#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcf h LEU 2 N 0.00 0.51 -8.34 4.03 3.38 -2.03 -3.40 115.31 109.46 1jcf h LEU 2 Ca 0.00 -0.92 -0.72 0.00 0.09 0.00 0.00 57.88 56.33 1jcf h LEU 2 Cb 0.00 -0.17 -0.24 0.00 0.09 0.00 0.00 40.66 40.35 1jcf h LEU 2 CO 0.00 1.53 -0.44 -0.60 0.09 0.00 0.00 178.44 179.02 1jcf s ARG 3 N -2.48 2.85 0.51 1.13 3.52 -1.26 -4.52 118.95 118.71 1jcf s ARG 3 Ca -0.15 -1.20 -0.21 0.00 -0.13 0.00 0.00 55.73 54.04 1jcf s ARG 3 Cb 0.03 -3.90 -0.07 0.00 -1.56 0.00 0.00 34.95 29.45 1jcf s ARG 3 CO 0.83 -0.84 1.13 0.15 -0.81 0.00 0.00 175.30 175.76 1jcf s LYS 4 N 1.58 3.56 -0.31 5.12 -0.14 -1.26 -4.82 119.74 123.47 1jcf s LYS 4 Ca 0.03 1.64 -0.05 0.00 -1.36 0.00 0.00 55.97 56.23 1jcf s LYS 4 Cb -0.21 -2.16 0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1jcf s LYS 4 CO 0.07 -0.69 0.06 -0.51 -0.76 0.00 0.00 175.35 173.52 1jcf s ASP 5 N -1.65 5.06 -0.07 2.83 -0.00 -1.26 -0.57 116.67 121.01 1jcf s ASP 5 Ca 0.69 -0.97 0.03 0.00 -0.00 0.00 0.00 52.55 52.30 1jcf s ASP 5 Cb -0.25 -1.82 -0.02 0.00 -0.00 0.00 0.00 42.92 40.83 1jcf s ASP 5 CO 0.29 -0.24 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.42 1jcf s ILE 6 N 1.41 2.83 -0.14 0.77 1.01 0.35 -1.58 121.20 125.85 1jcf s ILE 6 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 1jcf s ILE 6 Cb -0.18 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 1jcf s ILE 6 CO 0.01 0.57 -0.13 -0.83 0.00 0.00 0.00 174.94 174.56 1jcf s GLY 7 N -0.33 1.53 -0.12 6.18 0.00 0.94 -0.72 107.32 114.81 1jcf s GLY 7 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1jcf s GLY 7 CO 0.02 -0.10 -0.14 -0.42 0.00 0.00 0.00 173.10 172.47 1jcf s ILE 8 N 0.52 1.44 -0.69 0.90 1.01 0.15 0.48 121.20 125.00 1jcf s ILE 8 Ca -0.09 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 1jcf s ILE 8 Cb -0.16 -1.35 0.17 0.00 0.01 0.00 0.00 42.46 41.14 1jcf s ILE 8 CO 0.04 0.43 0.65 -0.62 0.00 0.00 0.00 174.94 175.44 1jcf s ASP 9 N 1.27 6.49 -1.27 3.58 3.68 0.70 -1.61 116.67 129.52 1jcf s ASP 9 Ca -0.01 -2.24 -0.10 0.00 2.13 0.00 0.00 52.55 52.33 1jcf s ASP 9 Cb -0.14 -2.22 0.17 0.00 -1.45 0.00 0.00 42.92 39.29 1jcf s ASP 9 CO -0.06 -0.72 1.81 -0.11 0.13 0.00 0.00 175.17 176.22 1jcf n LEU 10 N 4.65 6.48 -4.80 -1.34 7.94 -1.26 -1.13 117.00 127.54 1jcf n LEU 10 Ca 0.01 -4.64 -0.30 0.00 -1.11 0.00 0.00 56.01 49.96 1jcf n LEU 10 Cb 0.44 -1.49 0.08 0.00 0.53 0.00 0.00 43.42 42.98 1jcf n LEU 10 CO 0.43 1.31 0.71 -0.83 -1.11 0.00 0.00 177.39 177.90 1jcf s GLY 11 N 1.01 1.64 0.42 -3.96 0.00 -0.53 -4.92 107.32 100.99 1jcf s GLY 11 Ca 0.40 -0.06 0.20 0.00 0.00 0.00 0.00 44.72 45.26 1jcf s GLY 11 CO 0.01 0.33 1.85 -0.91 0.00 0.00 0.00 173.10 174.38 1jcf h THR 12 N -1.01 0.86 0.00 0.90 1.35 -1.93 -3.34 112.91 109.74 1jcf h THR 12 Ca -0.46 -1.16 -0.30 0.00 -0.55 0.00 0.00 66.41 63.94 1jcf h THR 12 Cb 1.25 1.70 -0.05 0.00 -1.73 0.00 0.00 68.15 69.32 1jcf h THR 12 CO 0.57 0.29 -2.01 0.00 -0.25 0.00 0.00 175.52 174.12 1jcf n ALA 13 N -2.33 1.82 -2.67 6.62 0.00 -1.26 -4.64 120.51 118.05 1jcf n ALA 13 Ca -0.01 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.51 1jcf n ALA 13 Cb 0.40 0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.98 1jcf n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jcf s ASN 14 N -6.56 1.74 -0.16 0.00 0.02 -1.26 0.12 114.94 108.84 1jcf s ASN 14 Ca -0.25 -0.55 0.00 0.00 -1.02 0.00 0.00 52.86 51.03 1jcf s ASN 14 Cb 0.09 -0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.28 1jcf s ASN 14 CO 0.32 -0.02 -0.15 -0.89 0.02 0.00 0.00 177.10 176.38 1jcf s THR 15 N -1.08 2.63 -0.05 1.60 2.01 0.22 -1.45 115.64 119.52 1jcf s THR 15 Ca 0.00 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1jcf s THR 15 Cb -0.09 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 1jcf s THR 15 CO 0.02 0.51 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.49 1jcf s LEU 16 N 0.93 2.33 -0.08 4.42 2.01 -0.28 -1.53 118.68 126.48 1jcf s LEU 16 Ca -0.03 -0.39 0.02 0.00 0.01 0.00 0.00 54.13 53.74 1jcf s LEU 16 Cb -0.15 -1.44 0.01 0.00 0.01 0.00 0.00 46.19 44.62 1jcf s LEU 16 CO -0.02 0.29 -0.15 -0.69 1.01 0.00 0.00 176.35 176.79 1jcf s VAL 17 N -0.39 1.35 -0.13 -1.59 1.01 0.12 -0.21 120.40 120.56 1jcf s VAL 17 Ca 0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1jcf s VAL 17 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1jcf s VAL 17 CO 0.02 0.41 -0.05 0.12 0.00 0.00 0.00 175.10 175.59 1jcf s PHE 18 N 0.71 3.00 -0.21 5.22 5.36 0.18 -0.91 117.98 131.32 1jcf s PHE 18 Ca -0.13 -0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 55.61 1jcf s PHE 18 Cb -0.16 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.65 1jcf s PHE 18 CO 0.03 0.07 -0.10 -1.17 -1.46 0.00 0.00 175.22 172.59 1jcf s LEU 19 N 0.00 2.67 0.25 6.12 2.96 0.49 -0.04 118.68 131.13 1jcf s LEU 19 Ca 0.00 -0.58 -0.31 0.00 -0.22 0.00 0.00 54.13 53.02 1jcf s LEU 19 Cb -0.13 -1.63 -0.12 0.00 0.50 0.00 0.00 46.19 44.80 1jcf s LEU 19 CO 0.03 -0.03 1.56 0.54 -1.32 0.00 0.00 176.35 177.12 1jcf n ARG 20 N 4.71 2.44 -0.28 1.98 1.74 -0.62 -0.82 116.66 125.81 1jcf n ARG 20 Ca -0.19 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1jcf n ARG 20 Cb 0.50 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 1jcf n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jcf n GLY 21 N 2.59 1.01 0.00 -0.13 0.00 -1.26 -4.79 105.19 102.62 1jcf n GLY 21 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1jcf n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jcf n LYS 22 N -2.00 0.22 0.00 1.61 4.81 -0.30 -5.12 118.16 117.38 1jcf n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jcf n LYS 22 Cb 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 34.52 1jcf n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jcf n GLY 23 N 0.81 -0.62 3.65 3.14 0.00 -0.00 -4.90 105.19 107.27 1jcf n GLY 23 Ca 0.00 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1jcf n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcf s ILE 24 N 0.00 4.01 -0.48 -0.61 -1.09 -1.26 -0.38 121.20 121.38 1jcf s ILE 24 Ca 0.00 1.19 0.07 0.00 -2.23 0.00 0.00 60.65 59.68 1jcf s ILE 24 Cb 0.00 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1jcf s ILE 24 CO 0.00 -0.23 0.41 1.33 -1.23 0.00 0.00 174.94 175.22 1jcf n VAL 25 N 5.78 0.00 -3.74 2.92 0.24 -0.09 -4.96 118.33 118.48 1jcf n VAL 25 Ca 0.16 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.93 1jcf n VAL 25 Cb 0.45 1.04 -0.15 0.00 -1.47 0.00 0.00 33.84 33.71 1jcf n VAL 25 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jcf s VAL 26 N -1.37 -0.08 -0.36 3.34 1.01 -1.16 -4.85 120.40 116.93 1jcf s VAL 26 Ca 0.04 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1jcf s VAL 26 Cb 0.05 -0.24 0.15 0.00 0.00 0.00 0.00 36.38 36.35 1jcf s VAL 26 CO 0.23 0.09 0.38 0.21 0.00 0.00 0.00 175.10 176.00 1jcf s ASN 27 N 1.35 1.12 0.03 3.32 3.04 -1.25 -0.70 114.94 121.84 1jcf s ASN 27 Ca -0.07 -1.48 -0.03 0.00 0.04 0.00 0.00 52.86 51.31 1jcf s ASN 27 Cb -0.12 0.60 -0.02 0.00 -1.54 0.00 0.00 41.25 40.18 1jcf s ASN 27 CO -0.06 -0.27 0.04 -1.61 -3.04 0.00 0.00 177.10 172.17 1jcf s GLU 28 N 1.52 0.50 0.54 0.43 8.01 -0.58 -4.98 118.70 124.14 1jcf s GLU 28 Ca 0.16 -0.74 -0.22 0.00 0.01 0.00 0.00 54.97 54.18 1jcf s GLU 28 Cb -0.15 0.19 -0.05 0.00 -4.31 0.00 0.00 34.13 29.81 1jcf s GLU 28 CO -0.06 -0.11 1.38 -2.14 0.01 0.00 0.00 175.26 174.34 1jcf s PRO 29 N -2.31 3.17 -1.49 0.39 0.02 -1.26 0.70 135.00 134.21 1jcf s PRO 29 Ca -0.08 2.28 -0.10 0.00 0.02 0.00 0.00 61.00 63.13 1jcf s PRO 29 Cb -0.03 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 32.21 1jcf s PRO 29 CO -0.04 -1.18 2.58 0.43 -0.33 0.00 0.00 177.00 178.46 1jcf n SER 30 N -0.96 7.30 -4.09 2.53 7.64 0.12 -3.91 113.62 122.24 1jcf n SER 30 Ca 0.10 -2.81 -0.21 0.00 1.01 0.00 0.00 58.87 56.96 1jcf n SER 30 Cb 0.44 -1.52 -0.15 0.00 -1.01 0.00 0.00 64.21 61.98 1jcf n SER 30 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jcf s VAL 31 N 1.39 0.97 -0.05 0.44 1.01 -1.26 -4.23 120.40 118.68 1jcf s VAL 31 Ca 0.59 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1jcf s VAL 31 Cb 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1jcf s VAL 31 CO -0.07 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.51 1jcf s ILE 32 N -0.40 0.95 -0.15 2.22 1.01 0.45 -0.52 121.20 124.75 1jcf s ILE 32 Ca 0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1jcf s ILE 32 Cb -0.05 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1jcf s ILE 32 CO -0.00 0.30 -0.02 0.00 0.00 0.00 0.00 174.94 175.23 1jcf s ALA 33 N 0.49 3.11 0.21 9.38 0.00 0.50 0.51 121.76 135.96 1jcf s ALA 33 Ca -0.09 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1jcf s ALA 33 Cb -0.13 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1jcf s ALA 33 CO 0.02 0.27 -0.05 0.96 0.00 0.00 0.00 175.76 176.97 1jcf s ILE 34 N 0.16 1.18 -0.29 0.00 -4.36 -0.57 -0.34 121.20 116.99 1jcf s ILE 34 Ca -0.00 -2.06 -0.29 0.00 -0.26 0.00 0.00 60.65 58.04 1jcf s ILE 34 Cb -0.13 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.39 1jcf s ILE 34 CO 0.02 -0.45 1.09 -0.62 0.24 0.00 0.00 174.94 175.22 1jcf s ASP 35 N -3.28 6.96 0.65 4.36 3.68 -0.44 -1.34 116.67 127.26 1jcf s ASP 35 Ca 0.25 1.17 0.38 0.00 2.13 0.00 0.00 52.55 56.49 1jcf s ASP 35 Cb 0.04 -2.54 2.07 0.00 -1.45 0.00 0.00 42.92 41.04 1jcf s ASP 35 CO 0.07 -0.83 2.17 0.77 0.13 0.00 0.00 175.17 177.47 1jcf h SER 36 N 8.01 0.00 0.00 -0.34 4.64 -1.28 -0.04 113.55 124.54 1jcf h SER 36 Ca -0.21 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.67 1jcf h SER 36 Cb 1.06 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.09 1jcf h SER 36 CO 1.02 0.00 -2.44 0.41 -0.87 0.00 0.00 176.83 174.95 1jcf n THR 37 N -2.96 1.53 0.03 2.95 -1.04 -1.26 -4.69 114.28 108.83 1jcf n THR 37 Ca -0.03 -0.38 -0.03 0.00 -2.04 0.00 0.00 64.05 61.57 1jcf n THR 37 Cb 0.19 -1.84 -0.09 0.00 -1.82 0.00 0.00 70.33 66.76 1jcf n THR 37 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1jcf h THR 38 N -0.88 0.78 0.00 12.58 1.35 -1.93 -3.48 112.91 121.33 1jcf h THR 38 Ca -0.66 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 1jcf h THR 38 Cb 1.63 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1jcf h THR 38 CO -0.37 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1jcf n GLY 39 N 1.43 0.73 3.76 5.82 0.00 -0.03 -5.02 105.19 111.88 1jcf n GLY 39 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1jcf n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jcf s GLU 40 N -0.60 4.11 -0.28 1.61 2.12 -1.26 -4.66 118.70 119.75 1jcf s GLU 40 Ca 0.00 2.60 -0.29 0.00 0.36 0.00 0.00 54.97 57.64 1jcf s GLU 40 Cb 0.00 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.39 1jcf s GLU 40 CO 0.00 -0.63 1.16 0.42 -0.54 0.00 0.00 175.26 175.67 1jcf s ILE 41 N -0.24 4.40 -0.21 -3.70 -1.09 -1.26 -1.33 121.20 117.78 1jcf s ILE 41 Ca 0.61 1.63 -0.19 0.00 -2.23 0.00 0.00 60.65 60.47 1jcf s ILE 41 Cb -0.48 -4.27 -0.19 0.00 -1.58 0.00 0.00 42.46 35.94 1jcf s ILE 41 CO 0.52 -0.39 0.17 0.18 -1.23 0.00 0.00 174.94 174.19 1jcf n LEU 42 N 6.96 1.96 -3.71 2.97 4.77 0.54 -4.97 117.00 125.52 1jcf n LEU 42 Ca 0.13 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1jcf n LEU 42 Cb 0.46 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 1jcf n LEU 42 CO 0.59 0.37 0.09 -0.54 -1.33 0.00 0.00 177.39 176.57 1jcf s LYS 43 N -2.40 0.90 -0.02 3.23 3.01 -0.96 -4.98 119.74 118.52 1jcf s LYS 43 Ca -0.29 -0.52 0.00 0.00 -1.01 0.00 0.00 55.97 54.15 1jcf s LYS 43 Cb 0.07 0.39 0.03 0.00 -1.01 0.00 0.00 37.83 37.31 1jcf s LYS 43 CO 0.60 -0.31 0.02 0.08 0.51 0.00 0.00 175.35 176.25 1jcf s VAL 44 N -2.84 -0.01 0.00 3.17 1.01 -1.26 -0.37 120.40 120.09 1jcf s VAL 44 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1jcf s VAL 44 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.27 1jcf s VAL 44 CO -0.05 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1jcf n GLY 45 N 4.04 0.86 0.26 4.51 0.00 0.32 -4.59 105.19 110.59 1jcf n GLY 45 Ca -0.26 -1.68 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 1jcf n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jcf h LEU 46 N 0.00 0.64 -1.90 0.99 5.85 -1.88 -1.11 115.31 117.89 1jcf h LEU 46 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1jcf h LEU 46 Cb 0.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1jcf h LEU 46 CO 0.00 0.44 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.09 1jcf h GLU 47 N 0.77 0.00 0.16 1.25 5.08 -1.96 -1.30 114.58 118.58 1jcf h GLU 47 Ca 0.27 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.35 1jcf h GLU 47 Cb 0.05 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.33 1jcf h GLU 47 CO -0.12 0.12 -1.19 0.00 -1.00 0.00 0.00 179.01 176.83 1jcf h ALA 48 N 1.88 -0.07 -0.81 3.43 0.00 -1.59 -3.29 119.26 118.81 1jcf h ALA 48 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1jcf h ALA 48 Cb 0.30 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1jcf h ALA 48 CO 0.02 0.60 0.41 -0.22 0.00 0.00 0.00 179.25 180.06 1jcf h LYS 49 N 0.08 1.15 0.00 0.00 3.64 -0.75 -1.50 116.57 119.19 1jcf h LYS 49 Ca -0.19 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1jcf h LYS 49 Cb 1.90 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1jcf h LYS 49 CO 0.23 0.86 0.00 0.09 -2.27 0.00 0.00 179.45 178.36 1jcf n ASN 50 N -4.32 0.09 0.05 4.20 5.03 -0.53 -1.16 115.26 118.61 1jcf n ASN 50 Ca 0.08 0.54 0.11 0.00 0.87 0.00 0.00 54.58 56.18 1jcf n ASN 50 Cb 0.12 -0.55 0.02 0.00 -1.02 0.00 0.00 39.78 38.35 1jcf n ASN 50 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1jcf n MET 51 N -1.62 0.41 -1.68 3.52 2.81 -0.57 -4.84 117.12 115.16 1jcf n MET 51 Ca 0.01 0.02 -0.45 0.00 -1.81 0.00 0.00 57.70 55.47 1jcf n MET 51 Cb 0.04 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 30.85 1jcf n MET 51 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1jcf n ILE 52 N -2.20 0.42 -1.00 2.02 5.41 -0.31 -0.66 119.36 123.04 1jcf n ILE 52 Ca 0.01 -0.08 -0.00 0.00 1.00 0.00 0.00 62.75 63.68 1jcf n ILE 52 Cb 0.48 -1.93 -0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1jcf n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jcf n GLY 53 N 4.17 0.45 0.21 7.39 0.00 -1.26 -4.86 105.19 111.30 1jcf n GLY 53 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1jcf n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jcf n LYS 54 N -2.61 0.23 -3.31 1.61 5.02 0.16 -5.11 118.16 114.14 1jcf n LYS 54 Ca -0.00 -0.87 -0.33 0.00 -2.02 0.00 0.00 58.31 55.09 1jcf n LYS 54 Cb 0.05 -0.58 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 1jcf n LYS 54 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jcf s THR 55 N -0.19 4.83 0.89 -0.18 -4.23 -1.11 -5.01 115.64 110.63 1jcf s THR 55 Ca 0.02 0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 61.11 1jcf s THR 55 Cb 0.01 -3.66 0.14 0.00 1.34 0.00 0.00 72.50 70.34 1jcf s THR 55 CO 0.00 -0.02 1.24 -2.84 -0.54 0.00 0.00 174.62 172.47 1jcf s PRO 56 N -2.62 1.29 0.37 3.99 0.02 -1.26 -4.93 135.00 131.85 1jcf s PRO 56 Ca 0.47 -0.13 0.27 0.00 0.02 0.00 0.00 61.00 61.63 1jcf s PRO 56 Cb -0.12 -1.89 1.22 0.00 0.02 0.00 0.00 34.50 33.72 1jcf s PRO 56 CO 0.20 -2.02 1.82 0.00 -0.33 0.00 0.00 177.00 176.67 1jcf h ALA 57 N -1.36 1.00 -0.00 -1.55 0.00 -2.03 -2.56 119.26 112.76 1jcf h ALA 57 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jcf h ALA 57 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jcf h ALA 57 CO 0.53 0.00 -0.13 0.25 0.00 0.00 0.00 179.25 179.90 1jcf n THR 58 N -2.50 0.00 -4.65 0.00 -2.24 -1.26 -4.73 114.28 98.91 1jcf n THR 58 Ca 0.01 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.50 1jcf n THR 58 Cb 0.20 -0.09 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 1jcf n THR 58 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jcf s ILE 59 N -2.54 1.23 -0.16 2.28 1.01 -0.96 -0.85 121.20 121.20 1jcf s ILE 59 Ca 0.27 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 1jcf s ILE 59 Cb 0.20 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.66 1jcf s ILE 59 CO 0.49 0.27 -0.07 -0.75 0.00 0.00 0.00 174.94 174.88 1jcf s LYS 60 N -0.57 1.64 -0.35 2.79 2.20 -0.45 -4.49 119.74 120.51 1jcf s LYS 60 Ca 0.05 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 54.93 1jcf s LYS 60 Cb -0.06 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 1jcf s LYS 60 CO -0.00 -0.39 0.61 0.00 -0.36 0.00 0.00 175.35 175.21 1jcf s ALA 61 N 1.59 3.47 -0.06 3.13 0.00 -1.26 -1.51 121.76 127.12 1jcf s ALA 61 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1jcf s ALA 61 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1jcf s ALA 61 CO -0.08 -1.29 -0.13 0.42 0.00 0.00 0.00 175.76 174.67 1jcf s ILE 62 N 2.63 3.13 -0.66 0.00 1.01 0.18 -4.93 121.20 122.56 1jcf s ILE 62 Ca 0.23 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 1jcf s ILE 62 Cb -0.15 -2.23 0.17 0.00 0.01 0.00 0.00 42.46 40.26 1jcf s ILE 62 CO 0.14 0.59 0.48 -0.13 0.00 0.00 0.00 174.94 176.02 1jcf s ARG 63 N -0.69 2.63 0.65 2.79 0.52 -1.26 -0.41 118.95 123.18 1jcf s ARG 63 Ca 0.10 -2.69 0.41 0.00 -0.52 0.00 0.00 55.73 53.03 1jcf s ARG 63 Cb -0.11 -3.72 2.25 0.00 0.52 0.00 0.00 34.95 33.89 1jcf s ARG 63 CO 0.01 -1.19 2.32 -1.00 0.02 0.00 0.00 175.30 175.46 1jcf h PRO 64 N 6.76 0.00 -5.49 3.54 0.13 -1.90 -3.42 132.00 131.62 1jcf h PRO 64 Ca 0.01 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.50 1jcf h PRO 64 Cb 0.92 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.91 1jcf h PRO 64 CO 0.73 0.00 -0.56 -1.64 -0.23 0.00 0.00 178.00 176.30 1jcf s MET 65 N -4.26 3.68 -0.10 0.86 -1.94 -1.26 0.25 119.30 116.53 1jcf s MET 65 Ca -0.05 -0.31 -0.10 0.00 -1.71 0.00 0.00 55.69 53.52 1jcf s MET 65 Cb 0.13 -3.13 0.03 0.00 2.01 0.00 0.00 34.83 33.87 1jcf s MET 65 CO 0.43 0.46 0.28 1.03 -0.01 0.00 0.00 175.02 177.21 1jcf s ARG 66 N -0.16 0.36 -1.60 2.03 1.81 -0.36 -4.50 118.95 116.52 1jcf s ARG 66 Ca 0.08 0.32 -0.03 0.00 -1.72 0.00 0.00 55.73 54.38 1jcf s ARG 66 Cb -0.12 0.17 0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1jcf s ARG 66 CO 0.01 -0.05 0.30 -0.25 -0.68 0.00 0.00 175.30 174.63 1jcf n ASP 67 N 2.75 -5.75 0.00 0.23 10.43 -1.26 -1.75 116.55 121.21 1jcf n ASP 67 Ca -0.14 -0.14 0.00 0.00 2.57 0.00 0.00 54.79 57.08 1jcf n ASP 67 Cb 0.58 -4.72 0.00 0.00 1.84 0.00 0.00 41.12 38.82 1jcf n ASP 67 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jcf n GLY 68 N -1.24 0.60 3.49 0.44 0.00 -1.26 -4.72 105.19 102.50 1jcf n GLY 68 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1jcf n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jcf s VAL 69 N -2.70 0.46 -0.20 1.61 -7.23 -0.71 -4.35 120.40 107.27 1jcf s VAL 69 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1jcf s VAL 69 Cb 0.00 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 1jcf s VAL 69 CO 0.00 0.00 1.23 -0.63 -0.31 0.00 0.00 175.10 175.39 1jcf s ILE 70 N -3.23 4.33 -0.16 -0.62 1.01 -1.26 -1.22 121.20 120.05 1jcf s ILE 70 Ca 0.25 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.49 1jcf s ILE 70 Cb 0.02 -4.09 -0.23 0.00 0.01 0.00 0.00 42.46 38.17 1jcf s ILE 70 CO 0.17 -0.21 0.19 0.00 0.00 0.00 0.00 174.94 175.08 1jcf n ALA 71 N 6.75 1.18 -3.75 9.38 0.00 0.14 -4.78 120.51 129.42 1jcf n ALA 71 Ca 0.14 -0.83 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 1jcf n ALA 71 Cb 0.45 -0.48 -0.15 0.00 0.00 0.00 0.00 19.45 19.28 1jcf n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jcf s ASP 72 N -6.65 4.01 0.11 0.00 3.68 -0.84 -5.04 116.67 111.95 1jcf s ASP 72 Ca -0.23 -1.91 -0.32 0.00 2.13 0.00 0.00 52.55 52.22 1jcf s ASP 72 Cb 0.07 -0.97 -0.10 0.00 -1.45 0.00 0.00 42.92 40.47 1jcf s ASP 72 CO 0.73 -0.38 1.58 0.22 0.13 0.00 0.00 175.17 177.45 1jcf h TYR 73 N 7.73 -1.25 -0.95 -5.34 3.20 -1.87 0.24 116.97 118.73 1jcf h TYR 73 Ca -0.10 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.92 1jcf h TYR 73 Cb 1.00 0.54 -0.07 0.00 1.54 0.00 0.00 36.73 39.73 1jcf h TYR 73 CO 0.40 -0.53 0.61 1.79 -1.64 0.00 0.00 178.16 178.78 1jcf h THR 74 N -0.66 0.95 0.03 1.81 1.35 -2.00 0.94 112.91 115.33 1jcf h THR 74 Ca 0.02 -0.32 -0.24 0.00 -0.55 0.00 0.00 66.41 65.32 1jcf h THR 74 Cb 0.69 -0.07 0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1jcf h THR 74 CO -0.27 0.17 -1.02 0.58 -0.25 0.00 0.00 175.52 174.73 1jcf h VAL 75 N 0.94 1.39 -0.72 6.82 2.07 -1.91 -2.90 116.25 121.93 1jcf h VAL 75 Ca 0.45 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 1jcf h VAL 75 Cb 0.45 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 1jcf h VAL 75 CO -0.21 0.75 0.27 0.00 0.02 0.00 0.00 177.57 178.40 1jcf h ALA 76 N 0.64 0.93 0.03 1.67 0.00 0.35 -1.92 119.26 120.96 1jcf h ALA 76 Ca -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jcf h ALA 76 Cb 1.68 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1jcf h ALA 76 CO 0.18 0.57 -0.02 1.25 0.00 0.00 0.00 179.25 181.22 1jcf h LEU 77 N 1.03 -0.06 -0.76 0.00 5.85 -0.85 0.18 115.31 120.71 1jcf h LEU 77 Ca 0.24 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1jcf h LEU 77 Cb 0.23 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1jcf h LEU 77 CO -0.02 -0.04 0.50 0.58 -0.34 0.00 0.00 178.44 179.12 1jcf h VAL 78 N -0.06 1.19 -0.13 1.05 2.07 -1.39 0.15 116.25 119.14 1jcf h VAL 78 Ca -0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1jcf h VAL 78 Cb 0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1jcf h VAL 78 CO -0.00 0.19 0.03 -0.03 0.02 0.00 0.00 177.57 177.78 1jcf h MET 79 N 1.03 0.20 -0.37 1.57 1.85 -1.09 -1.31 114.93 116.80 1jcf h MET 79 Ca 0.28 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.35 1jcf h MET 79 Cb -0.12 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 1jcf h MET 79 CO -0.06 0.36 0.19 1.25 -0.40 0.00 0.00 176.91 178.25 1jcf h LEU 80 N 0.00 0.27 -0.81 3.39 5.85 -0.30 -1.04 115.31 122.68 1jcf h LEU 80 Ca 0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1jcf h LEU 80 Cb 0.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1jcf h LEU 80 CO 0.00 0.20 0.53 -0.09 -0.34 0.00 0.00 178.44 178.75 1jcf h ARG 81 N 0.38 1.07 0.02 1.25 2.43 -0.61 -0.37 114.38 118.55 1jcf h ARG 81 Ca 0.16 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1jcf h ARG 81 Cb 0.06 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1jcf h ARG 81 CO -0.11 0.71 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.13 1jcf h TYR 82 N 1.10 -0.02 -0.78 2.20 3.20 -0.68 -0.48 116.97 121.51 1jcf h TYR 82 Ca 0.30 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 1jcf h TYR 82 Cb -0.12 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1jcf h TYR 82 CO -0.01 0.00 0.30 0.74 -1.64 0.00 0.00 178.16 177.54 1jcf h PHE 83 N -0.04 1.21 -0.17 -3.82 0.05 -0.90 -0.42 116.94 112.86 1jcf h PHE 83 Ca -0.00 -0.10 -0.03 0.00 3.82 0.00 0.00 57.97 61.66 1jcf h PHE 83 Cb 0.03 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.62 1jcf h PHE 83 CO -0.07 0.92 0.01 0.82 -0.18 0.00 0.00 178.31 179.80 1jcf h ILE 84 N 1.15 1.25 -0.73 -0.55 2.04 -0.91 0.00 117.51 119.76 1jcf h ILE 84 Ca 0.26 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1jcf h ILE 84 Cb 0.24 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1jcf h ILE 84 CO -0.02 0.25 0.44 0.78 0.00 0.00 0.00 178.15 179.59 1jcf h ASN 85 N 0.05 0.69 -0.30 1.72 -0.26 -0.94 0.18 115.58 116.71 1jcf h ASN 85 Ca 0.05 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.74 1jcf h ASN 85 Cb 0.36 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 1jcf h ASN 85 CO 0.01 0.45 0.00 0.50 -1.06 0.00 0.00 177.43 177.33 1jcf h LYS 86 N 0.82 0.64 -0.23 0.81 3.64 -0.88 -1.84 116.57 119.54 1jcf h LYS 86 Ca 0.31 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1jcf h LYS 86 Cb 0.12 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1jcf h LYS 86 CO -0.15 0.66 -0.34 0.00 -2.27 0.00 0.00 179.45 177.35 1jcf h ALA 87 N 1.39 0.99 0.00 5.00 0.00 0.42 -2.70 119.26 124.36 1jcf h ALA 87 Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jcf h ALA 87 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jcf h ALA 87 CO 0.01 0.60 0.00 1.63 0.00 0.00 0.00 179.25 181.50 1jcf n LYS 88 N -4.06 0.23 -3.11 0.00 5.02 -0.09 -4.92 118.16 111.22 1jcf n LYS 88 Ca -0.01 0.22 -0.14 0.00 -2.02 0.00 0.00 58.31 56.36 1jcf n LYS 88 Cb 0.47 -1.79 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1jcf n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jcf n GLY 89 N 1.15 -0.01 0.00 0.72 0.00 -0.73 -4.80 105.19 101.51 1jcf n GLY 89 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jcf n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcf n GLY 90 N -1.36 2.41 3.73 -0.02 0.00 -0.98 -5.01 105.19 103.95 1jcf n GLY 90 Ca -0.04 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1jcf n GLY 90 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jcf n MET 91 N 1.49 2.21 -3.82 1.61 1.56 -1.26 -5.01 117.12 113.89 1jcf n MET 91 Ca 0.00 0.78 -0.22 0.00 -0.27 0.00 0.00 57.70 57.99 1jcf n MET 91 Cb 0.00 -2.48 -0.05 0.00 2.15 0.00 0.00 33.22 32.85 1jcf n MET 91 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1jcf s ASN 92 N -0.37 4.85 0.48 6.12 0.01 -1.26 -5.01 114.94 119.76 1jcf s ASN 92 Ca 0.58 -0.81 0.28 0.00 -0.71 0.00 0.00 52.86 52.19 1jcf s ASN 92 Cb -0.51 -0.61 1.05 0.00 0.41 0.00 0.00 41.25 41.59 1jcf s ASN 92 CO 0.60 -0.54 1.87 -0.07 -1.51 0.00 0.00 177.10 177.46 1jcf h LEU 93 N 1.24 0.00 -8.29 0.60 3.38 -1.95 -3.41 115.31 106.87 1jcf h LEU 93 Ca -0.42 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.88 1jcf h LEU 93 Cb 1.26 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.70 1jcf h LEU 93 CO 0.62 0.13 -0.81 -0.36 0.09 0.00 0.00 178.44 178.11 1jcf s PHE 94 N -3.63 2.80 0.33 1.13 0.08 -1.26 -5.10 117.98 112.33 1jcf s PHE 94 Ca 0.01 -1.19 -0.29 0.00 0.12 0.00 0.00 56.93 55.58 1jcf s PHE 94 Cb 0.09 -1.93 -0.10 0.00 -0.57 0.00 0.00 43.02 40.51 1jcf s PHE 94 CO 0.60 -0.58 1.39 0.15 -0.10 0.00 0.00 175.22 176.68 1jcf s LYS 95 N 1.05 4.27 0.69 0.44 1.02 -1.26 -4.62 119.74 121.32 1jcf s LYS 95 Ca -0.01 2.34 -0.11 0.00 0.02 0.00 0.00 55.97 58.21 1jcf s LYS 95 Cb -0.15 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1jcf s LYS 95 CO -0.04 -0.33 1.06 -1.25 -0.92 0.00 0.00 175.35 173.87 1jcf s PRO 96 N -1.59 3.02 -0.04 -1.68 0.04 -1.26 -4.22 135.00 129.27 1jcf s PRO 96 Ca 0.52 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 1jcf s PRO 96 Cb -0.42 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1jcf s PRO 96 CO 0.54 -1.01 0.45 1.03 0.04 0.00 0.00 177.00 178.06 1jcf s ARG 97 N -5.12 4.14 -0.03 4.56 0.52 0.26 -0.52 118.95 122.76 1jcf s ARG 97 Ca 0.57 0.46 0.03 0.00 -0.52 0.00 0.00 55.73 56.28 1jcf s ARG 97 Cb -0.13 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1jcf s ARG 97 CO 0.54 0.46 -0.10 0.08 0.02 0.00 0.00 175.30 176.30 1jcf s VAL 98 N -0.36 0.88 -0.14 3.52 1.01 0.43 -0.49 120.40 125.23 1jcf s VAL 98 Ca 0.25 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1jcf s VAL 98 Cb -0.16 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1jcf s VAL 98 CO 0.13 0.27 -0.18 -0.69 0.00 0.00 0.00 175.10 174.63 1jcf s VAL 99 N 0.18 2.49 -0.07 2.92 1.01 0.10 -0.48 120.40 126.55 1jcf s VAL 99 Ca -0.03 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1jcf s VAL 99 Cb -0.09 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1jcf s VAL 99 CO 0.01 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 174.82 1jcf s ILE 100 N 0.75 2.70 0.38 2.22 1.01 -0.12 0.30 121.20 128.44 1jcf s ILE 100 Ca -0.07 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.50 1jcf s ILE 100 Cb -0.16 -2.05 -0.10 0.00 0.01 0.00 0.00 42.46 40.17 1jcf s ILE 100 CO 0.01 0.57 0.97 -0.83 0.00 0.00 0.00 174.94 175.66 1jcf s GLY 101 N -0.35 2.63 0.05 6.18 0.00 -0.63 -1.33 107.32 113.87 1jcf s GLY 101 Ca 0.03 0.52 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 1jcf s GLY 101 CO 0.02 0.90 0.05 -1.34 0.00 0.00 0.00 173.10 172.73 1jcf s VAL 102 N -1.84 0.17 0.48 1.40 -7.23 0.31 -4.67 120.40 109.02 1jcf s VAL 102 Ca 0.57 -1.38 -0.21 0.00 -1.81 0.00 0.00 61.98 59.15 1jcf s VAL 102 Cb -0.16 -1.15 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 1jcf s VAL 102 CO 0.21 -0.76 1.04 -2.16 -0.31 0.00 0.00 175.10 173.11 1jcf s PRO 103 N -3.21 3.85 0.34 4.82 0.04 -1.26 -0.77 135.00 138.81 1jcf s PRO 103 Ca 0.00 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.44 1jcf s PRO 103 Cb 0.03 -2.13 0.62 0.00 0.04 0.00 0.00 34.50 33.05 1jcf s PRO 103 CO -0.07 -0.39 1.92 0.82 0.04 0.00 0.00 177.00 179.32 1jcf h ILE 104 N 1.62 1.18 0.00 0.56 2.04 -1.95 -2.42 117.51 118.54 1jcf h ILE 104 Ca -0.49 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1jcf h ILE 104 Cb 1.22 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1jcf h ILE 104 CO 0.59 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.58 1jcf n GLY 105 N -1.08 0.93 3.76 5.37 0.00 -1.26 -4.87 105.19 108.05 1jcf n GLY 105 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1jcf n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jcf s ILE 106 N -1.21 3.41 0.60 -0.61 2.07 -0.91 -5.04 121.20 119.51 1jcf s ILE 106 Ca 0.00 1.39 -0.06 0.00 -1.41 0.00 0.00 60.65 60.56 1jcf s ILE 106 Cb 0.00 -3.87 0.01 0.00 0.13 0.00 0.00 42.46 38.73 1jcf s ILE 106 CO 0.00 0.31 0.92 0.42 -1.91 0.00 0.00 174.94 174.67 1jcf s THR 107 N -1.20 3.67 0.37 4.00 -4.23 -1.26 -4.89 115.64 112.11 1jcf s THR 107 Ca 0.46 0.06 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1jcf s THR 107 Cb -0.32 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.31 1jcf s THR 107 CO 0.41 -0.49 2.02 0.44 -0.54 0.00 0.00 174.62 176.46 1jcf h ASP 108 N -0.21 0.60 -0.35 3.99 3.32 -1.98 0.13 116.42 121.92 1jcf h ASP 108 Ca -0.45 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 1jcf h ASP 108 Cb 1.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1jcf h ASP 108 CO 0.61 0.45 -0.08 0.58 -1.72 0.00 0.00 179.24 179.08 1jcf h VAL 109 N 0.70 1.28 -0.15 -1.35 2.07 -1.99 -1.00 116.25 115.81 1jcf h VAL 109 Ca 0.19 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 1jcf h VAL 109 Cb -0.05 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jcf h VAL 109 CO -0.04 0.37 -0.28 -0.33 0.02 0.00 0.00 177.57 177.32 1jcf h GLU 110 N 0.46 0.27 -0.23 1.57 5.08 -1.76 -1.88 114.58 118.10 1jcf h GLU 110 Ca 0.09 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1jcf h GLU 110 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1jcf h GLU 110 CO 0.03 0.53 -0.02 0.00 -1.00 0.00 0.00 179.01 178.56 1jcf h ARG 111 N 0.24 0.41 -0.64 2.33 3.08 -0.47 -2.80 114.38 116.53 1jcf h ARG 111 Ca 0.04 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1jcf h ARG 111 Cb 0.62 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1jcf h ARG 111 CO 0.04 0.62 0.17 -0.09 -1.07 0.00 0.00 179.97 179.65 1jcf h ARG 112 N 0.17 0.99 -0.95 0.04 9.65 -1.00 -1.81 114.38 121.46 1jcf h ARG 112 Ca 0.06 -0.21 0.02 0.00 -1.10 0.00 0.00 59.98 58.75 1jcf h ARG 112 Cb 0.45 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.83 1jcf h ARG 112 CO 0.02 0.87 0.63 0.00 2.80 0.00 0.00 179.97 184.28 1jcf h ALA 113 N 1.23 1.35 -0.09 2.80 0.00 -1.25 0.06 119.26 123.36 1jcf h ALA 113 Ca 0.21 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 1jcf h ALA 113 Cb 0.31 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jcf h ALA 113 CO -0.00 0.59 -0.83 0.82 0.00 0.00 0.00 179.25 179.82 1jcf h ILE 114 N 1.25 1.32 -0.45 0.00 2.04 -1.21 -1.48 117.51 118.98 1jcf h ILE 114 Ca 0.36 -2.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.07 1jcf h ILE 114 Cb -0.09 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1jcf h ILE 114 CO -0.09 0.66 0.17 -0.07 0.00 0.00 0.00 178.15 178.81 1jcf h LEU 115 N 0.41 0.63 -0.55 1.44 3.38 -0.94 -0.36 115.31 119.31 1jcf h LEU 115 Ca -0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1jcf h LEU 115 Cb 1.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1jcf h LEU 115 CO 0.16 0.63 0.16 0.44 0.09 0.00 0.00 178.44 179.92 1jcf h ASP 116 N 0.58 0.82 -0.98 -0.43 3.32 -0.98 -1.85 116.42 116.90 1jcf h ASP 116 Ca 0.15 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1jcf h ASP 116 Cb 0.21 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1jcf h ASP 116 CO -0.01 0.82 0.64 0.00 -1.72 0.00 0.00 179.24 178.97 1jcf h ALA 117 N 1.03 1.24 -0.34 3.45 0.00 -1.00 0.17 119.26 123.80 1jcf h ALA 117 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jcf h ALA 117 Cb 0.31 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jcf h ALA 117 CO -0.00 0.64 0.19 0.78 0.00 0.00 0.00 179.25 180.86 1jcf h GLY 118 N 1.33 0.51 0.88 0.00 0.00 -0.60 0.16 103.07 105.34 1jcf h GLY 118 Ca 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1jcf h GLY 118 CO -0.08 0.22 0.03 1.41 0.00 0.00 0.00 176.54 178.13 1jcf h LEU 119 N 0.43 0.46 -1.60 3.11 3.38 -0.84 -2.41 115.31 117.84 1jcf h LEU 119 Ca 0.12 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1jcf h LEU 119 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jcf h LEU 119 CO -0.02 0.61 -0.22 -0.33 0.09 0.00 0.00 178.44 178.58 1jcf h GLU 120 N 0.28 0.00 0.00 1.13 5.08 -0.84 -2.21 114.58 118.03 1jcf h GLU 120 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1jcf h GLU 120 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jcf h GLU 120 CO 0.01 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1jcf n ALA 121 N -2.43 2.34 0.00 3.43 0.00 0.57 -4.88 120.51 119.54 1jcf n ALA 121 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1jcf n ALA 121 Cb 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1jcf n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcf n GLY 122 N 0.73 0.89 3.78 0.00 0.00 -0.83 -4.61 105.19 105.15 1jcf n GLY 122 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1jcf n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcf s ALA 123 N -2.00 3.18 0.07 4.61 0.00 -0.94 -4.20 121.76 122.49 1jcf s ALA 123 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1jcf s ALA 123 Cb 0.00 -3.22 -0.26 0.00 0.00 0.00 0.00 23.12 19.64 1jcf s ALA 123 CO 0.00 0.02 1.12 0.66 0.00 0.00 0.00 175.76 177.56 1jcf h SER 124 N 2.99 0.27 -3.68 0.00 4.64 -0.97 -3.42 113.55 113.37 1jcf h SER 124 Ca -0.47 -0.30 -0.17 0.00 -0.47 0.00 0.00 61.79 60.38 1jcf h SER 124 Cb 1.20 -0.09 -0.27 0.00 -0.31 0.00 0.00 62.40 62.94 1jcf h SER 124 CO 0.64 1.24 -0.43 -0.75 -0.87 0.00 0.00 176.83 176.67 1jcf s LYS 125 N -2.66 0.28 0.00 4.77 2.20 -1.24 -4.55 119.74 118.54 1jcf s LYS 125 Ca -0.03 0.42 0.07 0.00 -0.36 0.00 0.00 55.97 56.08 1jcf s LYS 125 Cb 0.08 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 1jcf s LYS 125 CO 0.86 -0.07 -0.23 0.08 -0.36 0.00 0.00 175.35 175.62 1jcf s VAL 126 N 0.49 1.81 0.07 4.02 1.01 -0.10 -0.43 120.40 127.27 1jcf s VAL 126 Ca -0.03 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.93 1jcf s VAL 126 Cb -0.04 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1jcf s VAL 126 CO -0.03 0.43 -0.13 -0.36 0.00 0.00 0.00 175.10 175.01 1jcf s PHE 127 N -0.62 1.16 -0.08 5.22 0.40 0.36 -0.85 117.98 123.57 1jcf s PHE 127 Ca 0.09 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1jcf s PHE 127 Cb -0.09 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 42.76 1jcf s PHE 127 CO 0.00 0.04 -0.09 -0.51 0.70 0.00 0.00 175.22 175.36 1jcf s LEU 128 N -1.75 3.02 -0.02 -0.37 1.43 -0.43 -0.94 118.68 119.62 1jcf s LEU 128 Ca -0.02 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1jcf s LEU 128 Cb -0.10 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1jcf s LEU 128 CO 0.02 0.32 -0.09 -0.51 0.23 0.00 0.00 176.35 176.32 1jcf s ILE 129 N -0.55 0.75 0.22 -0.59 2.07 -0.44 -4.03 121.20 118.63 1jcf s ILE 129 Ca 0.08 -0.37 -0.31 0.00 -1.41 0.00 0.00 60.65 58.65 1jcf s ILE 129 Cb -0.12 -0.66 -0.10 0.00 0.13 0.00 0.00 42.46 41.71 1jcf s ILE 129 CO 0.02 0.23 1.49 -1.61 -1.91 0.00 0.00 174.94 173.16 1jcf s GLU 130 N 0.05 4.24 0.17 3.50 8.01 -1.26 -0.53 118.70 132.89 1jcf s GLU 130 Ca -0.01 2.33 -0.15 0.00 0.01 0.00 0.00 54.97 57.16 1jcf s GLU 130 Cb -0.07 -3.12 0.14 0.00 -4.31 0.00 0.00 34.13 26.77 1jcf s GLU 130 CO 0.00 -0.50 1.69 0.93 0.01 0.00 0.00 175.26 177.39 1jcf h GLU 131 N 5.64 0.09 -0.56 1.61 5.08 -1.29 -0.92 114.58 124.22 1jcf h GLU 131 Ca -0.45 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1jcf h GLU 131 Cb 1.21 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1jcf h GLU 131 CO 0.83 0.06 0.37 -1.00 -1.00 0.00 0.00 179.01 178.26 1jcf h PRO 132 N 0.09 0.73 -0.12 2.33 0.13 -1.91 0.51 132.00 133.76 1jcf h PRO 132 Ca 0.22 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1jcf h PRO 132 Cb 0.32 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 1jcf h PRO 132 CO -0.38 0.48 0.01 1.98 -0.23 0.00 0.00 178.00 179.86 1jcf h MET 133 N 0.75 0.21 -0.65 0.86 1.85 -1.75 0.26 114.93 116.45 1jcf h MET 133 Ca 0.20 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.23 1jcf h MET 133 Cb -0.08 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 1jcf h MET 133 CO -0.04 0.44 0.41 0.00 -0.40 0.00 0.00 176.91 177.31 1jcf h ALA 134 N 0.76 0.83 -0.64 0.39 0.00 -0.53 -0.73 119.26 119.34 1jcf h ALA 134 Ca 0.03 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jcf h ALA 134 Cb 0.34 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1jcf h ALA 134 CO 0.00 0.29 0.37 0.00 0.00 0.00 0.00 179.25 179.91 1jcf h ALA 135 N 1.21 0.84 -0.43 0.00 0.00 0.23 0.22 119.26 121.33 1jcf h ALA 135 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1jcf h ALA 135 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jcf h ALA 135 CO -0.05 0.08 0.05 0.00 0.00 0.00 0.00 179.25 179.34 1jcf h ALA 136 N 1.31 0.58 -0.28 0.00 0.00 -0.38 -1.84 119.26 118.64 1jcf h ALA 136 Ca 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jcf h ALA 136 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jcf h ALA 136 CO -0.14 0.32 0.05 0.82 0.00 0.00 0.00 179.25 180.30 1jcf h ILE 137 N 0.58 1.23 0.00 0.00 2.04 -0.76 -0.47 117.51 120.13 1jcf h ILE 137 Ca 0.13 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1jcf h ILE 137 Cb 0.41 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1jcf h ILE 137 CO 0.01 0.25 0.00 1.23 0.00 0.00 0.00 178.15 179.64 1jcf h GLY 138 N 0.28 0.00 -2.49 5.37 0.00 -0.44 0.20 103.07 105.98 1jcf h GLY 138 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1jcf h GLY 138 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1jcf n SER 139 N -2.61 4.05 -2.23 0.19 7.64 -0.70 -4.75 113.62 115.20 1jcf n SER 139 Ca -0.01 -2.21 -0.19 0.00 1.01 0.00 0.00 58.87 57.47 1jcf n SER 139 Cb 0.11 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 1jcf n SER 139 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jcf n ASN 140 N 1.13 -5.35 -4.72 6.43 4.13 0.06 -4.95 115.26 111.99 1jcf n ASN 140 Ca 0.22 0.12 -0.41 0.00 1.68 0.00 0.00 54.58 56.19 1jcf n ASN 140 Cb 0.69 -4.53 -0.04 0.00 -1.54 0.00 0.00 39.78 34.37 1jcf n ASN 140 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jcf s LEU 141 N -5.65 4.45 -1.11 3.41 1.43 -0.24 -4.90 118.68 116.07 1jcf s LEU 141 Ca 0.00 1.80 -0.20 0.00 -1.03 0.00 0.00 54.13 54.70 1jcf s LEU 141 Cb 0.00 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 1jcf s LEU 141 CO 0.00 -0.16 1.96 0.59 0.23 0.00 0.00 176.35 178.96 1jcf n ASN 142 N 3.15 3.36 0.26 2.29 3.02 -1.26 -4.48 115.26 121.61 1jcf n ASN 142 Ca 0.04 -2.76 0.18 0.00 -0.03 0.00 0.00 54.58 52.00 1jcf n ASN 142 Cb 0.49 -1.50 0.92 0.00 -0.61 0.00 0.00 39.78 39.09 1jcf n ASN 142 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1jcf h VAL 143 N 5.00 0.36 0.00 2.41 -1.51 -1.90 -2.08 116.25 118.52 1jcf h VAL 143 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.88 1jcf h VAL 143 Cb 0.77 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1jcf h VAL 143 CO 1.67 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 177.39 1jcf n GLU 144 N -3.60 0.16 -2.71 5.19 1.02 -1.26 0.14 120.64 119.59 1jcf n GLU 144 Ca -0.01 0.16 -0.33 0.00 -0.02 0.00 0.00 57.16 56.96 1jcf n GLU 144 Cb 0.22 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 1jcf n GLU 144 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1jcf s GLU 145 N -3.08 4.11 -1.25 3.49 2.02 -0.78 -3.98 118.70 119.23 1jcf s GLU 145 Ca 0.11 1.02 -0.09 0.00 0.02 0.00 0.00 54.97 56.03 1jcf s GLU 145 Cb 0.14 -2.19 -0.11 0.00 0.10 0.00 0.00 34.13 32.08 1jcf s GLU 145 CO 0.55 -0.09 3.06 -0.35 0.02 0.00 0.00 175.26 178.45 1jcf n PRO 146 N -0.94 3.40 -4.29 0.39 -0.04 -1.26 -1.65 135.00 130.60 1jcf n PRO 146 Ca 0.06 -2.05 -0.23 0.00 -0.04 0.00 0.00 63.50 61.24 1jcf n PRO 146 Cb 0.54 -2.61 -0.17 0.00 -0.04 0.00 0.00 33.50 31.22 1jcf n PRO 146 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jcf s SER 147 N 1.96 1.50 -0.03 3.54 0.15 -1.26 -4.96 113.70 114.60 1jcf s SER 147 Ca 0.68 -0.22 -0.34 0.00 0.70 0.00 0.00 55.95 56.76 1jcf s SER 147 Cb 0.21 -0.66 -0.13 0.00 -1.71 0.00 0.00 66.02 63.74 1jcf s SER 147 CO -0.05 -0.03 1.79 0.61 1.20 0.00 0.00 173.24 176.75 1jcf n GLY 148 N 4.12 1.33 2.81 9.45 0.00 -1.26 -4.54 105.19 117.09 1jcf n GLY 148 Ca -0.22 0.81 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 1jcf n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcf s ASN 149 N 3.15 4.15 -0.12 1.61 0.01 -0.46 -4.45 114.94 118.82 1jcf s ASN 149 Ca 0.89 -2.09 -0.20 0.00 -0.71 0.00 0.00 52.86 50.75 1jcf s ASN 149 Cb -0.71 -1.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 1jcf s ASN 149 CO 0.48 -0.36 0.59 -0.32 -1.51 0.00 0.00 177.10 175.98 1jcf s MET 150 N 1.02 4.34 -0.09 -0.60 -2.45 -1.26 -0.52 119.30 119.74 1jcf s MET 150 Ca 0.12 0.63 0.04 0.00 -1.25 0.00 0.00 55.69 55.23 1jcf s MET 150 Cb -0.20 -3.47 0.00 0.00 1.25 0.00 0.00 34.83 32.41 1jcf s MET 150 CO -0.13 0.03 -0.21 0.08 1.05 0.00 0.00 175.02 175.84 1jcf s VAL 151 N 0.99 1.81 -0.33 10.11 1.01 -0.19 -0.90 120.40 132.90 1jcf s VAL 151 Ca 0.30 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1jcf s VAL 151 Cb -0.16 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.69 1jcf s VAL 151 CO 0.13 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 175.10 1jcf s VAL 152 N 0.44 3.27 -0.26 2.92 1.01 0.94 -1.49 120.40 127.22 1jcf s VAL 152 Ca -0.18 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 60.35 1jcf s VAL 152 Cb -0.17 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1jcf s VAL 152 CO 0.07 -0.21 0.02 -0.62 0.00 0.00 0.00 175.10 174.36 1jcf s ASP 153 N 1.39 4.75 -0.27 3.32 2.15 0.16 -1.10 116.67 127.06 1jcf s ASP 153 Ca -0.02 -0.63 -0.01 0.00 0.43 0.00 0.00 52.55 52.31 1jcf s ASP 153 Cb -0.20 -1.80 0.04 0.00 -0.30 0.00 0.00 42.92 40.65 1jcf s ASP 153 CO -0.00 -0.12 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.20 1jcf s ILE 154 N 1.46 2.88 0.00 4.11 1.01 -0.71 0.11 121.20 130.06 1jcf s ILE 154 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1jcf s ILE 154 Cb -0.16 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1jcf s ILE 154 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1jcf n GLY 155 N 4.64 2.70 0.09 6.18 0.00 -0.44 -0.55 105.19 117.82 1jcf n GLY 155 Ca -0.15 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1jcf n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcf n GLY 156 N 5.00 -0.92 0.12 -0.02 0.00 -1.26 -1.41 105.19 106.70 1jcf n GLY 156 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1jcf n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcf n GLY 157 N 1.68 -0.62 3.13 -0.02 0.00 -1.26 -0.92 105.19 107.18 1jcf n GLY 157 Ca -0.23 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1jcf n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jcf s THR 158 N -2.53 0.17 -0.23 2.61 -4.23 -1.26 -4.02 115.64 106.14 1jcf s THR 158 Ca -0.23 -1.37 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1jcf s THR 158 Cb 0.08 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 1jcf s THR 158 CO 0.71 -0.75 0.03 -0.89 -0.54 0.00 0.00 174.62 173.18 1jcf s THR 159 N -3.43 4.03 -0.13 3.99 2.01 -0.05 -1.32 115.64 120.75 1jcf s THR 159 Ca 0.02 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1jcf s THR 159 Cb 0.04 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1jcf s THR 159 CO -0.08 0.37 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.48 1jcf s GLU 160 N 1.48 3.35 -0.14 4.92 0.41 0.29 -1.98 118.70 127.04 1jcf s GLU 160 Ca 0.05 -0.69 0.01 0.00 -0.41 0.00 0.00 54.97 53.94 1jcf s GLU 160 Cb -0.15 -2.61 0.02 0.00 -1.78 0.00 0.00 34.13 29.61 1jcf s GLU 160 CO 0.02 0.22 -0.17 0.08 -0.49 0.00 0.00 175.26 174.92 1jcf s VAL 161 N 0.32 1.73 -0.04 2.63 1.01 -0.33 0.37 120.40 126.09 1jcf s VAL 161 Ca -0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1jcf s VAL 161 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1jcf s VAL 161 CO 0.06 0.49 0.14 0.00 0.00 0.00 0.00 175.10 175.79 1jcf s ALA 162 N 1.14 -0.35 -0.28 5.51 0.00 -0.55 -1.15 121.76 126.08 1jcf s ALA 162 Ca -0.02 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 1jcf s ALA 162 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1jcf s ALA 162 CO -0.06 -0.10 0.16 0.08 0.00 0.00 0.00 175.76 175.83 1jcf s VAL 163 N -0.28 4.98 -0.10 0.00 1.01 -0.16 -1.02 120.40 124.83 1jcf s VAL 163 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1jcf s VAL 163 Cb -0.03 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1jcf s VAL 163 CO 0.00 0.25 0.03 -0.63 0.00 0.00 0.00 175.10 174.75 1jcf s ILE 164 N 1.71 4.54 -0.26 2.22 1.01 0.33 -0.63 121.20 130.12 1jcf s ILE 164 Ca 0.07 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 1jcf s ILE 164 Cb -0.16 -2.93 0.07 0.00 0.01 0.00 0.00 42.46 39.45 1jcf s ILE 164 CO 0.09 0.60 0.68 -0.55 0.00 0.00 0.00 174.94 175.75 1jcf s SER 165 N -0.81 -0.77 -1.34 3.58 0.15 -0.48 -1.36 113.70 112.67 1jcf s SER 165 Ca 0.13 1.40 -0.01 0.00 0.70 0.00 0.00 55.95 58.16 1jcf s SER 165 Cb -0.12 1.38 0.01 0.00 -1.71 0.00 0.00 66.02 65.58 1jcf s SER 165 CO 0.02 -0.24 0.69 0.18 1.20 0.00 0.00 173.24 175.10 1jcf n LEU 166 N 3.17 -2.95 -0.81 3.45 4.77 -0.66 -1.81 117.00 122.15 1jcf n LEU 166 Ca -0.16 -0.84 -0.11 0.00 -0.03 0.00 0.00 56.01 54.88 1jcf n LEU 166 Cb 0.56 -2.60 -0.05 0.00 -2.33 0.00 0.00 43.42 39.00 1jcf n LEU 166 CO 0.03 0.42 -0.10 0.61 -1.33 0.00 0.00 177.39 177.01 1jcf n GLY 167 N -1.63 1.07 3.20 -0.72 0.00 0.38 -4.87 105.19 102.62 1jcf n GLY 167 Ca -0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1jcf n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jcf s SER 168 N -2.47 0.21 -0.19 1.61 0.01 -0.75 -4.95 113.70 107.17 1jcf s SER 168 Ca 0.00 -1.22 -0.15 0.00 1.31 0.00 0.00 55.95 55.89 1jcf s SER 168 Cb 0.00 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 1jcf s SER 168 CO 0.00 -0.80 0.36 -0.63 0.41 0.00 0.00 173.24 172.59 1jcf s ILE 169 N -4.07 5.23 -0.19 1.44 1.01 -1.26 -1.38 121.20 121.98 1jcf s ILE 169 Ca 0.28 0.65 -0.17 0.00 0.00 0.00 0.00 60.65 61.41 1jcf s ILE 169 Cb 0.07 -3.70 -0.13 0.00 0.01 0.00 0.00 42.46 38.70 1jcf s ILE 169 CO 0.05 0.29 0.07 0.52 0.00 0.00 0.00 174.94 175.87 1jcf n VAL 170 N 4.13 1.49 -4.15 2.92 0.31 0.20 -4.97 118.33 118.26 1jcf n VAL 170 Ca -0.09 0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.14 1jcf n VAL 170 Cb 0.51 -2.16 -0.11 0.00 -0.91 0.00 0.00 33.84 31.17 1jcf n VAL 170 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jcf s THR 171 N -2.32 0.89 0.12 2.52 -4.23 -1.23 -5.00 115.64 106.38 1jcf s THR 171 Ca -0.24 -1.47 -0.26 0.00 -1.18 0.00 0.00 61.69 58.54 1jcf s THR 171 Cb 0.05 -1.16 0.07 0.00 1.34 0.00 0.00 72.50 72.80 1jcf s THR 171 CO 0.46 -0.47 0.95 -1.66 -0.54 0.00 0.00 174.62 173.36 1jcf s TRP 172 N -2.04 -0.18 -0.07 3.99 1.48 -1.26 -0.99 118.94 119.88 1jcf s TRP 172 Ca 0.01 -0.09 -0.06 0.00 -1.06 0.00 0.00 56.10 54.90 1jcf s TRP 172 Cb -0.05 0.62 0.02 0.00 -1.16 0.00 0.00 33.47 32.89 1jcf s TRP 172 CO 0.00 -0.76 0.18 -1.21 -4.06 0.00 0.00 176.95 171.11 1jcf s GLU 173 N -3.24 0.20 -0.16 3.25 0.41 -0.30 -4.92 118.70 113.94 1jcf s GLU 173 Ca 0.11 0.29 -0.04 0.00 -0.41 0.00 0.00 54.97 54.92 1jcf s GLU 173 Cb -0.01 0.06 0.06 0.00 -1.78 0.00 0.00 34.13 32.45 1jcf s GLU 173 CO -0.00 -0.05 0.06 0.45 -0.49 0.00 0.00 175.26 175.23 1jcf s SER 174 N 0.29 2.41 0.07 -0.19 0.15 -1.26 -1.18 113.70 113.99 1jcf s SER 174 Ca -0.02 -0.60 0.09 0.00 0.70 0.00 0.00 55.95 56.12 1jcf s SER 174 Cb -0.03 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.86 1jcf s SER 174 CO -0.01 -0.31 -0.22 0.27 1.20 0.00 0.00 173.24 174.17 1jcf s ILE 175 N 2.02 2.52 -0.31 6.45 -4.36 -0.84 -4.85 121.20 121.84 1jcf s ILE 175 Ca 0.01 -1.40 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1jcf s ILE 175 Cb -0.16 -2.07 0.10 0.00 1.25 0.00 0.00 42.46 41.58 1jcf s ILE 175 CO -0.08 0.26 2.44 0.54 0.24 0.00 0.00 174.94 178.35 1jcf n ARG 176 N 1.38 1.98 -3.88 0.37 1.74 -1.26 -0.87 116.66 116.12 1jcf n ARG 176 Ca -0.17 -1.68 -0.29 0.00 -0.77 0.00 0.00 57.85 54.95 1jcf n ARG 176 Cb 0.52 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 30.01 1jcf n ARG 176 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jcf s ILE 177 N -1.80 1.19 0.00 0.55 1.01 -1.26 -4.86 121.20 116.04 1jcf s ILE 177 Ca 0.42 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1jcf s ILE 177 Cb 0.28 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1jcf s ILE 177 CO -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 174.94 174.78 1jcf n ALA 178 N 4.81 0.00 -0.28 9.38 0.00 -1.26 -3.72 120.51 129.44 1jcf n ALA 178 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1jcf n ALA 178 Cb 0.46 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.04 1jcf n ALA 178 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jcf h GLY 179 N 0.00 0.72 1.03 0.00 0.00 -1.21 -0.86 103.07 102.76 1jcf h GLY 179 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1jcf h GLY 179 CO 0.00 -0.32 0.49 -0.55 0.00 0.00 0.00 176.54 176.17 1jcf h ASP 180 N 0.04 1.13 0.85 0.19 3.32 -1.29 -2.05 116.42 118.59 1jcf h ASP 180 Ca 0.41 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1jcf h ASP 180 Cb 0.69 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1jcf h ASP 180 CO -0.77 0.90 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.16 1jcf h GLU 181 N 1.26 0.00 -0.08 3.56 3.07 -1.43 -2.00 114.58 118.96 1jcf h GLU 181 Ca 0.32 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 1jcf h GLU 181 Cb 0.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1jcf h GLU 181 CO -0.05 0.16 -0.47 0.52 -1.40 0.00 0.00 179.01 177.77 1jcf h MET 182 N 0.00 0.46 -0.21 2.33 2.86 -0.64 -1.10 114.93 118.62 1jcf h MET 182 Ca -0.00 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1jcf h MET 182 Cb 0.62 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1jcf h MET 182 CO 0.02 1.02 0.14 -0.44 1.06 0.00 0.00 176.91 178.71 1jcf h ASP 183 N 0.02 0.25 -0.88 1.22 3.45 -1.28 -1.91 116.42 117.30 1jcf h ASP 183 Ca -0.04 -0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.47 1jcf h ASP 183 Cb 1.13 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 39.77 1jcf h ASP 183 CO 0.10 0.20 0.54 -0.08 -1.57 0.00 0.00 179.24 178.43 1jcf h GLU 184 N 0.28 0.95 -0.62 3.56 4.81 -1.37 -1.05 114.58 121.14 1jcf h GLU 184 Ca 0.08 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1jcf h GLU 184 Cb -0.01 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1jcf h GLU 184 CO -0.02 0.63 0.12 0.00 -0.73 0.00 0.00 179.01 179.02 1jcf h ALA 185 N 1.42 1.06 -0.31 2.92 0.00 -0.79 -0.85 119.26 122.71 1jcf h ALA 185 Ca 0.39 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1jcf h ALA 185 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jcf h ALA 185 CO -0.18 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.48 1jcf h ILE 186 N 0.93 1.27 -0.44 0.00 2.04 -0.55 0.42 117.51 121.18 1jcf h ILE 186 Ca 0.19 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1jcf h ILE 186 Cb 0.37 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1jcf h ILE 186 CO 0.01 0.32 0.17 0.58 0.00 0.00 0.00 178.15 179.23 1jcf h VAL 187 N 0.35 0.88 -0.65 1.67 2.07 -0.97 -1.89 116.25 117.72 1jcf h VAL 187 Ca 0.08 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1jcf h VAL 187 Cb 0.48 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1jcf h VAL 187 CO 0.02 0.06 0.21 -0.61 0.02 0.00 0.00 177.57 177.27 1jcf h GLN 188 N 0.35 1.00 -0.36 1.57 4.15 -0.94 -1.91 115.11 118.97 1jcf h GLN 188 Ca 0.20 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1jcf h GLN 188 Cb 0.18 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1jcf h GLN 188 CO -0.19 0.88 0.23 -0.92 -1.93 0.00 0.00 178.83 176.89 1jcf h TYR 189 N 0.93 0.47 -0.53 3.99 3.20 -0.53 -0.50 116.97 124.00 1jcf h TYR 189 Ca 0.21 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1jcf h TYR 189 Cb 0.29 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1jcf h TYR 189 CO 0.02 0.32 0.29 0.28 -1.64 0.00 0.00 178.16 177.43 1jcf h VAL 190 N 0.48 1.18 -0.02 1.81 2.07 -1.22 0.43 116.25 120.98 1jcf h VAL 190 Ca 0.13 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1jcf h VAL 190 Cb -0.02 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1jcf h VAL 190 CO -0.03 0.20 0.01 -0.09 0.02 0.00 0.00 177.57 177.68 1jcf h ARG 191 N 0.71 0.03 -0.27 1.57 2.43 -1.10 -0.85 114.38 116.90 1jcf h ARG 191 Ca 0.19 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 1jcf h ARG 191 Cb 0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1jcf h ARG 191 CO -0.03 0.12 -0.57 0.93 -1.51 0.00 0.00 179.97 178.91 1jcf h GLU 192 N -0.07 0.85 0.16 0.20 3.07 -0.92 0.12 114.58 118.00 1jcf h GLU 192 Ca 0.01 -0.56 -0.28 0.00 -0.50 0.00 0.00 59.36 58.03 1jcf h GLU 192 Cb 0.10 0.07 0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1jcf h GLU 192 CO -0.00 1.19 -1.21 1.15 -1.40 0.00 0.00 179.01 178.74 1jcf h THR 193 N 0.65 1.33 -0.01 1.13 2.02 -0.17 -3.39 112.91 114.48 1jcf h THR 193 Ca 0.01 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1jcf h THR 193 Cb 1.18 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.48 1jcf h THR 193 CO 0.13 0.75 -0.00 -1.22 0.37 0.00 0.00 175.52 175.55 1jcf n TYR 194 N -3.85 0.00 -3.72 3.16 4.02 -0.35 -4.99 117.16 111.42 1jcf n TYR 194 Ca -0.15 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.48 1jcf n TYR 194 Cb 0.98 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.35 1jcf n TYR 194 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1jcf n ARG 195 N 0.22 -6.72 -5.24 -0.72 5.12 0.41 -4.84 116.66 104.89 1jcf n ARG 195 Ca 0.02 0.72 -0.32 0.00 -1.93 0.00 0.00 57.85 56.35 1jcf n ARG 195 Cb 0.11 -5.70 -0.17 0.00 -1.16 0.00 0.00 32.46 25.54 1jcf n ARG 195 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1jcf s VAL 196 N -3.30 2.06 -0.23 1.55 1.01 -1.18 -0.18 120.40 120.13 1jcf s VAL 196 Ca 0.61 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1jcf s VAL 196 Cb -0.29 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1jcf s VAL 196 CO 0.76 0.56 0.38 0.00 0.00 0.00 0.00 175.10 176.80 1jcf s ALA 197 N 0.17 3.57 0.27 5.51 0.00 0.11 -2.98 121.76 128.40 1jcf s ALA 197 Ca -0.14 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1jcf s ALA 197 Cb -0.17 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1jcf s ALA 197 CO 0.07 -0.45 -0.14 0.96 0.00 0.00 0.00 175.76 176.20 1jcf s ILE 198 N 1.63 2.05 0.75 0.00 -4.36 -1.26 -1.24 121.20 118.76 1jcf s ILE 198 Ca 0.17 -2.26 -0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1jcf s ILE 198 Cb -0.15 -2.30 0.11 0.00 1.25 0.00 0.00 42.46 41.37 1jcf s ILE 198 CO 0.08 -0.41 1.05 -0.83 0.24 0.00 0.00 174.94 175.07 1jcf s GLY 199 N -3.45 1.74 0.22 6.27 0.00 -1.26 -4.95 107.32 105.89 1jcf s GLY 199 Ca 0.28 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.68 1jcf s GLY 199 CO 0.12 -0.75 1.66 -2.09 0.00 0.00 0.00 173.10 172.03 1jcf h GLU 200 N -0.72 0.83 -0.10 2.90 4.81 -1.95 -2.31 114.58 118.05 1jcf h GLU 200 Ca -0.42 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.38 1jcf h GLU 200 Cb 1.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1jcf h GLU 200 CO 0.49 0.92 -0.53 0.00 -0.73 0.00 0.00 179.01 179.17 1jcf h ARG 201 N 0.74 0.28 -0.38 1.92 3.08 -1.94 -1.31 114.38 116.78 1jcf h ARG 201 Ca 0.12 -0.17 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1jcf h ARG 201 Cb 0.65 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1jcf h ARG 201 CO 0.05 0.74 -0.36 1.15 -1.07 0.00 0.00 179.97 180.48 1jcf h THR 202 N 0.22 1.28 -0.62 2.04 2.02 -1.92 -1.58 112.91 114.35 1jcf h THR 202 Ca 0.01 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 1jcf h THR 202 Cb 1.00 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1jcf h THR 202 CO 0.08 0.51 0.28 0.00 0.37 0.00 0.00 175.52 176.77 1jcf h ALA 203 N 0.77 0.80 -0.73 6.16 0.00 -1.24 -1.07 119.26 123.95 1jcf h ALA 203 Ca 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jcf h ALA 203 Cb 0.95 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1jcf h ALA 203 CO 0.09 0.38 0.38 1.49 0.00 0.00 0.00 179.25 181.59 1jcf h GLU 204 N 0.86 1.03 -0.71 0.00 4.81 -1.12 -0.73 114.58 118.71 1jcf h GLU 204 Ca 0.21 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1jcf h GLU 204 Cb 0.14 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1jcf h GLU 204 CO -0.02 0.78 0.40 -0.09 -0.73 0.00 0.00 179.01 179.35 1jcf h ARG 205 N 1.01 0.97 -0.71 1.92 2.43 -0.83 -1.04 114.38 118.13 1jcf h ARG 205 Ca 0.25 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1jcf h ARG 205 Cb 0.07 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1jcf h ARG 205 CO -0.04 0.72 0.43 0.28 -1.51 0.00 0.00 179.97 179.85 1jcf h VAL 206 N 0.97 1.20 -0.35 0.20 2.07 -0.63 0.52 116.25 120.23 1jcf h VAL 206 Ca 0.25 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1jcf h VAL 206 Cb 0.01 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1jcf h VAL 206 CO -0.04 0.21 0.14 0.50 0.02 0.00 0.00 177.57 178.40 1jcf h LYS 207 N 0.97 0.30 -0.28 1.57 3.64 -0.50 -0.12 116.57 122.15 1jcf h LYS 207 Ca 0.25 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1jcf h LYS 207 Cb -0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1jcf h LYS 207 CO -0.05 0.20 0.00 0.82 -2.27 0.00 0.00 179.45 178.15 1jcf h ILE 208 N 0.31 1.25 -0.13 2.00 2.04 -0.79 0.12 117.51 122.31 1jcf h ILE 208 Ca 0.15 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.99 1jcf h ILE 208 Cb 0.10 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1jcf h ILE 208 CO -0.14 0.29 -0.33 -0.33 0.00 0.00 0.00 178.15 177.65 1jcf h GLU 209 N 0.27 0.45 0.00 2.37 5.08 -0.68 -3.39 114.58 118.68 1jcf h GLU 209 Ca 0.08 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1jcf h GLU 209 Cb 0.42 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jcf h GLU 209 CO 0.01 0.93 -0.01 0.44 -1.00 0.00 0.00 179.01 179.38 1jcf n ILE 210 N -4.37 0.50 -1.74 3.13 -5.35 -0.08 -4.95 119.36 106.50 1jcf n ILE 210 Ca -0.07 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.49 1jcf n ILE 210 Cb 0.49 0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 39.11 1jcf n ILE 210 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1jcf s GLY 211 N -0.52 1.67 0.03 3.28 0.00 0.41 -4.67 107.32 107.52 1jcf s GLY 211 Ca 0.00 1.60 -0.28 0.00 0.00 0.00 0.00 44.72 46.05 1jcf s GLY 211 CO 0.00 2.72 0.69 0.54 0.00 0.00 0.00 173.10 177.05 1jcf s ASN 212 N 0.83 -0.58 0.00 1.64 4.22 -1.26 -2.33 114.94 117.46 1jcf s ASN 212 Ca 0.69 0.35 0.00 0.00 -2.14 0.00 0.00 52.86 51.76 1jcf s ASN 212 Cb -0.49 0.54 0.00 0.00 1.28 0.00 0.00 41.25 42.57 1jcf s ASN 212 CO 0.41 -0.74 0.46 1.33 -2.04 0.00 0.00 177.10 176.52 1jcf n VAL 213 N 0.29 0.21 -4.39 3.54 0.24 -0.54 -3.92 118.33 113.76 1jcf n VAL 213 Ca -0.17 -0.37 -0.32 0.00 -2.04 0.00 0.00 64.34 61.45 1jcf n VAL 213 Cb 0.61 1.18 -0.16 0.00 -1.47 0.00 0.00 33.84 33.99 1jcf n VAL 213 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1jcf s PHE 214 N -0.21 2.55 0.11 6.34 5.36 -1.24 -4.92 117.98 125.96 1jcf s PHE 214 Ca 0.00 -1.38 -0.31 0.00 -0.96 0.00 0.00 56.93 54.28 1jcf s PHE 214 Cb 0.00 -1.77 -0.08 0.00 -0.34 0.00 0.00 43.02 40.82 1jcf s PHE 214 CO 0.00 -0.67 1.51 -1.25 -1.46 0.00 0.00 175.22 173.36 1jcf s PRO 215 N 1.07 4.25 -0.05 10.12 0.04 -1.26 -4.82 135.00 144.36 1jcf s PRO 215 Ca -0.02 2.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 1jcf s PRO 215 Cb -0.14 -3.34 0.10 0.00 0.04 0.00 0.00 34.50 31.16 1jcf s PRO 215 CO -0.07 -0.58 0.86 -1.54 0.04 0.00 0.00 177.00 175.71 1jcf s SER 216 N 1.53 -0.44 0.23 6.66 1.04 -1.26 -5.02 113.70 116.44 1jcf s SER 216 Ca 0.69 0.26 -0.07 0.00 0.48 0.00 0.00 55.95 57.30 1jcf s SER 216 Cb -0.39 0.40 0.23 0.00 0.10 0.00 0.00 66.02 66.36 1jcf s SER 216 CO 0.31 -0.56 1.90 0.50 0.98 0.00 0.00 173.24 176.37 1jcf h LYS 217 N 2.37 1.16 -0.20 4.02 3.64 -1.98 -0.46 116.57 125.12 1jcf h LYS 217 Ca -0.23 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1jcf h LYS 217 Cb 1.20 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1jcf h LYS 217 CO 0.33 0.77 -0.01 0.93 -2.27 0.00 0.00 179.45 179.20 1jcf h GLU 218 N 1.20 0.05 -0.55 1.90 5.08 -1.97 -0.64 114.58 119.65 1jcf h GLU 218 Ca 0.34 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1jcf h GLU 218 Cb -0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1jcf h GLU 218 CO -0.08 0.03 -0.08 -0.91 -1.00 0.00 0.00 179.01 176.97 1jcf h ASN 219 N 0.05 1.01 0.22 1.42 2.35 -1.78 -2.84 115.58 116.01 1jcf h ASN 219 Ca 0.09 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.48 1jcf h ASN 219 Cb 0.12 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1jcf h ASN 219 CO -0.17 1.11 -0.21 0.44 -1.65 0.00 0.00 177.43 176.95 1jcf h ASP 220 N 0.91 0.00 1.07 5.81 3.32 -0.74 -2.56 116.42 124.24 1jcf h ASP 220 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1jcf h ASP 220 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1jcf h ASP 220 CO 0.04 0.21 -0.10 -0.62 -1.72 0.00 0.00 179.24 177.06 1jcf n GLU 221 N -4.27 0.10 -2.06 3.56 -0.58 -0.28 -3.48 120.64 113.63 1jcf n GLU 221 Ca -0.02 0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 1jcf n GLU 221 Cb 0.27 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 1jcf n GLU 221 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1jcf s LEU 222 N -3.53 4.40 0.02 -4.62 1.43 -0.97 -4.83 118.68 110.58 1jcf s LEU 222 Ca 0.12 2.75 -0.15 0.00 -1.03 0.00 0.00 54.13 55.83 1jcf s LEU 222 Cb 0.17 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.74 1jcf s LEU 222 CO 0.58 -0.61 0.32 -1.83 0.23 0.00 0.00 176.35 175.03 1jcf s GLU 223 N -1.88 0.76 0.37 1.70 -1.05 -1.26 -0.17 118.70 117.18 1jcf s GLU 223 Ca 0.50 -0.36 -0.10 0.00 -0.15 0.00 0.00 54.97 54.86 1jcf s GLU 223 Cb -0.41 0.33 0.03 0.00 -0.44 0.00 0.00 34.13 33.65 1jcf s GLU 223 CO 0.55 -0.23 0.66 -0.08 0.95 0.00 0.00 175.26 177.10 1jcf s THR 224 N -2.04 0.00 0.12 1.83 -1.32 -0.72 -4.98 115.64 108.54 1jcf s THR 224 Ca -0.08 -1.26 0.08 0.00 -1.21 0.00 0.00 61.69 59.21 1jcf s THR 224 Cb -0.03 -2.80 -0.04 0.00 -1.51 0.00 0.00 72.50 68.13 1jcf s THR 224 CO -0.00 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 172.64 1jcf s THR 225 N -2.58 1.67 0.06 5.08 -4.23 -1.26 -0.70 115.64 113.68 1jcf s THR 225 Ca 0.22 -1.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.12 1jcf s THR 225 Cb -0.03 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 1jcf s THR 225 CO 0.16 -0.20 -0.17 0.68 -0.54 0.00 0.00 174.62 174.55 1jcf s VAL 226 N -1.57 1.40 0.01 2.29 -7.23 -0.12 -4.96 120.40 110.22 1jcf s VAL 226 Ca 0.09 -1.26 0.07 0.00 -1.81 0.00 0.00 61.98 59.07 1jcf s VAL 226 Cb -0.08 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 1jcf s VAL 226 CO 0.05 -0.02 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.17 1jcf s SER 227 N -1.49 2.42 0.00 4.85 0.01 -1.26 -1.06 113.70 117.17 1jcf s SER 227 Ca 0.03 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1jcf s SER 227 Cb -0.09 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1jcf s SER 227 CO 0.02 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1jcf n GLY 228 N 2.25 1.99 3.47 3.44 0.00 -0.16 -4.69 105.19 111.49 1jcf n GLY 228 Ca -0.16 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1jcf n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcf s ILE 229 N -0.44 3.56 -0.51 -0.61 -1.09 -0.38 -0.65 121.20 121.08 1jcf s ILE 229 Ca 0.00 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 1jcf s ILE 229 Cb 0.00 -2.52 0.03 0.00 -1.58 0.00 0.00 42.46 38.39 1jcf s ILE 229 CO 0.00 0.52 1.15 -0.62 -1.23 0.00 0.00 174.94 174.77 1jcf s ASP 230 N 0.14 6.57 0.00 3.58 -1.08 -0.28 0.07 116.67 125.67 1jcf s ASP 230 Ca -0.03 0.34 0.09 0.00 -0.52 0.00 0.00 52.55 52.42 1jcf s ASP 230 Cb -0.14 -2.55 0.41 0.00 -1.46 0.00 0.00 42.92 39.18 1jcf s ASP 230 CO 0.04 -1.33 1.20 0.18 0.52 0.00 0.00 175.17 175.78 1jcf n LEU 231 N 8.03 0.00 -0.01 -1.34 4.77 0.74 0.46 117.00 129.65 1jcf n LEU 231 Ca 0.11 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.32 1jcf n LEU 231 Cb 0.49 -0.38 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 1jcf n LEU 231 CO 0.72 -0.27 -0.64 0.28 -1.33 0.00 0.00 177.39 176.15 1jcf h SER 232 N 0.00 0.20 0.00 -1.43 0.02 -1.90 -3.40 113.55 107.03 1jcf h SER 232 Ca 0.00 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1jcf h SER 232 Cb 0.11 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1jcf h SER 232 CO 0.00 1.39 -1.08 0.35 -1.14 0.00 0.00 176.83 176.35 1jcf n THR 233 N -3.25 0.00 -0.99 -2.27 -2.24 -1.00 -4.99 114.28 99.54 1jcf n THR 233 Ca -0.23 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1jcf n THR 233 Cb 1.05 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1jcf n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jcf n GLY 234 N 1.80 0.94 3.86 3.38 0.00 0.17 -5.01 105.19 110.33 1jcf n GLY 234 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jcf n GLY 234 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jcf s LEU 235 N 0.00 4.17 0.63 0.99 1.43 -1.24 -4.77 118.68 119.89 1jcf s LEU 235 Ca 0.00 1.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.97 1jcf s LEU 235 Cb 0.00 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1jcf s LEU 235 CO 0.00 -0.08 1.23 -2.16 0.23 0.00 0.00 176.35 175.57 1jcf s PRO 236 N -2.73 2.75 -0.19 1.29 0.04 -1.26 -1.13 135.00 133.77 1jcf s PRO 236 Ca 0.48 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 63.24 1jcf s PRO 236 Cb -0.12 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1jcf s PRO 236 CO 0.20 -1.40 0.49 0.50 0.04 0.00 0.00 177.00 176.83 1jcf s ARG 237 N -3.42 0.56 -0.11 4.56 3.52 0.18 -4.76 118.95 119.48 1jcf s ARG 237 Ca 0.79 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 57.11 1jcf s ARG 237 Cb -0.32 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 1jcf s ARG 237 CO 0.37 -0.08 -0.13 0.21 -0.81 0.00 0.00 175.30 174.86 1jcf s LYS 238 N 0.44 3.16 0.05 5.12 2.20 -1.26 -0.99 119.74 128.46 1jcf s LYS 238 Ca -0.01 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 54.90 1jcf s LYS 238 Cb -0.04 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 1jcf s LYS 238 CO -0.02 0.34 0.03 -0.48 -0.36 0.00 0.00 175.35 174.86 1jcf s LEU 239 N 0.03 2.18 -0.09 5.43 0.05 -0.22 -4.98 118.68 121.09 1jcf s LEU 239 Ca -0.04 -0.82 -0.09 0.00 0.05 0.00 0.00 54.13 53.23 1jcf s LEU 239 Cb -0.14 0.39 -0.04 0.00 -2.05 0.00 0.00 46.19 44.34 1jcf s LEU 239 CO 0.04 -0.57 0.21 -0.89 -0.55 0.00 0.00 176.35 174.59 1jcf s THR 240 N -3.44 5.39 0.02 5.48 2.01 -1.26 -0.95 115.64 122.88 1jcf s THR 240 Ca 0.02 0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.47 1jcf s THR 240 Cb 0.04 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1jcf s THR 240 CO -0.08 0.61 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.46 1jcf s LEU 241 N -1.05 2.12 0.26 4.42 1.43 0.12 -4.98 118.68 121.00 1jcf s LEU 241 Ca 0.17 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1jcf s LEU 241 Cb -0.13 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1jcf s LEU 241 CO 0.07 0.23 -0.04 -0.54 0.23 0.00 0.00 176.35 176.29 1jcf s LYS 242 N -0.94 2.18 0.31 1.70 1.02 -1.26 -1.75 119.74 121.00 1jcf s LYS 242 Ca 0.09 -1.45 0.08 0.00 0.02 0.00 0.00 55.97 54.70 1jcf s LYS 242 Cb -0.09 -2.10 0.83 0.00 -0.52 0.00 0.00 37.83 35.95 1jcf s LYS 242 CO 0.01 0.37 1.72 0.78 -0.92 0.00 0.00 175.35 177.31 1jcf h GLY 243 N 2.04 1.80 0.48 -3.33 0.00 -0.58 -1.94 103.07 101.54 1jcf h GLY 243 Ca -0.44 -0.27 0.09 0.00 0.00 0.00 0.00 47.33 46.72 1jcf h GLY 243 CO 0.60 -0.24 0.39 -1.33 0.00 0.00 0.00 176.54 175.95 1jcf h GLY 244 N 0.54 1.13 1.08 4.60 0.00 -1.72 -0.35 103.07 108.35 1jcf h GLY 244 Ca 0.62 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.59 1jcf h GLY 244 CO -0.49 0.07 -0.12 0.83 0.00 0.00 0.00 176.54 176.84 1jcf h GLU 245 N 0.65 0.99 -0.36 4.80 5.08 -1.73 -2.18 114.58 121.84 1jcf h GLU 245 Ca 0.37 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1jcf h GLU 245 Cb 0.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1jcf h GLU 245 CO -0.27 1.05 -0.29 0.28 -1.00 0.00 0.00 179.01 178.79 1jcf h VAL 246 N 0.86 1.28 -0.59 3.13 2.07 -1.31 0.18 116.25 121.86 1jcf h VAL 246 Ca 0.13 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1jcf h VAL 246 Cb 0.68 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1jcf h VAL 246 CO 0.05 0.47 0.31 -0.09 0.02 0.00 0.00 177.57 178.33 1jcf h ARG 247 N 0.65 0.84 -0.60 1.57 2.43 -0.97 -1.11 114.38 117.20 1jcf h ARG 247 Ca 0.08 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1jcf h ARG 247 Cb 0.81 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1jcf h ARG 247 CO 0.07 0.66 0.09 1.49 -1.51 0.00 0.00 179.97 180.77 1jcf h GLU 248 N 0.81 0.99 -0.06 0.20 4.57 -1.14 -2.24 114.58 117.71 1jcf h GLU 248 Ca 0.21 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1jcf h GLU 248 Cb 0.08 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1jcf h GLU 248 CO -0.03 0.94 -0.02 0.00 -1.18 0.00 0.00 179.01 178.72 1jcf h ALA 249 N 1.01 1.85 -0.02 2.92 0.00 -0.43 -2.15 119.26 122.44 1jcf h ALA 249 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jcf h ALA 249 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jcf h ALA 249 CO 0.01 0.12 -0.07 1.28 0.00 0.00 0.00 179.25 180.59 1jcf n LEU 250 N -4.46 1.58 -0.18 0.00 4.77 -0.47 -4.56 117.00 113.68 1jcf n LEU 250 Ca -0.02 -0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 55.39 1jcf n LEU 250 Cb 0.14 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1jcf n LEU 250 CO 0.35 0.27 0.63 -0.09 -1.33 0.00 0.00 177.39 177.22 1jcf h ARG 251 N 2.36 -0.18 -0.73 3.23 2.43 -0.81 -1.44 114.38 119.24 1jcf h ARG 251 Ca 0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1jcf h ARG 251 Cb 0.56 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1jcf h ARG 251 CO 0.00 -0.12 0.47 0.77 -1.51 0.00 0.00 179.97 179.58 1jcf h SER 252 N -0.19 0.80 -0.34 -3.80 0.02 -1.81 -0.45 113.55 107.78 1jcf h SER 252 Ca 0.21 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1jcf h SER 252 Cb 0.55 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jcf h SER 252 CO -0.64 0.57 0.09 0.58 -1.14 0.00 0.00 176.83 176.30 1jcf h VAL 253 N 0.95 1.21 -0.44 2.27 2.07 -1.76 -2.39 116.25 118.16 1jcf h VAL 253 Ca 0.28 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1jcf h VAL 253 Cb -0.05 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1jcf h VAL 253 CO -0.08 0.24 0.26 0.58 0.02 0.00 0.00 177.57 178.59 1jcf h VAL 254 N 0.39 1.14 -0.69 2.57 2.07 -1.01 -1.33 116.25 119.39 1jcf h VAL 254 Ca 0.11 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1jcf h VAL 254 Cb 0.27 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1jcf h VAL 254 CO -0.00 0.15 0.35 0.58 0.02 0.00 0.00 177.57 178.66 1jcf h VAL 255 N 0.58 0.86 -0.46 2.57 2.07 -0.97 0.17 116.25 121.07 1jcf h VAL 255 Ca 0.16 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1jcf h VAL 255 Cb 0.01 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1jcf h VAL 255 CO -0.03 0.11 -0.03 0.00 0.02 0.00 0.00 177.57 177.64 1jcf h ALA 256 N 1.41 1.09 -0.11 1.67 0.00 -0.96 -0.81 119.26 121.56 1jcf h ALA 256 Ca 0.34 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1jcf h ALA 256 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jcf h ALA 256 CO -0.26 0.57 -0.13 0.82 0.00 0.00 0.00 179.25 180.25 1jcf h ILE 257 N 0.72 1.37 -0.78 0.00 2.04 -0.19 -2.30 117.51 118.37 1jcf h ILE 257 Ca 0.14 -1.33 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1jcf h ILE 257 Cb 0.48 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 1jcf h ILE 257 CO 0.02 0.38 0.47 0.58 0.00 0.00 0.00 178.15 179.61 1jcf h VAL 258 N -0.14 1.03 -0.68 1.67 2.07 -0.58 -1.95 116.25 117.67 1jcf h VAL 258 Ca 0.01 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1jcf h VAL 258 Cb 0.68 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1jcf h VAL 258 CO 0.03 0.16 0.28 -0.08 0.02 0.00 0.00 177.57 177.99 1jcf h GLU 259 N 0.88 1.00 -0.20 1.57 4.57 -1.10 -0.97 114.58 120.33 1jcf h GLU 259 Ca 0.34 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1jcf h GLU 259 Cb 0.14 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1jcf h GLU 259 CO -0.16 0.81 -0.31 0.66 -1.18 0.00 0.00 179.01 178.82 1jcf h SER 260 N 0.98 0.40 -0.08 1.04 4.64 -0.78 0.83 113.55 120.58 1jcf h SER 260 Ca 0.23 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1jcf h SER 260 Cb 0.17 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1jcf h SER 260 CO -0.02 0.70 -0.26 0.58 -0.87 0.00 0.00 176.83 176.95 1jcf h VAL 261 N 0.34 1.41 -0.59 0.95 2.07 -1.08 -2.34 116.25 117.01 1jcf h VAL 261 Ca 0.04 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1jcf h VAL 261 Cb 0.72 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1jcf h VAL 261 CO 0.05 0.47 0.38 -0.09 0.02 0.00 0.00 177.57 178.40 1jcf h ARG 262 N -0.14 0.78 -0.63 1.57 1.12 -1.05 -1.83 114.38 114.20 1jcf h ARG 262 Ca -0.01 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.76 1jcf h ARG 262 Cb 0.89 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 30.65 1jcf h ARG 262 CO 0.06 0.53 0.20 1.15 -3.11 0.00 0.00 179.97 178.79 1jcf h THR 263 N 0.79 1.24 -0.17 0.20 2.02 -0.87 -2.31 112.91 113.81 1jcf h THR 263 Ca 0.21 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1jcf h THR 263 Cb -0.08 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1jcf h THR 263 CO -0.04 0.31 -0.04 0.74 0.37 0.00 0.00 175.52 176.86 1jcf h THR 264 N 0.92 1.28 -0.66 3.16 2.02 -1.06 -3.03 112.91 115.54 1jcf h THR 264 Ca 0.21 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.45 1jcf h THR 264 Cb 0.26 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 1jcf h THR 264 CO -0.01 0.30 0.37 -0.07 0.37 0.00 0.00 175.52 176.48 1jcf h LEU 265 N 0.04 0.56 -1.27 2.58 3.38 -1.22 -2.08 115.31 117.31 1jcf h LEU 265 Ca 0.04 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1jcf h LEU 265 Cb 0.47 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1jcf h LEU 265 CO 0.02 0.37 0.53 -0.08 0.09 0.00 0.00 178.44 179.36 1jcf h GLU 266 N 0.70 0.86 -0.28 1.13 4.81 -1.37 -2.08 114.58 118.35 1jcf h GLU 266 Ca 0.29 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1jcf h GLU 266 Cb 0.16 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1jcf h GLU 266 CO -0.17 0.57 0.00 0.36 -0.73 0.00 0.00 179.01 179.04 1jcf n LYS 267 N -4.48 2.17 -2.76 1.92 2.85 -0.96 -4.94 118.16 111.97 1jcf n LYS 267 Ca 0.12 -1.76 -0.41 0.00 -1.05 0.00 0.00 58.31 55.21 1jcf n LYS 267 Cb 0.21 -1.46 -0.05 0.00 -0.65 0.00 0.00 35.03 33.08 1jcf n LYS 267 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jcf s THR 268 N -1.64 4.41 0.23 0.58 2.01 -0.78 -4.99 115.64 115.46 1jcf s THR 268 Ca 0.35 2.04 -0.31 0.00 0.31 0.00 0.00 61.69 64.09 1jcf s THR 268 Cb 0.20 -4.31 -0.14 0.00 0.01 0.00 0.00 72.50 68.26 1jcf s THR 268 CO 0.29 0.37 1.22 -2.65 -0.69 0.00 0.00 174.62 173.16 1jcf n PRO 269 N 2.46 1.57 -0.31 4.92 -0.02 -1.26 -4.69 135.00 137.67 1jcf n PRO 269 Ca 0.01 0.56 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 1jcf n PRO 269 Cb 0.49 -2.09 0.32 0.00 -0.02 0.00 0.00 33.50 32.19 1jcf n PRO 269 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jcf h PRO 270 N 3.30 0.44 -0.54 0.52 0.13 -1.95 -0.91 132.00 132.99 1jcf h PRO 270 Ca -0.43 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1jcf h PRO 270 Cb 1.31 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1jcf h PRO 270 CO 0.69 0.29 0.11 0.93 -0.23 0.00 0.00 178.00 179.79 1jcf h GLU 271 N 0.45 0.84 -0.25 0.86 4.39 -1.99 0.09 114.58 118.97 1jcf h GLU 271 Ca 0.57 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.93 1jcf h GLU 271 Cb 1.06 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1jcf h GLU 271 CO -0.51 0.77 -0.49 -0.07 -1.16 0.00 0.00 179.01 177.55 1jcf h LEU 272 N 0.80 0.74 -1.16 1.33 3.38 -1.58 -2.26 115.31 116.56 1jcf h LEU 272 Ca 0.17 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1jcf h LEU 272 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1jcf h LEU 272 CO 0.00 1.10 0.06 0.58 0.09 0.00 0.00 178.44 180.27 1jcf h VAL 273 N 0.54 1.20 -0.67 1.22 2.07 -0.67 0.03 116.25 119.96 1jcf h VAL 273 Ca 0.03 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1jcf h VAL 273 Cb 1.04 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1jcf h VAL 273 CO 0.10 0.28 0.14 -1.28 0.02 0.00 0.00 177.57 176.83 1jcf h SER 274 N 0.62 1.03 -0.45 0.57 0.87 -0.69 -1.26 113.55 114.23 1jcf h SER 274 Ca 0.14 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1jcf h SER 274 Cb 0.30 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1jcf h SER 274 CO 0.00 1.00 -0.12 0.44 -0.53 0.00 0.00 176.83 177.63 1jcf h ASP 275 N 1.03 0.89 -0.84 6.23 3.45 -0.77 -2.96 116.42 123.45 1jcf h ASP 275 Ca 0.21 -0.36 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 1jcf h ASP 275 Cb 0.39 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.88 1jcf h ASP 275 CO 0.01 1.05 0.43 0.40 -1.57 0.00 0.00 179.24 179.55 1jcf h ILE 276 N 0.72 1.25 -0.80 0.35 2.04 -0.66 0.43 117.51 120.84 1jcf h ILE 276 Ca 0.11 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1jcf h ILE 276 Cb 0.66 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1jcf h ILE 276 CO 0.05 0.29 0.53 0.40 0.00 0.00 0.00 178.15 179.42 1jcf h ILE 277 N 1.18 1.19 0.14 -0.67 2.04 -1.17 1.25 117.51 121.47 1jcf h ILE 277 Ca 0.29 -0.36 -0.30 0.00 1.00 0.00 0.00 64.86 65.49 1jcf h ILE 277 Cb 0.08 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1jcf h ILE 277 CO -0.04 0.19 -1.42 -0.33 0.00 0.00 0.00 178.15 176.55 1jcf h GLU 278 N 1.06 0.31 0.16 2.37 4.39 -1.19 -3.37 114.58 118.30 1jcf h GLU 278 Ca 0.30 -0.52 -0.33 0.00 0.34 0.00 0.00 59.36 59.15 1jcf h GLU 278 Cb -0.08 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1jcf h GLU 278 CO -0.07 1.21 -1.60 -0.09 -1.16 0.00 0.00 179.01 177.30 1jcf h ARG 279 N 0.08 0.33 0.00 2.33 2.43 0.14 -3.51 114.38 116.19 1jcf h ARG 279 Ca -0.21 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 1jcf h ARG 279 Cb 2.02 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.79 1jcf h ARG 279 CO 0.20 1.23 0.00 0.41 -1.51 0.00 0.00 179.97 180.29 1jcf n GLY 280 N 1.74 0.47 3.84 2.80 0.00 0.43 -4.97 105.19 109.49 1jcf n GLY 280 Ca -0.19 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 1jcf n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcf s ILE 281 N -1.95 5.35 -0.32 -0.61 1.01 0.13 -4.52 121.20 120.29 1jcf s ILE 281 Ca 0.00 0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 1jcf s ILE 281 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1jcf s ILE 281 CO 0.00 0.56 0.36 0.12 0.00 0.00 0.00 174.94 175.99 1jcf s PHE 282 N -0.74 3.22 -0.24 3.97 5.36 -0.08 0.26 117.98 129.73 1jcf s PHE 282 Ca 0.17 0.13 -0.08 0.00 -0.96 0.00 0.00 56.93 56.19 1jcf s PHE 282 Cb -0.13 -2.63 -0.04 0.00 -0.34 0.00 0.00 43.02 39.88 1jcf s PHE 282 CO 0.06 -0.36 0.10 -1.17 -1.46 0.00 0.00 175.22 172.39 1jcf s LEU 283 N 2.04 3.65 0.32 6.12 2.96 0.12 -0.04 118.68 133.84 1jcf s LEU 283 Ca 0.13 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1jcf s LEU 283 Cb -0.16 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1jcf s LEU 283 CO 0.11 0.00 0.39 0.28 -1.32 0.00 0.00 176.35 175.81 1jcf s THR 284 N 1.42 0.00 0.00 3.68 -1.32 -0.26 -0.12 115.64 119.03 1jcf s THR 284 Ca 0.06 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1jcf s THR 284 Cb -0.15 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 1jcf s THR 284 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1jcf n GLY 285 N -0.54 2.25 0.30 6.08 0.00 -0.93 -1.74 105.19 110.61 1jcf n GLY 285 Ca 0.03 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.31 1jcf n GLY 285 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jcf h GLY 286 N 0.00 0.53 1.56 -0.02 0.00 -1.58 -2.29 103.07 101.28 1jcf h GLY 286 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1jcf h GLY 286 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.37 1jcf n GLY 287 N -1.33 -1.22 0.31 4.60 0.00 0.28 -3.41 105.19 104.43 1jcf n GLY 287 Ca 0.02 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1jcf n GLY 287 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jcf n SER 288 N -1.28 1.08 0.00 1.61 3.41 -0.86 -4.25 113.62 113.33 1jcf n SER 288 Ca 0.14 -1.13 0.09 0.00 -0.26 0.00 0.00 58.87 57.71 1jcf n SER 288 Cb 0.22 0.03 0.55 0.00 -0.26 0.00 0.00 64.21 64.76 1jcf n SER 288 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jcf n LEU 289 N -0.35 0.00 -4.69 1.04 4.77 -1.22 -4.81 117.00 111.75 1jcf n LEU 289 Ca 0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1jcf n LEU 289 Cb 0.32 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1jcf n LEU 289 CO 0.21 0.00 1.10 0.18 -1.33 0.00 0.00 177.39 177.54 1jcf n LEU 290 N -0.95 3.36 -4.70 2.23 4.77 -1.26 -4.86 117.00 115.59 1jcf n LEU 290 Ca 0.14 1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 56.82 1jcf n LEU 290 Cb 0.06 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 1jcf n LEU 290 CO 0.10 -0.32 1.34 0.54 -1.33 0.00 0.00 177.39 177.73 1jcf n ARG 291 N 2.34 2.59 -1.07 3.23 1.74 -0.98 -2.19 116.66 122.32 1jcf n ARG 291 Ca 0.12 0.93 -0.02 0.00 -0.77 0.00 0.00 57.85 58.11 1jcf n ARG 291 Cb 0.32 -2.77 -0.01 0.00 -1.02 0.00 0.00 32.46 28.98 1jcf n ARG 291 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jcf n GLY 292 N 3.87 0.54 0.27 -0.13 0.00 -1.26 -1.47 105.19 107.02 1jcf n GLY 292 Ca 0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1jcf n GLY 292 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jcf h LEU 293 N 0.00 0.92 -0.43 0.99 6.46 -1.75 0.10 115.31 121.60 1jcf h LEU 293 Ca -0.05 -0.35 -0.07 0.00 -0.12 0.00 0.00 57.88 57.29 1jcf h LEU 293 Cb 0.33 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1jcf h LEU 293 CO 0.07 1.11 0.00 -2.24 -0.62 0.00 0.00 178.44 176.76 1jcf h ASP 294 N 0.77 0.75 -0.41 1.25 -0.00 -1.88 -1.51 116.42 115.37 1jcf h ASP 294 Ca 0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 57.03 56.82 1jcf h ASP 294 Cb 0.80 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.91 1jcf h ASP 294 CO 0.07 0.87 0.27 0.74 -0.00 0.00 0.00 179.24 181.19 1jcf h THR 295 N 0.60 1.10 -0.15 1.15 2.02 -1.85 -0.84 112.91 114.94 1jcf h THR 295 Ca 0.12 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1jcf h THR 295 Cb 0.49 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1jcf h THR 295 CO 0.02 0.10 0.06 0.25 0.37 0.00 0.00 175.52 176.33 1jcf h LEU 296 N 0.56 0.21 -1.34 2.58 5.85 -0.67 -1.84 115.31 120.66 1jcf h LEU 296 Ca 0.15 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1jcf h LEU 296 Cb -0.06 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1jcf h LEU 296 CO -0.03 0.31 0.04 -0.07 -0.34 0.00 0.00 178.44 178.34 1jcf h LEU 297 N 0.10 0.44 -0.42 2.25 3.38 -1.11 0.05 115.31 120.00 1jcf h LEU 297 Ca 0.05 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1jcf h LEU 297 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1jcf h LEU 297 CO -0.00 0.48 -0.16 -0.61 0.09 0.00 0.00 178.44 178.24 1jcf h GLN 298 N 0.47 0.85 -0.44 1.13 4.15 -0.98 -0.75 115.11 119.53 1jcf h GLN 298 Ca 0.11 -0.35 -0.10 0.00 0.77 0.00 0.00 58.65 59.08 1jcf h GLN 298 Cb 0.25 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1jcf h GLN 298 CO 0.00 0.99 -0.11 -0.22 -1.93 0.00 0.00 178.83 177.56 1jcf h LYS 299 N 0.67 0.85 0.00 1.69 3.64 -0.84 0.37 116.57 122.95 1jcf h LYS 299 Ca 0.10 -0.33 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1jcf h LYS 299 Cb 0.71 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1jcf h LYS 299 CO 0.05 0.96 -0.54 0.93 -2.27 0.00 0.00 179.45 178.59 1jcf h GLU 300 N 0.69 0.00 0.00 1.90 4.39 -0.92 -3.30 114.58 117.33 1jcf h GLU 300 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1jcf h GLU 300 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1jcf h GLU 300 CO 0.04 0.54 -1.86 0.25 -1.16 0.00 0.00 179.01 176.82 1jcf n THR 301 N -3.83 0.01 -0.99 1.13 -2.24 -0.30 -4.97 114.28 103.10 1jcf n THR 301 Ca -0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1jcf n THR 301 Cb 0.56 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1jcf n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jcf n GLY 302 N 1.45 0.77 3.45 3.38 0.00 0.13 -5.01 105.19 109.35 1jcf n GLY 302 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1jcf n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcf s ILE 303 N -3.08 2.87 0.27 -0.61 1.01 -1.17 -5.02 121.20 115.48 1jcf s ILE 303 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.47 1jcf s ILE 303 Cb 0.00 -2.13 -0.13 0.00 0.01 0.00 0.00 42.46 40.22 1jcf s ILE 303 CO 0.00 0.54 1.48 -1.20 0.00 0.00 0.00 174.94 175.76 1jcf n SER 304 N 2.16 3.23 -4.22 3.58 7.64 -1.26 -4.17 113.62 120.58 1jcf n SER 304 Ca -0.17 1.15 -0.33 0.00 1.01 0.00 0.00 58.87 60.53 1jcf n SER 304 Cb 0.52 -1.50 -0.16 0.00 -1.01 0.00 0.00 64.21 62.06 1jcf n SER 304 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jcf s VAL 305 N -0.09 2.43 -0.13 0.44 1.01 -1.26 0.19 120.40 122.99 1jcf s VAL 305 Ca 0.66 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1jcf s VAL 305 Cb -0.58 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1jcf s VAL 305 CO 0.50 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 175.41 1jcf s ILE 306 N 0.90 3.51 0.24 2.22 1.01 0.14 -4.92 121.20 124.29 1jcf s ILE 306 Ca -0.04 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 1jcf s ILE 306 Cb -0.15 -2.50 -0.08 0.00 0.01 0.00 0.00 42.46 39.74 1jcf s ILE 306 CO -0.02 0.52 0.75 -0.13 0.00 0.00 0.00 174.94 176.05 1jcf s ARG 307 N 0.18 4.26 0.62 2.79 0.52 -1.26 0.12 118.95 126.18 1jcf s ARG 307 Ca -0.05 0.90 -0.19 0.00 -0.52 0.00 0.00 55.73 55.87 1jcf s ARG 307 Cb -0.14 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1jcf s ARG 307 CO 0.04 0.36 1.27 0.45 0.02 0.00 0.00 175.30 177.44 1jcf s SER 308 N -1.70 4.90 0.16 0.23 0.15 0.82 -4.85 113.70 113.41 1jcf s SER 308 Ca 0.45 2.55 -0.00 0.00 0.70 0.00 0.00 55.95 59.64 1jcf s SER 308 Cb -0.16 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.52 1jcf s SER 308 CO 0.21 -1.80 1.37 -0.08 1.20 0.00 0.00 173.24 174.13 1jcf h GLU 309 N 0.78 0.30 -2.30 5.44 4.57 -1.96 -3.36 114.58 118.05 1jcf h GLU 309 Ca -0.51 -0.31 -0.58 0.00 -1.18 0.00 0.00 59.36 56.78 1jcf h GLU 309 Cb 1.32 0.08 -0.40 0.00 -0.16 0.00 0.00 28.75 29.60 1jcf h GLU 309 CO 0.54 1.00 -0.91 -0.85 -1.18 0.00 0.00 179.01 177.62 1jcf n GLU 310 N -3.72 0.99 0.29 1.92 0.28 -1.26 -4.98 120.64 114.16 1jcf n GLU 310 Ca -0.05 -3.62 0.14 0.00 -0.16 0.00 0.00 57.16 53.48 1jcf n GLU 310 Cb 0.79 -1.68 0.88 0.00 1.43 0.00 0.00 31.44 32.87 1jcf n GLU 310 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1jcf h PRO 311 N 4.75 0.00 0.04 3.44 0.13 -1.91 -2.54 132.00 135.92 1jcf h PRO 311 Ca 0.17 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.01 1jcf h PRO 311 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 1jcf h PRO 311 CO 0.53 0.02 -1.56 -0.07 -0.23 0.00 0.00 178.00 176.68 1jcf h LEU 312 N 0.00 0.15 -0.57 1.56 3.38 -1.94 -2.47 115.31 115.42 1jcf h LEU 312 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jcf h LEU 312 Cb 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jcf h LEU 312 CO 0.00 1.21 -0.65 0.35 0.09 0.00 0.00 178.44 179.44 1jcf n THR 313 N -3.25 0.00 -0.13 0.22 -2.24 -1.17 -4.66 114.28 103.05 1jcf n THR 313 Ca -0.15 -0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1jcf n THR 313 Cb 1.03 1.14 0.02 0.00 -2.10 0.00 0.00 70.33 70.42 1jcf n THR 313 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jcf h ALA 314 N 3.29 0.24 -0.29 6.98 0.00 -1.65 -1.37 119.26 126.45 1jcf h ALA 314 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jcf h ALA 314 Cb 0.61 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1jcf h ALA 314 CO 0.00 -0.48 0.19 0.28 0.00 0.00 0.00 179.25 179.25 1jcf h VAL 315 N -0.03 1.08 -0.59 0.00 2.07 -1.83 -0.55 116.25 116.40 1jcf h VAL 315 Ca 0.20 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 1jcf h VAL 315 Cb 0.34 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1jcf h VAL 315 CO -0.45 0.07 0.06 0.00 0.02 0.00 0.00 177.57 177.27 1jcf h ALA 316 N 1.11 0.78 -0.07 1.67 0.00 -1.81 -0.85 119.26 120.09 1jcf h ALA 316 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jcf h ALA 316 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jcf h ALA 316 CO -0.02 0.57 0.05 0.87 0.00 0.00 0.00 179.25 180.71 1jcf h LYS 317 N 0.89 0.09 -0.80 0.00 1.57 -1.06 -1.87 116.57 115.40 1jcf h LYS 317 Ca 0.17 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1jcf h LYS 317 Cb 0.47 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1jcf h LYS 317 CO 0.02 0.06 0.44 0.78 -0.57 0.00 0.00 179.45 180.19 1jcf h GLY 318 N 0.09 1.19 1.03 3.86 0.00 -0.93 0.47 103.07 108.78 1jcf h GLY 318 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1jcf h GLY 318 CO -0.01 0.51 0.63 0.00 0.00 0.00 0.00 176.54 177.67 1jcf h ALA 319 N 1.23 1.27 -0.03 3.60 0.00 -0.95 -0.09 119.26 124.29 1jcf h ALA 319 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jcf h ALA 319 Cb 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1jcf h ALA 319 CO -0.05 0.66 -0.06 0.78 0.00 0.00 0.00 179.25 180.58 1jcf h GLY 320 N 1.33 0.11 1.01 0.00 0.00 -0.92 -3.30 103.07 101.31 1jcf h GLY 320 Ca 0.35 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.62 1jcf h GLY 320 CO -0.07 0.12 0.49 -0.33 0.00 0.00 0.00 176.54 176.74 1jcf h MET 321 N -0.43 0.75 0.00 4.80 2.86 -0.61 -2.06 114.93 120.24 1jcf h MET 321 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1jcf h MET 321 Cb 0.64 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1jcf h MET 321 CO 0.01 0.50 -0.00 -0.24 1.06 0.00 0.00 176.91 178.24 1jcf h VAL 322 N 0.77 0.18 0.00 -2.22 3.04 -1.09 -1.17 116.25 115.77 1jcf h VAL 322 Ca 0.32 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1jcf h VAL 322 Cb 0.27 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1jcf h VAL 322 CO -0.11 0.00 0.00 -0.07 -1.01 0.00 0.00 177.57 176.38 1jcf h LEU 323 N 0.00 0.00 -3.02 3.16 3.38 -1.51 -0.75 115.31 116.56 1jcf h LEU 323 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jcf h LEU 323 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1jcf h LEU 323 CO 0.00 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.86 1jcf n ASP 324 N -2.88 3.61 -3.61 -0.43 4.64 -0.44 -4.69 116.55 112.75 1jcf n ASP 324 Ca -0.01 -2.34 -0.27 0.00 -1.38 0.00 0.00 54.79 50.79 1jcf n ASP 324 Cb 0.16 -0.40 -0.10 0.00 -1.04 0.00 0.00 41.12 39.74 1jcf n ASP 324 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1jcf n LYS 325 N 0.47 1.75 -0.36 -0.67 5.02 -0.29 -4.99 118.16 119.09 1jcf n LYS 325 Ca 0.18 -4.26 0.08 0.00 -2.02 0.00 0.00 58.31 52.29 1jcf n LYS 325 Cb 0.65 -2.10 0.18 0.00 -0.02 0.00 0.00 35.03 33.75 1jcf n LYS 325 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1jcf h VAL 326 N 3.78 0.00 -0.50 -0.18 3.04 -1.84 0.38 116.25 120.94 1jcf h VAL 326 Ca 0.17 -0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.97 1jcf h VAL 326 Cb 0.75 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 30.01 1jcf h VAL 326 CO 0.69 0.00 0.35 0.78 -1.01 0.00 0.00 177.57 178.38 1jcf h ASN 327 N 0.00 0.18 0.08 3.17 4.21 -1.94 0.30 115.58 121.59 1jcf h ASN 327 Ca 0.51 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.72 1jcf h ASN 327 Cb 0.87 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.02 1jcf h ASN 327 CO -1.00 0.11 -1.69 0.40 -1.29 0.00 0.00 177.43 173.96 1jcf h ILE 328 N 0.20 0.76 -0.81 2.81 2.04 -1.33 -3.37 117.51 117.81 1jcf h ILE 328 Ca 0.24 -2.29 0.10 0.00 1.00 0.00 0.00 64.86 63.91 1jcf h ILE 328 Cb 0.66 2.42 -0.08 0.00 -0.74 0.00 0.00 36.82 39.09 1jcf h ILE 328 CO -0.04 0.67 0.45 0.25 0.00 0.00 0.00 178.15 179.48 1jcf h LEU 329 N -0.34 0.62 -1.24 1.44 5.85 -0.63 -1.73 115.31 119.28 1jcf h LEU 329 Ca -0.39 0.06 0.20 0.00 0.84 0.00 0.00 57.88 58.59 1jcf h LEU 329 Cb 1.76 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.64 1jcf h LEU 329 CO -0.02 0.35 0.62 0.11 -0.34 0.00 0.00 178.44 179.15 1jcf h LYS 330 N 0.74 0.57 -0.00 1.25 1.57 -0.59 -1.45 116.57 118.66 1jcf h LYS 330 Ca 0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1jcf h LYS 330 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1jcf h LYS 330 CO -0.26 0.38 -0.14 1.63 -0.57 0.00 0.00 179.45 180.48 1jcf n LYS 331 N -4.65 0.42 -2.89 3.15 5.02 -0.66 -4.91 118.16 113.65 1jcf n LYS 331 Ca 0.22 -0.13 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 1jcf n LYS 331 Cb 0.66 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 1jcf n LYS 331 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jcf s LEU 332 N -2.67 3.95 0.30 -0.35 1.43 -0.55 -5.03 118.68 115.77 1jcf s LEU 332 Ca 0.23 1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 54.60 1jcf s LEU 332 Cb 0.19 -4.40 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 1jcf s LEU 332 CO 0.52 -0.33 1.11 -1.58 0.23 0.00 0.00 176.35 176.30 1jcf s GLN 333 N -3.19 4.55 0.27 1.70 0.74 -1.26 -4.88 119.66 117.59 1jcf s GLN 333 Ca 0.59 1.81 -0.01 0.00 0.05 0.00 0.00 55.36 57.80 1jcf s GLN 333 Cb -0.09 -3.10 -0.02 0.00 1.10 0.00 0.00 33.01 30.89 1jcf s GLN 333 CO 0.16 0.13 0.30 0.20 -0.55 0.00 0.00 175.29 175.52 1jcf s GLY 334 N -0.93 1.52 0.06 2.59 0.00 -1.26 -1.31 107.32 107.99 1jcf s GLY 334 Ca 0.46 -1.62 -0.23 0.00 0.00 0.00 0.00 44.72 43.34 1jcf s GLY 334 CO 0.41 -1.21 0.53 0.00 0.00 0.00 0.00 173.10 172.83 1jcf s ALA 335 N -3.73 -1.37 0.00 3.20 0.00 -0.03 -4.99 121.76 114.85 1jcf s ALA 335 Ca 0.35 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1jcf s ALA 335 Cb 0.03 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1jcf s ALA 335 CO 0.17 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.81