64 2x9s h ARG 19 Ca 0.00 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.73 2x9s h ARG 19 Cb 0.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2x9s h ARG 19 CO 0.00 0.00 -1.86 0.07 0.10 0.00 0.00 179.97 178.28 2x9s h ARG 20 N 0.00 0.29 0.00 0.08 0.11 -0.49 -3.32 114.38 111.06 2x9s h ARG 20 Ca 0.00 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2x9s h ARG 20 Cb 0.94 0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2x9s h ARG 20 CO 0.00 1.24 0.09 0.00 0.10 0.00 0.00 179.97 181.39 2x9s n ALA 21 N -2.98 0.89 0.00 0.08 0.00 -0.08 -4.77 120.51 113.65 2x9s n ALA 21 Ca -0.30 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2x9s n ALA 21 Cb 1.03 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2x9s n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 22 N -1.34 1.38 3.74 0.00 0.00 -1.25 -5.10 105.19 102.62 2x9s n GLY 22 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2x9s n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s LYS 23 N 0.00 4.66 -0.25 1.61 1.02 -1.00 -2.81 119.74 122.96 2x9s s LYS 23 Ca 0.00 1.68 -0.11 0.00 0.02 0.00 0.00 55.97 57.56 2x9s s LYS 23 Cb 0.00 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 2x9s s LYS 23 CO 0.00 0.19 0.20 -1.17 -0.92 0.00 0.00 175.35 173.65 2x9s s LEU 24 N -0.71 4.09 1.02 3.17 0.20 -1.21 -3.35 118.68 121.89 2x9s s LEU 24 Ca 0.47 0.11 -0.12 0.00 0.69 0.00 0.00 54.13 55.28 2x9s s LEU 24 Cb -0.29 -2.16 0.20 0.00 -0.43 0.00 0.00 46.19 43.52 2x9s s LEU 24 CO 0.35 0.01 1.08 -2.84 -0.29 0.00 0.00 176.35 174.66 2x9s s PRO 25 N 1.34 0.20 0.00 0.98 0.02 -1.26 0.77 135.00 137.05 2x9s s PRO 25 Ca 0.09 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.11 2x9s s PRO 25 Cb -0.14 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.70 2x9s s PRO 25 CO 0.07 -3.02 0.00 0.41 -0.33 0.00 0.00 177.00 174.13 2x9s n GLY 26 N 0.05 -1.59 3.55 0.52 0.00 -0.67 -3.43 105.19 103.62 2x9s n GLY 26 Ca 0.06 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 2x9s n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s VAL 27 N -2.57 -0.00 -0.16 1.61 0.11 -0.90 -2.13 120.40 116.36 2x9s s VAL 27 Ca 0.00 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2x9s s VAL 27 Cb 0.00 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2x9s s VAL 27 CO 0.00 0.00 -0.08 0.00 -3.33 0.00 0.00 175.10 171.69 2x9s s MET 28 N 0.77 3.44 0.27 1.54 0.23 0.16 -0.56 119.30 125.15 2x9s s MET 28 Ca -0.03 -0.63 -0.03 0.00 -1.03 0.00 0.00 55.69 53.97 2x9s s MET 28 Cb -0.05 -2.81 -0.02 0.00 -1.53 0.00 0.00 34.83 30.42 2x9s s MET 28 CO -0.06 0.08 0.31 1.52 -2.03 0.00 0.00 175.02 174.85 2x9s s TYR 29 N 0.72 1.06 0.00 3.16 -0.85 0.96 0.83 117.35 123.23 2x9s s TYR 29 Ca -0.04 -1.26 0.00 0.00 -0.52 0.00 0.00 57.07 55.25 2x9s s TYR 29 Cb -0.15 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.88 2x9s s TYR 29 CO 0.02 -0.88 0.00 0.27 -1.52 0.00 0.00 175.55 173.44 2x9s n ASN 30 N -0.78 0.00 -0.33 -0.18 6.94 -0.99 -2.20 115.26 117.71 2x9s n ASN 30 Ca 0.02 -0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.26 2x9s n ASN 30 Cb 0.63 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 2x9s n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2x9s n ARG 31 N 0.00 0.83 0.00 -3.83 1.85 -1.26 -4.43 116.66 109.82 2x9s n ARG 31 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2x9s n ARG 31 Cb 0.00 -1.27 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 2x9s n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2x9s n HIS 32 N -0.11 0.00 -3.38 2.89 8.25 -1.26 -5.14 115.22 116.46 2x9s n HIS 32 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2x9s n HIS 32 Cb 0.14 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.25 2x9s n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2x9s s LEU 33 N -1.43 3.24 -0.30 2.41 2.96 -1.26 -5.14 118.68 119.16 2x9s s LEU 33 Ca 0.00 -0.80 -0.08 0.00 -0.22 0.00 0.00 54.13 53.03 2x9s s LEU 33 Cb 0.00 -1.90 0.17 0.00 0.50 0.00 0.00 46.19 44.95 2x9s s LEU 33 CO 0.00 -0.94 0.75 0.54 -1.32 0.00 0.00 176.35 175.38 2x9s s ASN 34 N -4.34 -1.03 0.22 3.68 4.22 -1.26 -2.36 114.94 114.08 2x9s s ASN 34 Ca 0.50 0.99 0.09 0.00 -2.14 0.00 0.00 52.86 52.30 2x9s s ASN 34 Cb -0.05 2.00 -0.04 0.00 1.28 0.00 0.00 41.25 44.44 2x9s s ASN 34 CO 0.30 -0.19 -0.00 -0.13 -2.04 0.00 0.00 177.10 175.04 2x9s s ARG 35 N 2.81 2.34 -0.18 3.55 1.81 0.24 -4.92 118.95 124.60 2x9s s ARG 35 Ca 0.05 -1.28 -0.09 0.00 -1.72 0.00 0.00 55.73 52.69 2x9s s ARG 35 Cb -0.12 -2.25 -0.05 0.00 -0.45 0.00 0.00 34.95 32.09 2x9s s ARG 35 CO -0.18 0.40 0.13 -1.59 -0.68 0.00 0.00 175.30 173.38 2x9s s LYS 36 N -3.34 4.04 0.30 3.54 -2.85 -1.26 0.39 119.74 120.56 2x9s s LYS 36 Ca 0.29 -0.21 0.01 0.00 -1.00 0.00 0.00 55.97 55.07 2x9s s LYS 36 Cb -0.08 -3.37 -0.02 0.00 -2.06 0.00 0.00 37.83 32.30 2x9s s LYS 36 CO 0.19 0.39 0.32 0.14 0.10 0.00 0.00 175.35 176.49 2x9s s VAL 37 N 0.11 0.00 -0.07 1.79 -7.23 -0.90 -1.20 120.40 112.88 2x9s s VAL 37 Ca 0.09 -1.84 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2x9s s VAL 37 Cb -0.11 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2x9s s VAL 37 CO -0.01 0.00 -0.02 -0.72 -0.31 0.00 0.00 175.10 174.04 2x9s s TYR 38 N -3.52 0.82 -0.37 2.82 -0.85 -0.95 -1.67 117.35 113.62 2x9s s TYR 38 Ca 0.36 -0.27 0.02 0.00 -0.52 0.00 0.00 57.07 56.66 2x9s s TYR 38 Cb 0.02 -0.85 0.11 0.00 0.38 0.00 0.00 41.96 41.63 2x9s s TYR 38 CO 0.21 -0.33 0.14 0.54 -1.52 0.00 0.00 175.55 174.58 2x9s s VAL 39 N 1.73 1.58 0.13 -3.49 0.11 0.23 -3.00 120.40 117.69 2x9s s VAL 39 Ca 0.02 -2.16 -0.08 0.00 -2.93 0.00 0.00 61.98 56.82 2x9s s VAL 39 Cb -0.13 -2.15 -0.06 0.00 -1.53 0.00 0.00 36.38 32.51 2x9s s VAL 39 CO -0.05 -0.72 0.07 -0.67 -3.33 0.00 0.00 175.10 170.40 2x9s n ASP 40 N 4.16 -0.90 -0.15 3.54 -0.08 -1.26 -3.35 116.55 118.51 2x9s n ASP 40 Ca 0.03 0.33 -0.09 0.00 -1.51 0.00 0.00 54.79 53.55 2x9s n ASP 40 Cb 0.39 -0.33 -0.00 0.00 2.34 0.00 0.00 41.12 43.52 2x9s n ASP 40 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2x9s h LEU 41 N 0.19 0.63 0.00 -2.67 3.38 -1.85 -2.87 115.31 112.10 2x9s h LEU 41 Ca -0.13 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2x9s h LEU 41 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2x9s h LEU 41 CO 0.18 0.64 0.00 0.55 0.09 0.00 0.00 178.44 179.90 2x9s n VAL 42 N -4.58 0.00 -0.19 1.22 3.14 -1.26 0.88 118.33 117.54 2x9s n VAL 42 Ca 0.01 0.45 -0.09 0.00 -2.96 0.00 0.00 64.34 61.75 2x9s n VAL 42 Cb 0.16 -0.74 0.03 0.00 -1.06 0.00 0.00 33.84 32.24 2x9s n VAL 42 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2x9s h GLU 43 N 0.00 1.03 -0.15 1.45 5.08 -1.96 -2.95 114.58 117.09 2x9s h GLU 43 Ca 0.00 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2x9s h GLU 43 Cb 0.00 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2x9s h GLU 43 CO 0.00 1.05 -0.44 0.35 -1.00 0.00 0.00 179.01 178.97 2x9s h PHE 44 N 0.93 -1.32 0.00 4.33 3.04 -1.19 0.30 116.94 123.03 2x9s h PHE 44 Ca 0.15 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2x9s h PHE 44 Cb 0.62 0.59 0.00 0.00 2.56 0.00 0.00 35.95 39.73 2x9s h PHE 44 CO 0.04 -0.43 0.00 -3.47 -2.02 0.00 0.00 178.31 172.43 2x9s n ASP 45 N -4.86 0.00 -0.26 0.41 4.64 0.25 0.90 116.55 117.64 2x9s n ASP 45 Ca -0.05 0.75 -0.03 0.00 -1.38 0.00 0.00 54.79 54.09 2x9s n ASP 45 Cb 0.30 -0.25 -0.00 0.00 -1.04 0.00 0.00 41.12 40.13 2x9s n ASP 45 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 2x9s n LYS 46 N -1.70 -0.19 0.13 -0.67 4.81 -1.11 -1.46 118.16 117.97 2x9s n LYS 46 Ca 0.00 0.99 -0.05 0.00 -0.87 0.00 0.00 58.31 58.38 2x9s n LYS 46 Cb 0.00 -1.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 2x9s n LYS 46 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2x9s h VAL 47 N 0.00 0.00 -1.25 3.15 2.07 -0.02 -3.16 116.25 117.04 2x9s h VAL 47 Ca 0.19 -0.06 0.45 0.00 0.82 0.00 0.00 66.70 68.09 2x9s h VAL 47 Cb 0.35 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.98 2x9s h VAL 47 CO -0.63 0.00 0.78 0.33 0.02 0.00 0.00 177.57 178.07 2x9s n PHE 48 N -3.10 0.76 -0.03 1.57 -0.00 0.26 0.52 117.46 117.44 2x9s n PHE 48 Ca -0.04 0.77 -0.15 0.00 -0.00 0.00 0.00 57.45 58.03 2x9s n PHE 48 Cb 0.14 -1.20 -0.11 0.00 -0.00 0.00 0.00 39.48 38.31 2x9s n PHE 48 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2x9s h ARG 49 N 0.00 0.17 0.41 -4.13 2.43 -1.42 0.17 114.38 112.01 2x9s h ARG 49 Ca 0.84 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.82 2x9s h ARG 49 Cb 2.60 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 32.20 2x9s h ARG 49 CO -0.50 0.88 -0.20 1.96 -1.51 0.00 0.00 179.97 180.60 2x9s h GLN 50 N -0.48 -0.53 0.00 0.20 4.20 -0.74 -3.39 115.11 114.37 2x9s h GLN 50 Ca -0.02 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2x9s h GLN 50 Cb 0.94 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2x9s h GLN 50 CO 0.04 -0.34 0.00 0.00 -0.67 0.00 0.00 178.83 177.86 2x9s n ALA 51 N -2.34 0.00 0.00 3.87 0.00 0.18 -5.06 120.51 117.17 2x9s n ALA 51 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2x9s n ALA 51 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2x9s n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2x9s n SER 52 N 0.00 0.00 -1.39 0.00 2.88 0.60 -4.71 113.62 111.00 2x9s n SER 52 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2x9s n SER 52 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 2x9s n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2x9s n ILE 53 N 0.00 1.26 -0.00 2.46 -5.35 -1.26 -4.67 119.36 111.79 2x9s n ILE 53 Ca 0.00 -2.43 -0.04 0.00 -0.27 0.00 0.00 62.75 60.01 2x9s n ILE 53 Cb 0.00 0.34 -0.01 0.00 -1.74 0.00 0.00 39.64 38.22 2x9s n ILE 53 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2x9s n HIS 54 N -0.37 0.00 -2.95 4.28 -0.00 -1.26 -4.71 115.22 110.21 2x9s n HIS 54 Ca 0.15 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.49 2x9s n HIS 54 Cb 0.92 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.66 2x9s n HIS 54 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2x9s s HIS 55 N -2.22 3.84 0.69 4.41 3.76 -1.26 -5.04 115.29 119.46 2x9s s HIS 55 Ca -0.09 1.64 -0.11 0.00 -0.15 0.00 0.00 55.06 56.35 2x9s s HIS 55 Cb 0.02 -2.78 0.01 0.00 1.11 0.00 0.00 32.58 30.93 2x9s s HIS 55 CO 0.13 0.43 1.06 0.08 -0.85 0.00 0.00 174.74 175.59 2x9s s VAL 56 N -1.29 4.02 0.08 -0.90 1.01 -1.26 -4.67 120.40 117.39 2x9s s VAL 56 Ca 0.40 0.67 0.02 0.00 0.00 0.00 0.00 61.98 63.07 2x9s s VAL 56 Cb -0.22 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2x9s s VAL 56 CO 0.25 -0.84 -0.07 -0.63 0.00 0.00 0.00 175.10 173.81 2x9s s ILE 57 N -3.02 0.66 0.35 2.22 1.09 -0.68 0.20 121.20 122.04 2x9s s ILE 57 Ca 0.58 -1.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.44 2x9s s ILE 57 Cb -0.14 -1.39 -0.03 0.00 -1.06 0.00 0.00 42.46 39.84 2x9s s ILE 57 CO 0.54 -0.73 0.55 -0.69 -0.10 0.00 0.00 174.94 174.51 2x9s s VAL 58 N -2.99 4.99 -0.41 2.92 1.01 -0.64 -2.52 120.40 122.77 2x9s s VAL 58 Ca 0.06 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.62 2x9s s VAL 58 Cb 0.01 -3.82 0.26 0.00 0.00 0.00 0.00 36.38 32.83 2x9s s VAL 58 CO -0.03 -0.52 0.62 0.18 0.00 0.00 0.00 175.10 175.34 2x9s n LEU 59 N -1.80 -0.42 -4.59 3.92 4.77 -1.20 -3.79 117.00 113.91 2x9s n LEU 59 Ca -0.04 -4.43 -0.42 0.00 -0.03 0.00 0.00 56.01 51.09 2x9s n LEU 59 Cb 0.56 0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 42.32 2x9s n LEU 59 CO 0.48 2.07 1.42 -1.61 -1.33 0.00 0.00 177.39 178.42 2x9s s GLU 60 N -0.89 3.28 0.75 3.23 2.02 -1.25 -4.19 118.70 121.65 2x9s s GLU 60 Ca 0.35 0.99 -0.02 0.00 0.02 0.00 0.00 54.97 56.30 2x9s s GLU 60 Cb 0.20 -4.17 0.14 0.00 0.10 0.00 0.00 34.13 30.40 2x9s s GLU 60 CO -0.13 -1.94 1.04 -0.51 0.02 0.00 0.00 175.26 173.74 2x9s s LEU 61 N 6.72 2.94 0.00 1.80 1.43 -1.24 -2.89 118.68 127.44 2x9s s LEU 61 Ca 0.68 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2x9s s LEU 61 Cb -0.16 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.18 2x9s s LEU 61 CO 0.30 -1.99 0.79 -2.65 0.23 0.00 0.00 176.35 173.03 2x9s n PRO 62 N -2.95 0.02 0.00 1.29 -0.02 -1.26 0.16 135.00 132.24 2x9s n PRO 62 Ca 0.15 0.22 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 2x9s n PRO 62 Cb 0.60 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.69 2x9s n PRO 62 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2x9s n ASP 63 N -1.23 1.04 0.00 2.55 8.00 -1.26 -4.94 116.55 120.71 2x9s n ASP 63 Ca 0.01 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2x9s n ASP 63 Cb 0.01 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2x9s n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x9s n GLY 64 N 1.46 1.17 0.88 0.44 0.00 0.42 -4.88 105.19 104.68 2x9s n GLY 64 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2x9s n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x9s n GLN 65 N 0.00 0.00 -2.77 1.61 6.02 -1.26 -4.01 117.38 116.96 2x9s n GLN 65 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2x9s n GLN 65 Cb 0.00 -0.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.96 2x9s n GLN 65 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2x9s s SER 66 N 0.00 7.12 0.01 1.08 1.04 -1.26 -4.18 113.70 117.52 2x9s s SER 66 Ca 0.24 1.38 0.08 0.00 0.48 0.00 0.00 55.95 58.13 2x9s s SER 66 Cb -0.15 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 2x9s s SER 66 CO 0.10 -0.43 -0.22 -0.76 0.98 0.00 0.00 173.24 172.91 2x9s s LEU 67 N 2.08 2.33 -0.07 2.42 1.02 -1.26 -4.85 118.68 120.35 2x9s s LEU 67 Ca 0.44 -0.46 -0.26 0.00 0.02 0.00 0.00 54.13 53.88 2x9s s LEU 67 Cb -0.17 -1.40 -0.03 0.00 0.02 0.00 0.00 46.19 44.61 2x9s s LEU 67 CO 0.15 0.29 0.80 -2.16 0.02 0.00 0.00 176.35 175.45 2x9s s PRO 68 N -1.05 4.44 0.19 1.29 0.04 -1.26 -3.21 135.00 135.45 2x9s s PRO 68 Ca 0.12 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 2x9s s PRO 68 Cb -0.10 -3.48 0.02 0.00 0.04 0.00 0.00 34.50 30.98 2x9s s PRO 68 CO 0.02 -0.05 0.45 0.95 0.04 0.00 0.00 177.00 178.41 2x9s s THR 69 N 1.13 0.04 0.01 1.26 -4.23 -1.05 -0.33 115.64 112.46 2x9s s THR 69 Ca 0.42 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.97 2x9s s THR 69 Cb -0.18 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 2x9s s THR 69 CO 0.20 -0.17 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.28 2x9s s LEU 70 N -2.90 2.07 0.03 4.79 1.43 -1.00 -1.68 118.68 121.42 2x9s s LEU 70 Ca 0.12 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2x9s s LEU 70 Cb 0.00 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 2x9s s LEU 70 CO -0.02 0.00 0.95 -0.69 0.23 0.00 0.00 176.35 176.83 2x9s s VAL 71 N -0.44 4.76 -0.21 -1.59 1.01 -1.26 -1.59 120.40 121.07 2x9s s VAL 71 Ca -0.01 2.02 0.01 0.00 0.00 0.00 0.00 61.98 64.00 2x9s s VAL 71 Cb -0.04 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.83 2x9s s VAL 71 CO -0.00 0.22 -0.02 0.54 0.00 0.00 0.00 175.10 175.84 2x9s n ARG 72 N 3.51 0.68 -3.89 2.72 5.12 -0.22 -4.81 116.66 119.77 2x9s n ARG 72 Ca 0.04 0.17 -0.18 0.00 -1.93 0.00 0.00 57.85 55.96 2x9s n ARG 72 Cb 0.50 -1.58 -0.16 0.00 -1.16 0.00 0.00 32.46 30.06 2x9s n ARG 72 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2x9s s GLN 73 N -2.53 0.30 -0.26 5.56 0.74 -1.24 -4.95 119.66 117.28 2x9s s GLN 73 Ca -0.29 0.10 -0.03 0.00 0.05 0.00 0.00 55.36 55.20 2x9s s GLN 73 Cb 0.08 -0.53 0.08 0.00 1.10 0.00 0.00 33.01 33.74 2x9s s GLN 73 CO 0.67 -0.17 0.08 0.08 -0.55 0.00 0.00 175.29 175.40 2x9s s VAL 74 N 1.21 0.46 -0.20 1.34 1.01 -1.26 0.78 120.40 123.74 2x9s s VAL 74 Ca -0.07 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 2x9s s VAL 74 Cb -0.13 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2x9s s VAL 74 CO -0.02 -0.50 0.60 0.20 0.00 0.00 0.00 175.10 175.37 2x9s s ASN 75 N 1.85 6.64 0.32 3.32 0.01 -1.05 -4.99 114.94 121.04 2x9s s ASN 75 Ca 0.05 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 2x9s s ASN 75 Cb -0.17 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.16 2x9s s ASN 75 CO -0.21 -0.26 0.00 0.18 -1.51 0.00 0.00 177.10 175.30 2x9s n LEU 76 N 5.05 0.00 -0.02 0.60 4.77 -1.26 -0.79 117.00 125.34 2x9s n LEU 76 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2x9s n LEU 76 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2x9s n LEU 76 CO 0.43 -0.49 0.49 -0.67 -1.33 0.00 0.00 177.39 175.82 2x9s n ASP 77 N -0.97 1.85 0.00 -1.43 2.03 0.15 -4.03 116.55 114.15 2x9s n ASP 77 Ca 0.00 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.23 2x9s n ASP 77 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2x9s n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2x9s n LYS 78 N -0.59 0.00 -1.58 -0.67 4.76 -1.26 -4.64 118.16 114.18 2x9s n LYS 78 Ca 0.02 0.00 -0.58 0.00 -2.87 0.00 0.00 58.31 54.88 2x9s n LYS 78 Cb 0.34 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.44 2x9s n LYS 78 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2x9s n ARG 79 N 3.44 0.76 -2.32 1.97 1.85 -1.26 -3.41 116.66 117.68 2x9s n ARG 79 Ca 0.00 0.25 -0.03 0.00 -1.00 0.00 0.00 57.85 57.07 2x9s n ARG 79 Cb 0.00 -1.98 -0.03 0.00 -1.05 0.00 0.00 32.46 29.40 2x9s n ARG 79 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2x9s n ARG 80 N 6.17 -4.07 -1.60 2.89 5.12 -1.26 -4.85 116.66 119.06 2x9s n ARG 80 Ca 0.35 3.10 -0.50 0.00 -1.93 0.00 0.00 57.85 58.87 2x9s n ARG 80 Cb 0.09 -4.31 -0.05 0.00 -1.16 0.00 0.00 32.46 27.03 2x9s n ARG 80 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2x9s n ARG 81 N 1.47 1.35 -3.64 5.56 1.74 -1.22 -4.61 116.66 117.31 2x9s n ARG 81 Ca -0.24 0.48 -0.02 0.00 -0.77 0.00 0.00 57.85 57.30 2x9s n ARG 81 Cb 0.38 -2.11 -0.04 0.00 -1.02 0.00 0.00 32.46 29.67 2x9s n ARG 81 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2x9s s ARG 82 N 0.27 0.05 0.02 5.56 3.52 -1.26 -4.94 118.95 122.17 2x9s s ARG 82 Ca 0.80 0.01 -0.06 0.00 -0.13 0.00 0.00 55.73 56.34 2x9s s ARG 82 Cb -0.87 0.03 -0.05 0.00 -1.56 0.00 0.00 34.95 32.50 2x9s s ARG 82 CO 0.47 -0.02 0.28 -1.25 -0.81 0.00 0.00 175.30 173.98 2x9s s PRO 83 N -1.21 3.59 -0.03 5.12 0.04 -1.26 0.34 135.00 141.60 2x9s s PRO 83 Ca 0.09 -0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.15 2x9s s PRO 83 Cb -0.01 -3.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.35 2x9s s PRO 83 CO -0.07 0.63 0.15 0.39 0.04 0.00 0.00 177.00 178.14 2x9s n GLU 84 N 1.01 0.85 -3.77 4.56 1.02 0.03 -4.89 120.64 119.46 2x9s n GLU 84 Ca -0.10 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.88 2x9s n GLU 84 Cb 0.53 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.69 2x9s n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2x9s s HIS 85 N -2.50 -0.01 -0.16 -0.32 2.46 -1.21 -4.24 115.29 109.31 2x9s s HIS 85 Ca -0.03 -0.33 -0.13 0.00 0.47 0.00 0.00 55.06 55.04 2x9s s HIS 85 Cb 0.05 0.25 0.05 0.00 -0.13 0.00 0.00 32.58 32.79 2x9s s HIS 85 CO 0.35 -0.81 0.42 0.14 -2.47 0.00 0.00 174.74 172.37 2x9s s VAL 86 N -3.88 -0.01 -0.18 0.89 -7.23 -1.22 -2.54 120.40 106.23 2x9s s VAL 86 Ca 0.09 0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 2x9s s VAL 86 Cb 0.01 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 2x9s s VAL 86 CO -0.05 0.01 0.02 -1.81 -0.31 0.00 0.00 175.10 172.97 2x9s s ASP 87 N 0.64 5.17 -0.23 4.85 1.11 0.23 -2.11 116.67 126.33 2x9s s ASP 87 Ca -0.03 -0.06 -0.06 0.00 0.18 0.00 0.00 52.55 52.57 2x9s s ASP 87 Cb -0.05 -1.88 -0.02 0.00 1.07 0.00 0.00 42.92 42.04 2x9s s ASP 87 CO -0.04 0.13 0.02 -0.36 1.18 0.00 0.00 175.17 176.11 2x9s s PHE 88 N 0.59 3.05 -0.44 4.23 2.99 0.28 -1.06 117.98 127.62 2x9s s PHE 88 Ca 0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 56.93 56.24 2x9s s PHE 88 Cb -0.14 -2.16 0.04 0.00 0.00 0.00 0.00 43.02 40.77 2x9s s PHE 88 CO 0.02 -0.35 0.38 0.12 -0.00 0.00 0.00 175.22 175.39 2x9s s PHE 89 N 1.38 3.22 0.80 0.36 5.99 -0.62 -0.03 117.98 129.06 2x9s s PHE 89 Ca 0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 56.93 56.20 2x9s s PHE 89 Cb -0.15 -2.92 0.07 0.00 0.00 0.00 0.00 43.02 40.03 2x9s s PHE 89 CO 0.02 -0.72 1.09 0.08 -0.00 0.00 0.00 175.22 175.69 2x9s s VAL 90 N 1.81 3.20 0.00 3.12 1.01 -0.94 -2.39 120.40 126.22 2x9s s VAL 90 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2x9s s VAL 90 Cb -0.21 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2x9s s VAL 90 CO 0.10 -0.51 0.00 0.18 0.00 0.00 0.00 175.10 174.87 2x9s n LEU 91 N -3.59 0.00 0.00 3.92 4.77 0.55 -4.86 117.00 117.78 2x9s n LEU 91 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2x9s n LEU 91 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2x9s n LEU 91 CO 0.54 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 175.06 2x9s n SER 92 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -4.85 113.62 109.49 2x9s n SER 92 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2x9s n SER 92 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2x9s n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2x9s n ASP 93 N 0.00 0.68 -4.67 4.04 3.85 -1.26 -4.66 116.55 114.53 2x9s n ASP 93 Ca 0.00 -1.13 -0.42 0.00 -0.71 0.00 0.00 54.79 52.52 2x9s n ASP 93 Cb 0.00 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.74 2x9s n ASP 93 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 2x9s s GLU 94 N -0.13 4.18 -0.04 0.11 2.56 -1.26 -4.61 118.70 119.52 2x9s s GLU 94 Ca 0.00 2.28 -0.30 0.00 0.00 0.00 0.00 54.97 56.95 2x9s s GLU 94 Cb 0.00 -3.92 -0.03 0.00 2.00 0.00 0.00 34.13 32.18 2x9s s GLU 94 CO 0.00 -0.83 1.14 -1.25 -0.56 0.00 0.00 175.26 173.76 2x9s s PRO 95 N 3.75 4.41 0.18 4.30 0.04 -1.26 -4.22 135.00 142.20 2x9s s PRO 95 Ca 0.76 1.61 0.04 0.00 0.04 0.00 0.00 61.00 63.44 2x9s s PRO 95 Cb -0.36 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.66 2x9s s PRO 95 CO 0.32 -0.34 0.16 1.55 0.04 0.00 0.00 177.00 178.73 2x9s n VAL 96 N 4.39 0.00 -2.76 -0.36 3.14 -0.85 -4.81 118.33 117.07 2x9s n VAL 96 Ca 0.10 -1.29 -0.15 0.00 -2.96 0.00 0.00 64.34 60.03 2x9s n VAL 96 Cb 0.47 0.65 0.07 0.00 -1.06 0.00 0.00 33.84 33.97 2x9s n VAL 96 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2x9s n GLU 97 N -0.34 0.40 0.00 1.45 4.71 -1.26 0.45 120.64 126.05 2x9s n GLU 97 Ca 0.04 -2.09 0.00 0.00 -0.01 0.00 0.00 57.16 55.10 2x9s n GLU 97 Cb 0.32 -0.33 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2x9s n GLU 97 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2x9s n MET 98 N -2.12 0.00 -2.44 3.49 0.00 -1.06 -4.89 117.12 110.11 2x9s n MET 98 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.39 2x9s n MET 98 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.62 2x9s n MET 98 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2x9s s TYR 99 N -0.32 2.78 -0.16 3.17 4.12 -1.26 -1.86 117.35 123.82 2x9s s TYR 99 Ca 0.00 0.95 -0.19 0.00 0.02 0.00 0.00 57.07 57.85 2x9s s TYR 99 Cb 0.00 -3.73 -0.03 0.00 -1.52 0.00 0.00 41.96 36.67 2x9s s TYR 99 CO 0.00 -1.63 0.53 0.08 0.02 0.00 0.00 175.55 174.55 2x9s s VAL 100 N 4.00 5.12 0.68 0.71 1.01 0.51 -4.73 120.40 127.70 2x9s s VAL 100 Ca 0.55 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 63.42 2x9s s VAL 100 Cb -0.18 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 2x9s s VAL 100 CO 0.19 0.23 -0.50 -2.65 0.00 0.00 0.00 175.10 172.36 2x9s n PRO 101 N 4.36 0.00 -3.70 2.72 -0.02 -1.26 -2.92 135.00 134.18 2x9s n PRO 101 Ca -0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.24 2x9s n PRO 101 Cb 0.51 -0.77 -0.18 0.00 -0.02 0.00 0.00 33.50 33.05 2x9s n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x9s s LEU 102 N 5.62 0.38 0.10 2.45 1.02 -1.17 -3.18 118.68 123.89 2x9s s LEU 102 Ca 0.34 0.06 0.04 0.00 0.02 0.00 0.00 54.13 54.59 2x9s s LEU 102 Cb -0.19 -0.14 -0.04 0.00 0.02 0.00 0.00 46.19 45.84 2x9s s LEU 102 CO 0.61 -0.22 0.04 -0.60 0.02 0.00 0.00 176.35 176.20 2x9s s ARG 103 N 1.91 2.69 -0.47 1.70 3.52 -1.25 -4.94 118.95 122.11 2x9s s ARG 103 Ca 0.02 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 2x9s s ARG 103 Cb -0.12 -2.61 0.31 0.00 -1.56 0.00 0.00 34.95 30.97 2x9s s ARG 103 CO -0.03 0.54 0.73 1.19 -0.81 0.00 0.00 175.30 176.92 2x9s n PHE 104 N 0.41 1.50 -1.63 5.12 3.72 -1.26 -0.83 117.46 124.49 2x9s n PHE 104 Ca -0.10 -3.85 -0.50 0.00 -0.05 0.00 0.00 57.45 52.95 2x9s n PHE 104 Cb 0.52 -0.44 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 2x9s n PHE 104 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2x9s n VAL 105 N 0.53 0.02 0.00 -4.37 3.14 -1.21 -4.60 118.33 111.84 2x9s n VAL 105 Ca 0.26 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 2x9s n VAL 105 Cb 0.53 -1.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 2x9s n VAL 105 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2x9s n GLY 106 N 2.95 0.68 2.64 7.55 0.00 -1.26 -2.84 105.19 114.92 2x9s n GLY 106 Ca 0.18 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 2x9s n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x9s s THR 107 N -1.30 -0.22 0.86 2.61 2.01 -1.26 -4.83 115.64 113.50 2x9s s THR 107 Ca 0.00 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 2x9s s THR 107 Cb 0.00 -0.96 0.07 0.00 0.01 0.00 0.00 72.50 71.62 2x9s s THR 107 CO 0.00 -0.58 0.85 -0.81 -0.69 0.00 0.00 174.62 173.39 2x9s n PRO 108 N 5.28 -0.09 0.00 4.92 -0.04 -1.22 -4.50 135.00 139.35 2x9s n PRO 108 Ca -0.04 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2x9s n PRO 108 Cb 0.44 -2.16 0.67 0.00 -0.04 0.00 0.00 33.50 32.41 2x9s n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x9s n ALA 109 N -3.47 2.33 -0.93 0.55 0.00 0.55 -3.17 120.51 116.37 2x9s n ALA 109 Ca 0.11 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2x9s n ALA 109 Cb 0.52 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.64 2x9s n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 110 N 0.47 4.30 2.60 0.00 0.00 -1.17 -4.28 105.19 107.11 2x9s n GLY 110 Ca 0.16 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2x9s n GLY 110 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2x9s n VAL 111 N 0.17 -0.08 0.00 1.61 0.24 -1.19 -3.37 118.33 115.71 2x9s n VAL 111 Ca 0.34 -2.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 2x9s n VAL 111 Cb 0.61 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 2x9s n VAL 111 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2x9s n ARG 112 N 0.68 0.00 -0.63 7.34 3.00 -1.26 -4.90 116.66 120.88 2x9s n ARG 112 Ca 0.11 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.02 2x9s n ARG 112 Cb 0.67 -0.22 0.14 0.00 0.00 0.00 0.00 32.46 33.04 2x9s n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2x9s n ALA 113 N -1.41 2.93 0.00 5.13 0.00 -1.26 -5.05 120.51 120.86 2x9s n ALA 113 Ca 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2x9s n ALA 113 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2x9s n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 114 N -0.79 1.69 0.00 0.00 0.00 -1.26 -5.02 105.19 99.81 2x9s n GLY 114 Ca 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2x9s n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9s n GLY 115 N 1.79 3.03 3.12 -0.02 0.00 -1.22 -4.53 105.19 107.37 2x9s n GLY 115 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 2x9s n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s VAL 116 N -2.00 0.05 -0.09 1.61 0.11 -0.12 -4.45 120.40 115.51 2x9s s VAL 116 Ca 0.00 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 2x9s s VAL 116 Cb 0.00 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2x9s s VAL 116 CO 0.00 -0.22 1.05 -0.22 -3.33 0.00 0.00 175.10 172.38 2x9s s LEU 117 N -0.82 4.26 -0.88 2.54 2.96 -1.26 -2.06 118.68 123.42 2x9s s LEU 117 Ca -0.09 1.60 -0.06 0.00 -0.22 0.00 0.00 54.13 55.36 2x9s s LEU 117 Cb -0.05 -3.56 0.22 0.00 0.50 0.00 0.00 46.19 43.30 2x9s s LEU 117 CO 0.02 -0.47 0.79 -1.58 -1.32 0.00 0.00 176.35 173.78 2x9s s GLN 118 N 2.03 3.41 -0.70 1.98 0.74 0.33 -4.98 119.66 122.48 2x9s s GLN 118 Ca 0.50 -2.97 -0.24 0.00 0.05 0.00 0.00 55.36 52.70 2x9s s GLN 118 Cb -0.20 -4.14 -0.19 0.00 1.10 0.00 0.00 33.01 29.59 2x9s s GLN 118 CO 0.19 -1.25 1.87 -0.85 -0.55 0.00 0.00 175.29 174.71 2x9s n GLU 119 N 2.95 1.23 0.00 1.67 0.00 -1.26 -1.22 120.64 124.00 2x9s n GLU 119 Ca 0.18 -1.77 0.00 0.00 0.00 0.00 0.00 57.16 55.56 2x9s n GLU 119 Cb 0.39 -2.97 0.00 0.00 0.00 0.00 0.00 31.44 28.87 2x9s n GLU 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2x9s n ILE 120 N 6.47 0.00 -2.89 3.84 5.41 -1.09 -2.65 119.36 128.44 2x9s n ILE 120 Ca 0.48 0.45 -0.44 0.00 1.00 0.00 0.00 62.75 64.25 2x9s n ILE 120 Cb 0.42 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 2x9s n ILE 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2x9s n HIS 121 N -0.41 4.18 0.99 1.39 -0.00 0.23 -4.85 115.22 116.75 2x9s n HIS 121 Ca 0.00 -3.24 0.00 0.00 0.46 0.00 0.00 57.72 54.94 2x9s n HIS 121 Cb 0.00 -1.90 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 2x9s n HIS 121 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2x9s n ARG 122 N 3.98 0.99 -2.85 1.57 1.85 -1.08 -4.06 116.66 117.05 2x9s n ARG 122 Ca 0.33 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 57.16 2x9s n ARG 122 Cb 0.39 -1.26 0.01 0.00 -1.05 0.00 0.00 32.46 30.55 2x9s n ARG 122 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2x9s s ASP 123 N 0.47 -1.35 0.24 2.89 1.11 -1.26 -3.05 116.67 115.72 2x9s s ASP 123 Ca 0.00 -1.39 -0.30 0.00 0.18 0.00 0.00 52.55 51.05 2x9s s ASP 123 Cb 0.00 1.75 -0.09 0.00 1.07 0.00 0.00 42.92 45.66 2x9s s ASP 123 CO 0.00 -0.07 1.15 0.27 1.18 0.00 0.00 175.17 177.70 2x9s s ILE 124 N 1.11 3.51 0.03 0.77 -4.36 -1.15 -4.50 121.20 116.62 2x9s s ILE 124 Ca 0.26 1.40 -0.27 0.00 -0.26 0.00 0.00 60.65 61.78 2x9s s ILE 124 Cb 0.00 -3.89 -0.05 0.00 1.25 0.00 0.00 42.46 39.77 2x9s s ILE 124 CO -0.06 0.28 0.84 -0.22 0.24 0.00 0.00 174.94 176.03 2x9s s LEU 125 N -0.91 4.42 0.01 0.37 0.20 -1.26 0.19 118.68 121.70 2x9s s LEU 125 Ca 0.48 1.52 0.01 0.00 0.69 0.00 0.00 54.13 56.83 2x9s s LEU 125 Cb -0.32 -3.36 -0.01 0.00 -0.43 0.00 0.00 46.19 42.07 2x9s s LEU 125 CO 0.40 -0.09 -0.03 0.68 -0.29 0.00 0.00 176.35 177.02 2x9s s VAL 126 N 0.36 0.18 -0.23 1.68 -7.23 -0.77 -3.27 120.40 111.12 2x9s s VAL 126 Ca 0.43 -0.35 -0.19 0.00 -1.81 0.00 0.00 61.98 60.06 2x9s s VAL 126 Cb -0.21 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 2x9s s VAL 126 CO 0.25 -0.11 0.56 -0.54 -0.31 0.00 0.00 175.10 174.95 2x9s s LYS 127 N -0.48 4.13 -0.24 4.82 1.02 -0.50 -2.55 119.74 125.94 2x9s s LYS 127 Ca -0.04 0.44 -0.34 0.00 0.02 0.00 0.00 55.97 56.06 2x9s s LYS 127 Cb -0.04 -3.62 0.16 0.00 -0.52 0.00 0.00 37.83 33.82 2x9s s LYS 127 CO -0.00 -0.30 1.28 0.54 -0.92 0.00 0.00 175.35 175.95 2x9s s VAL 128 N 2.12 0.00 0.80 3.17 0.11 0.17 -3.63 120.40 123.14 2x9s s VAL 128 Ca 0.24 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 2x9s s VAL 128 Cb -0.16 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.76 2x9s s VAL 128 CO 0.09 0.00 1.13 -0.94 -3.33 0.00 0.00 175.10 172.05 2x9s s SER 129 N -1.69 4.59 0.05 3.54 1.04 -1.26 -2.02 113.70 117.96 2x9s s SER 129 Ca 0.09 1.03 -0.13 0.00 0.48 0.00 0.00 55.95 57.42 2x9s s SER 129 Cb -0.01 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 2x9s s SER 129 CO -0.05 -1.87 1.21 -0.65 0.98 0.00 0.00 173.24 172.86 2x9s h PRO 130 N -1.03 -0.17 0.00 4.02 0.11 -1.82 0.17 132.00 133.29 2x9s h PRO 130 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2x9s h PRO 130 Cb 1.29 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2x9s h PRO 130 CO 0.63 -0.11 0.42 0.54 -0.21 0.00 0.00 178.00 179.27 2x9s n ARG 131 N -3.69 0.05 -2.98 1.05 1.74 -1.26 -1.60 116.66 109.97 2x9s n ARG 131 Ca -0.02 0.45 -0.33 0.00 -0.77 0.00 0.00 57.85 57.18 2x9s n ARG 131 Cb 0.13 -2.07 -0.03 0.00 -1.02 0.00 0.00 32.46 29.48 2x9s n ARG 131 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2x9s n ASN 132 N -1.76 5.38 -3.81 0.55 3.02 0.61 -4.96 115.26 114.29 2x9s n ASN 132 Ca -0.00 -3.59 -0.30 0.00 -0.03 0.00 0.00 54.58 50.65 2x9s n ASN 132 Cb 0.43 -0.85 -0.14 0.00 -0.61 0.00 0.00 39.78 38.61 2x9s n ASN 132 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2x9s s ILE 133 N -3.74 1.68 0.00 2.41 -1.09 -0.63 -4.51 121.20 115.32 2x9s s ILE 133 Ca 0.42 -2.45 0.00 0.00 -2.23 0.00 0.00 60.65 56.39 2x9s s ILE 133 Cb 0.19 -2.20 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 2x9s s ILE 133 CO -0.07 -0.79 0.00 -0.81 -1.23 0.00 0.00 174.94 172.04 2x9s n PRO 134 N 3.83 2.62 0.00 2.79 -0.04 -1.26 -5.12 135.00 137.82 2x9s n PRO 134 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2x9s n PRO 134 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 2x9s n PRO 134 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2x9s n GLU 135 N 0.00 0.00 -1.37 0.54 1.02 -1.26 -5.00 120.64 114.57 2x9s n GLU 135 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2x9s n GLU 135 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 2x9s n GLU 135 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2x9s n PHE 136 N 0.00 0.56 -2.37 -0.32 1.16 -1.26 -4.45 117.46 110.77 2x9s n PHE 136 Ca 0.00 -0.09 -0.40 0.00 -1.87 0.00 0.00 57.45 55.09 2x9s n PHE 136 Cb 0.00 -1.79 -0.01 0.00 -1.61 0.00 0.00 39.48 36.07 2x9s n PHE 136 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2x9s n ILE 137 N 7.33 3.46 -0.64 1.97 2.08 -1.19 -4.72 119.36 127.65 2x9s n ILE 137 Ca 0.28 -3.55 -0.31 0.00 0.56 0.00 0.00 62.75 59.74 2x9s n ILE 137 Cb 0.47 -2.34 0.19 0.00 -0.75 0.00 0.00 39.64 37.20 2x9s n ILE 137 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2x9s s GLU 138 N 4.60 0.61 0.14 0.38 -1.05 -1.25 -3.79 118.70 118.34 2x9s s GLU 138 Ca 0.56 1.45 0.01 0.00 -0.15 0.00 0.00 54.97 56.84 2x9s s GLU 138 Cb 0.04 -1.69 -0.04 0.00 -0.44 0.00 0.00 34.13 32.00 2x9s s GLU 138 CO 0.08 -2.88 -0.01 0.08 0.95 0.00 0.00 175.26 173.49 2x9s s VAL 139 N -2.60 0.57 -0.04 1.83 1.01 -0.02 -4.67 120.40 116.48 2x9s s VAL 139 Ca 0.67 -1.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 2x9s s VAL 139 Cb -0.23 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2x9s s VAL 139 CO 0.59 -0.58 0.36 1.51 0.00 0.00 0.00 175.10 176.98 2x9s s ASP 140 N -3.11 6.71 0.00 3.32 1.47 -1.26 -3.28 116.67 120.51 2x9s s ASP 140 Ca 0.21 0.84 0.00 0.00 1.18 0.00 0.00 52.55 54.78 2x9s s ASP 140 Cb 0.06 -2.22 0.00 0.00 -0.34 0.00 0.00 42.92 40.42 2x9s s ASP 140 CO 0.01 0.30 0.00 0.52 0.68 0.00 0.00 175.17 176.68 2x9s n VAL 141 N 2.08 0.00 0.00 2.11 0.31 -1.13 -4.71 118.33 116.99 2x9s n VAL 141 Ca -0.14 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2x9s n VAL 141 Cb 0.53 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.41 2x9s n VAL 141 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2x9s n SER 142 N -0.79 0.00 0.00 4.52 3.41 -1.26 -1.26 113.62 118.24 2x9s n SER 142 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2x9s n SER 142 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2x9s n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x9s n GLY 143 N -0.99 0.00 3.56 5.00 0.00 -1.26 -4.78 105.19 106.73 2x9s n GLY 143 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2x9s n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x9s s LEU 144 N -0.29 3.25 0.98 0.99 2.01 -0.39 -4.85 118.68 120.38 2x9s s LEU 144 Ca 0.00 -0.15 -0.11 0.00 0.01 0.00 0.00 54.13 53.88 2x9s s LEU 144 Cb 0.00 -2.71 0.18 0.00 0.01 0.00 0.00 46.19 43.67 2x9s s LEU 144 CO 0.00 -1.85 1.09 -0.70 1.01 0.00 0.00 176.35 175.90 2x9s s GLU 145 N 5.80 0.53 0.00 1.70 2.56 -1.24 -0.33 118.70 127.71 2x9s s GLU 145 Ca 0.43 1.17 0.00 0.00 0.00 0.00 0.00 54.97 56.57 2x9s s GLU 145 Cb -0.09 -1.70 0.00 0.00 2.00 0.00 0.00 34.13 34.34 2x9s s GLU 145 CO 0.19 -2.84 0.89 0.44 -0.56 0.00 0.00 175.26 173.37 2x9s n ILE 146 N -4.34 0.00 0.00 -3.70 -5.35 -1.26 -4.44 119.36 100.27 2x9s n ILE 146 Ca 0.08 1.39 0.00 0.00 -0.27 0.00 0.00 62.75 63.95 2x9s n ILE 146 Cb 0.53 -2.13 0.00 0.00 -1.74 0.00 0.00 39.64 36.30 2x9s n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x9s n GLY 147 N -0.95 -1.41 1.50 3.28 0.00 -1.26 -4.17 105.19 102.18 2x9s n GLY 147 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2x9s n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x9s n ASP 148 N 0.00 -0.34 -3.79 1.61 5.68 -1.26 -4.46 116.55 113.99 2x9s n ASP 148 Ca 0.00 0.50 -0.13 0.00 -0.50 0.00 0.00 54.79 54.66 2x9s n ASP 148 Cb 0.00 -0.41 -0.10 0.00 -1.14 0.00 0.00 41.12 39.47 2x9s n ASP 148 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2x9s s SER 149 N -0.27 -0.19 0.96 -1.12 0.01 -1.26 -3.69 113.70 108.13 2x9s s SER 149 Ca 0.32 0.25 -0.20 0.00 1.31 0.00 0.00 55.95 57.63 2x9s s SER 149 Cb -0.46 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.12 2x9s s SER 149 CO 0.25 -0.27 -0.77 -0.11 0.41 0.00 0.00 173.24 172.75 2x9s n LEU 150 N 2.08 -2.53 0.00 2.44 0.00 -1.26 -4.88 117.00 112.86 2x9s n LEU 150 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 56.01 55.76 2x9s n LEU 150 Cb 0.57 -0.63 0.00 0.00 0.00 0.00 0.00 43.42 43.36 2x9s n LEU 150 CO 0.19 -2.64 0.00 0.00 0.00 0.00 0.00 177.39 174.94 2x9s n HIS 151 N -3.75 0.00 -3.49 1.96 1.44 -1.26 -4.27 115.22 105.85 2x9s n HIS 151 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2x9s n HIS 151 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 2x9s n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2x9s n ALA 152 N 0.00 0.00 -1.10 1.59 0.00 -1.08 -3.50 120.51 116.42 2x9s n ALA 152 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2x9s n ALA 152 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 2x9s n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2x9s n SER 153 N -3.30 4.47 -3.31 0.00 2.88 -1.26 -4.45 113.62 108.66 2x9s n SER 153 Ca 0.00 -3.30 -0.30 0.00 -1.33 0.00 0.00 58.87 53.94 2x9s n SER 153 Cb 0.00 -0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 62.70 2x9s n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2x9s n ASP 154 N -0.37 5.36 -2.59 -3.46 10.43 -1.23 -4.82 116.55 119.87 2x9s n ASP 154 Ca 0.41 -2.46 -0.13 0.00 2.57 0.00 0.00 54.79 55.18 2x9s n ASP 154 Cb 1.36 -1.24 -0.04 0.00 1.84 0.00 0.00 41.12 43.04 2x9s n ASP 154 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2x9s n LEU 155 N 4.68 0.00 -4.48 0.64 -0.00 -1.26 -4.95 117.00 111.63 2x9s n LEU 155 Ca 0.53 -1.74 -0.43 0.00 -0.00 0.00 0.00 56.01 54.38 2x9s n LEU 155 Cb 0.21 0.70 -0.03 0.00 -0.00 0.00 0.00 43.42 44.31 2x9s n LEU 155 CO 0.80 -0.28 1.08 -0.75 -0.00 0.00 0.00 177.39 178.25 2x9s s LYS 156 N -2.82 3.55 -0.86 1.47 2.47 -1.26 -4.96 119.74 117.33 2x9s s LYS 156 Ca 0.15 -1.51 -0.16 0.00 -1.56 0.00 0.00 55.97 52.90 2x9s s LYS 156 Cb 0.01 -4.96 0.19 0.00 -1.46 0.00 0.00 37.83 31.61 2x9s s LYS 156 CO 0.11 -1.89 0.89 -0.51 0.16 0.00 0.00 175.35 174.11 2x9s s LEU 157 N 3.39 6.16 0.22 5.43 1.02 -1.26 -4.94 118.68 128.70 2x9s s LEU 157 Ca 0.35 -2.44 -0.26 0.00 0.02 0.00 0.00 54.13 51.79 2x9s s LEU 157 Cb -0.05 -2.28 -0.16 0.00 0.02 0.00 0.00 46.19 43.72 2x9s s LEU 157 CO -0.08 -0.75 0.44 -2.65 0.02 0.00 0.00 176.35 173.33 2x9s n PRO 158 N 4.90 0.00 -1.65 1.29 -0.02 -1.26 -4.47 135.00 133.79 2x9s n PRO 158 Ca 0.17 0.00 -0.65 0.00 -2.02 0.00 0.00 63.50 61.00 2x9s n PRO 158 Cb 0.48 -0.97 -0.10 0.00 -0.02 0.00 0.00 33.50 32.89 2x9s n PRO 158 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2x9s n PRO 159 N 1.01 0.20 0.00 0.52 -0.02 -1.26 -1.04 135.00 134.41 2x9s n PRO 159 Ca 0.16 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2x9s n PRO 159 Cb 0.26 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2x9s n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9s n GLY 160 N 4.73 1.24 3.54 -1.23 0.00 -1.26 -5.05 105.19 107.17 2x9s n GLY 160 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 2x9s n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9s s VAL 161 N -2.00 4.39 -1.14 1.61 1.01 -0.20 -4.85 120.40 119.22 2x9s s VAL 161 Ca 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 59.82 2x9s s VAL 161 Cb 0.00 -5.10 0.26 0.00 0.00 0.00 0.00 36.38 31.54 2x9s s VAL 161 CO 0.00 -1.89 1.23 -1.84 0.00 0.00 0.00 175.10 172.60 2x9s n GLU 162 N 7.56 3.56 0.00 2.72 0.28 -1.24 -4.92 120.64 128.61 2x9s n GLU 162 Ca 0.44 -4.31 0.00 0.00 -0.16 0.00 0.00 57.16 53.13 2x9s n GLU 162 Cb 0.45 -2.67 0.00 0.00 1.43 0.00 0.00 31.44 30.66 2x9s n GLU 162 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2x9s n LEU 163 N 3.28 0.00 -2.68 -1.84 -0.00 -1.26 -1.40 117.00 113.10 2x9s n LEU 163 Ca 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.24 2x9s n LEU 163 Cb 0.39 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.87 2x9s n LEU 163 CO 0.53 -0.05 0.51 0.00 -0.00 0.00 0.00 177.39 178.38 2x9s n ALA 164 N -3.00 -3.35 -2.00 1.47 0.00 -1.20 -3.65 120.51 108.78 2x9s n ALA 164 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2x9s n ALA 164 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.45 2x9s n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2x9s n VAL 165 N 1.87 0.00 0.10 0.00 0.31 -1.26 -4.84 118.33 114.50 2x9s n VAL 165 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2x9s n VAL 165 Cb 0.68 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 2x9s n VAL 165 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2x9s n SER 166 N 0.00 0.08 -4.48 4.52 7.64 -1.26 -4.82 113.62 115.30 2x9s n SER 166 Ca 0.00 0.34 -0.43 0.00 1.01 0.00 0.00 58.87 59.79 2x9s n SER 166 Cb 0.00 0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.36 2x9s n SER 166 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2x9s s PRO 167 N -2.00 3.20 0.00 1.43 0.04 -1.26 -5.01 135.00 131.40 2x9s s PRO 167 Ca 0.00 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.42 2x9s s PRO 167 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2x9s s PRO 167 CO 0.00 -1.59 0.00 -1.91 0.04 0.00 0.00 177.00 173.54 2x9s n GLU 168 N 7.36 0.00 -0.99 4.56 4.07 -1.26 -4.24 120.64 130.14 2x9s n GLU 168 Ca -0.02 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.84 2x9s n GLU 168 Cb 0.46 -0.31 -0.11 0.00 -0.06 0.00 0.00 31.44 31.42 2x9s n GLU 168 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2x9s n GLU 169 N -1.42 0.00 -1.46 5.31 4.07 -1.26 -2.64 120.64 123.25 2x9s n GLU 169 Ca 0.00 0.00 -0.47 0.00 -0.06 0.00 0.00 57.16 56.63 2x9s n GLU 169 Cb 0.00 -0.90 -0.09 0.00 -0.06 0.00 0.00 31.44 30.40 2x9s n GLU 169 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2x9s n THR 170 N 4.57 0.08 0.12 6.31 -1.04 -1.26 -2.84 114.28 120.22 2x9s n THR 170 Ca 0.44 -0.28 0.01 0.00 -2.04 0.00 0.00 64.05 62.18 2x9s n THR 170 Cb 0.04 -1.50 -0.00 0.00 -1.82 0.00 0.00 70.33 67.05 2x9s n THR 170 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 2x9s h ILE 171 N 7.40 0.95 -1.90 12.58 3.07 -1.82 -3.35 117.51 134.45 2x9s h ILE 171 Ca -0.20 -2.36 0.20 0.00 1.55 0.00 0.00 64.86 64.04 2x9s h ILE 171 Cb 1.32 2.46 -0.15 0.00 -0.27 0.00 0.00 36.82 40.17 2x9s h ILE 171 CO 1.13 0.54 0.65 0.00 -1.05 0.00 0.00 178.15 179.42 2x9s s ALA 172 N -2.92 -1.94 0.10 0.16 0.00 -1.26 0.78 121.76 116.67 2x9s s ALA 172 Ca 0.03 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 2x9s s ALA 172 Cb 0.08 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.52 2x9s s ALA 172 CO 0.76 -0.74 0.66 0.00 0.00 0.00 0.00 175.76 176.44 2x9s s ALA 173 N -2.81 -1.66 -0.17 0.00 0.00 -0.36 -4.21 121.76 112.55 2x9s s ALA 173 Ca 0.09 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 2x9s s ALA 173 Cb -0.00 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2x9s s ALA 173 CO -0.05 -0.68 -0.14 0.08 0.00 0.00 0.00 175.76 174.97 2x9s s VAL 174 N -3.17 2.72 0.30 0.00 1.01 -1.26 0.12 120.40 120.11 2x9s s VAL 174 Ca -0.01 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2x9s s VAL 174 Cb -0.01 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 2x9s s VAL 174 CO -0.08 0.50 -0.06 0.68 0.00 0.00 0.00 175.10 176.14 2x9s s VAL 175 N 1.04 1.74 1.13 2.92 -7.23 -0.87 -4.36 120.40 114.76 2x9s s VAL 175 Ca -0.01 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 57.88 2x9s s VAL 175 Cb -0.15 -2.52 0.25 0.00 0.56 0.00 0.00 36.38 34.53 2x9s s VAL 175 CO -0.03 -0.26 1.06 -2.16 -0.31 0.00 0.00 175.10 173.40 2x9s s PRO 176 N -3.71 -0.63 0.00 4.82 0.04 -1.26 -0.94 135.00 133.32 2x9s s PRO 176 Ca 0.31 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2x9s s PRO 176 Cb 0.04 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2x9s s PRO 176 CO 0.13 -3.42 0.00 -0.35 0.04 0.00 0.00 177.00 173.40 2x9s n PRO 177 N -4.64 1.48 -3.89 0.56 -0.04 -1.26 -4.61 135.00 122.60 2x9s n PRO 177 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 2x9s n PRO 177 Cb 0.57 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 2x9s n PRO 177 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2x9s s GLU 178 N 0.11 2.41 0.08 0.54 0.41 -1.26 -5.06 118.70 115.93 2x9s s GLU 178 Ca 0.00 -3.14 -0.31 0.00 -0.41 0.00 0.00 54.97 51.11 2x9s s GLU 178 Cb 0.00 -3.45 -0.08 0.00 -1.78 0.00 0.00 34.13 28.82 2x9s s GLU 178 CO 0.00 -1.24 1.46 0.34 -0.49 0.00 0.00 175.26 175.34 2x9s s ASP 179 N -1.01 6.76 0.34 -0.19 3.68 -1.26 -4.89 116.67 120.11 2x9s s ASP 179 Ca 0.23 2.34 0.09 0.00 2.13 0.00 0.00 52.55 57.34 2x9s s ASP 179 Cb -0.11 -2.58 0.82 0.00 -1.45 0.00 0.00 42.92 39.61 2x9s s ASP 179 CO -0.12 -0.73 1.83 0.58 0.13 0.00 0.00 175.17 176.86 2x9s h VAL 180 N 4.49 0.76 -1.68 1.11 2.07 -2.08 -3.38 116.25 117.54 2x9s h VAL 180 Ca -0.41 -0.24 -0.51 0.00 0.82 0.00 0.00 66.70 66.36 2x9s h VAL 180 Cb 1.20 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2x9s h VAL 180 CO 0.89 0.13 1.59 -0.62 0.02 0.00 0.00 177.57 179.58 2x9s n GLU 181 N -4.63 1.32 0.00 1.57 -0.58 -1.26 -4.73 120.64 112.33 2x9s n GLU 181 Ca 0.20 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 2x9s n GLU 181 Cb 0.55 -3.31 0.00 0.00 -0.57 0.00 0.00 31.44 28.10 2x9s n GLU 181 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2x9s n LYS 182 N 8.90 0.00 -1.43 3.49 4.76 -1.26 -5.16 118.16 127.45 2x9s n LYS 182 Ca 0.36 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.89 2x9s n LYS 182 Cb 0.50 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.63 2x9s n LYS 182 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2x9s n LEU 183 N 0.00 -1.16 0.00 -0.35 -0.00 -1.26 -5.08 117.00 109.14 2x9s n LEU 183 Ca 0.00 2.34 0.00 0.00 -0.00 0.00 0.00 56.01 58.35 2x9s n LEU 183 Cb 0.00 -2.98 0.00 0.00 -0.00 0.00 0.00 43.42 40.44 2x9s n LEU 183 CO 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 177.39 175.93 2x9s n ALA 184 N -3.59 0.00 0.00 1.96 0.00 -1.26 -5.18 120.51 112.44 2x9s n ALA 184 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2x9s n ALA 184 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2x9s n ALA 184 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x9s n GLU 185 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -5.00 120.64 113.80 2x9s n GLU 185 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2x9s n GLU 185 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2x9s n GLU 185 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2x9s n GLU 186 N 0.00 0.00 0.00 3.49 1.02 -1.26 -5.35 120.64 118.54 2x9s n GLU 186 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2x9s n GLU 186 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 2x9s n GLU 186 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31