#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cmr s PRO 5 N 0.00 3.87 -0.02 0.03 0.04 -1.26 -4.97 135.00 132.69 3cmr s PRO 5 Ca 0.00 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 3cmr s PRO 5 Cb 0.00 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3cmr s PRO 5 CO 0.00 -0.35 0.08 0.14 0.04 0.00 0.00 177.00 176.91 3cmr s VAL 6 N -2.25 4.74 -0.28 -0.36 -7.23 -1.26 -4.82 120.40 108.93 3cmr s VAL 6 Ca 0.63 -0.36 -0.31 0.00 -1.81 0.00 0.00 61.98 60.13 3cmr s VAL 6 Cb -0.13 -3.14 -0.08 0.00 0.56 0.00 0.00 36.38 33.59 3cmr s VAL 6 CO 0.23 0.39 2.21 0.18 -0.31 0.00 0.00 175.10 177.81 3cmr n LEU 7 N 1.32 2.75 0.08 1.32 4.32 -0.70 -4.85 117.00 121.24 3cmr n LEU 7 Ca -0.14 0.28 -0.13 0.00 -0.02 0.00 0.00 56.01 56.00 3cmr n LEU 7 Cb 0.53 -1.43 -0.06 0.00 -1.62 0.00 0.00 43.42 40.84 3cmr n LEU 7 CO 0.37 -0.72 0.15 -0.33 -1.22 0.00 0.00 177.39 175.64 3cmr h GLU 8 N 13.97 0.34 -0.60 3.23 4.39 -1.97 -3.43 114.58 130.51 3cmr h GLU 8 Ca -0.35 -0.40 0.05 0.00 0.34 0.00 0.00 59.36 59.00 3cmr h GLU 8 Cb 1.28 0.12 -0.18 0.00 -0.10 0.00 0.00 28.75 29.86 3cmr h GLU 8 CO 0.99 1.10 -0.27 1.21 -1.16 0.00 0.00 179.01 180.88 3cmr s ASN 9 N -7.06 -0.94 -0.56 1.42 2.47 -1.26 -5.01 114.94 104.00 3cmr s ASN 9 Ca -0.05 -0.40 0.01 0.00 0.42 0.00 0.00 52.86 52.84 3cmr s ASN 9 Cb 0.09 1.25 0.52 0.00 -1.45 0.00 0.00 41.25 41.65 3cmr s ASN 9 CO 0.86 -0.11 1.92 0.54 -3.72 0.00 0.00 177.10 176.59 3cmr n ARG 10 N 4.21 2.58 -1.60 0.43 1.74 -1.26 -4.93 116.66 117.82 3cmr n ARG 10 Ca 0.08 -3.26 -0.31 0.00 -0.77 0.00 0.00 57.85 53.59 3cmr n ARG 10 Cb 0.60 -2.23 0.06 0.00 -1.02 0.00 0.00 32.46 29.86 3cmr n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cmr s ALA 11 N -3.63 2.62 0.20 7.54 0.00 -1.26 -4.73 121.76 122.50 3cmr s ALA 11 Ca 0.61 -0.02 -0.32 0.00 0.00 0.00 0.00 51.96 52.23 3cmr s ALA 11 Cb 0.49 -3.14 -0.15 0.00 0.00 0.00 0.00 23.12 20.32 3cmr s ALA 11 CO 0.03 -1.30 1.21 0.00 0.00 0.00 0.00 175.76 175.70 3cmr n ALA 12 N -3.17 -0.27 0.66 0.00 0.00 0.13 -4.29 120.51 113.58 3cmr n ALA 12 Ca 0.07 0.44 0.12 0.00 0.00 0.00 0.00 53.44 54.08 3cmr n ALA 12 Cb 0.54 -2.09 0.18 0.00 0.00 0.00 0.00 19.45 18.08 3cmr n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cmr n GLN 13 N 1.73 0.23 0.00 0.00 1.13 0.57 -4.95 117.38 116.09 3cmr n GLN 13 Ca 0.14 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 3cmr n GLN 13 Cb 0.27 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.98 3cmr n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cmr n GLY 14 N 1.37 4.53 3.57 1.08 0.00 0.11 -5.03 105.19 110.82 3cmr n GLY 14 Ca 0.04 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3cmr n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cmr s ASP 15 N 1.59 6.32 0.11 1.61 -1.08 -1.25 -4.74 116.67 119.24 3cmr s ASP 15 Ca 0.00 -0.15 0.07 0.00 -0.52 0.00 0.00 52.55 51.95 3cmr s ASP 15 Cb 0.00 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.27 3cmr s ASP 15 CO 0.00 -1.63 1.17 2.30 0.52 0.00 0.00 175.17 177.53 3cmr n ILE 16 N 6.53 1.52 0.56 4.11 -5.35 -1.25 -0.81 119.36 124.66 3cmr n ILE 16 Ca 0.06 0.58 0.12 0.00 -0.27 0.00 0.00 62.75 63.24 3cmr n ILE 16 Cb 0.49 -1.58 0.20 0.00 -1.74 0.00 0.00 39.64 37.01 3cmr n ILE 16 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3cmr h THR 17 N 0.00 0.00 -2.28 7.28 1.35 -1.91 -3.41 112.91 113.94 3cmr h THR 17 Ca 0.00 -0.51 -0.49 0.00 -0.55 0.00 0.00 66.41 64.86 3cmr h THR 17 Cb 0.11 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 3cmr h THR 17 CO 0.00 0.00 -0.48 0.00 -0.25 0.00 0.00 175.52 174.79 3cmr s ALA 18 N -3.16 3.80 0.13 6.62 0.00 0.00 -5.03 121.76 124.12 3cmr s ALA 18 Ca 0.07 -1.26 -0.34 0.00 0.00 0.00 0.00 51.96 50.42 3cmr s ALA 18 Cb 0.13 -1.57 -0.14 0.00 0.00 0.00 0.00 23.12 21.54 3cmr s ALA 18 CO 0.70 0.30 1.59 -2.30 0.00 0.00 0.00 175.76 176.06 3cmr n PRO 19 N -1.15 2.09 -0.04 0.00 -0.02 -1.26 -1.89 135.00 132.72 3cmr n PRO 19 Ca -0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3cmr n PRO 19 Cb 0.57 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3cmr n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cmr n GLY 20 N 3.45 2.84 0.25 -1.23 0.00 -1.26 -4.86 105.19 104.38 3cmr n GLY 20 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 3cmr n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cmr h GLY 21 N 0.00 0.00 -1.98 -0.02 0.00 -1.47 -2.57 103.07 97.03 3cmr h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cmr h GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3cmr n ALA 22 N -2.13 2.42 -1.82 3.60 0.00 -1.26 0.06 120.51 121.37 3cmr n ALA 22 Ca 0.01 -0.94 -0.41 0.00 0.00 0.00 0.00 53.44 52.10 3cmr n ALA 22 Cb 0.38 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 3cmr n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cmr s ARG 23 N -1.35 4.32 0.08 0.00 0.52 -0.97 -4.67 118.95 116.89 3cmr s ARG 23 Ca 0.37 2.24 0.22 0.00 -0.52 0.00 0.00 55.73 58.04 3cmr s ARG 23 Cb 0.20 -3.09 -0.17 0.00 0.52 0.00 0.00 34.95 32.41 3cmr s ARG 23 CO 0.27 -0.27 0.75 0.54 0.02 0.00 0.00 175.30 176.60 3cmr n ARG 24 N 1.37 0.63 -3.84 3.54 1.74 -1.26 -0.32 116.66 118.52 3cmr n ARG 24 Ca 0.02 -0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3cmr n ARG 24 Cb 0.41 -1.68 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 3cmr n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cmr s LEU 25 N -5.00 4.36 0.00 0.55 1.43 -1.26 -4.49 118.68 114.27 3cmr s LEU 25 Ca -0.04 0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.57 3cmr s LEU 25 Cb 0.11 -2.74 0.04 0.00 0.03 0.00 0.00 46.19 43.63 3cmr s LEU 25 CO 0.85 0.23 0.70 0.35 0.23 0.00 0.00 176.35 178.70 3cmr n THR 26 N 0.83 0.00 -1.83 5.49 -2.24 -1.26 -5.00 114.28 110.27 3cmr n THR 26 Ca -0.09 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3cmr n THR 26 Cb 0.52 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 3cmr n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cmr n GLY 27 N 0.70 -1.48 3.74 3.38 0.00 -1.26 -5.14 105.19 105.13 3cmr n GLY 27 Ca 0.05 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3cmr n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cmr s ASP 28 N -2.20 6.56 0.00 1.61 2.15 -1.26 -4.95 116.67 118.57 3cmr s ASP 28 Ca 0.00 2.73 0.25 0.00 0.43 0.00 0.00 52.55 55.95 3cmr s ASP 28 Cb 0.00 -2.62 0.33 0.00 -0.30 0.00 0.00 42.92 40.33 3cmr s ASP 28 CO 0.00 -0.80 1.34 0.00 -0.17 0.00 0.00 175.17 175.54 3cmr n GLN 29 N 2.85 2.23 -0.08 4.34 1.13 -1.26 -4.56 117.38 122.03 3cmr n GLN 29 Ca 0.10 -1.79 -0.08 0.00 -1.94 0.00 0.00 57.00 53.28 3cmr n GLN 29 Cb 0.39 -1.46 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 3cmr n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3cmr h THR 30 N 4.34 1.01 0.09 5.09 2.02 -1.99 -1.36 112.91 122.11 3cmr h THR 30 Ca 0.00 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3cmr h THR 30 Cb 0.92 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3cmr h THR 30 CO 0.00 0.06 -0.25 0.00 0.37 0.00 0.00 175.52 175.70 3cmr h ALA 31 N 1.14 -0.40 -0.82 6.16 0.00 -2.00 -0.52 119.26 122.81 3cmr h ALA 31 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cmr h ALA 31 Cb 0.02 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3cmr h ALA 31 CO -0.07 -0.78 0.50 0.00 0.00 0.00 0.00 179.25 178.90 3cmr h ALA 32 N 0.33 1.05 -0.33 0.00 0.00 -1.80 -0.89 119.26 117.62 3cmr h ALA 32 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3cmr h ALA 32 Cb 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3cmr h ALA 32 CO -0.16 0.51 -0.05 1.25 0.00 0.00 0.00 179.25 180.80 3cmr h LEU 33 N 1.13 0.62 -0.40 0.00 5.85 -1.12 -1.15 115.31 120.23 3cmr h LEU 33 Ca 0.30 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.74 3cmr h LEU 33 Cb -0.04 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3cmr h LEU 33 CO -0.06 0.82 -0.02 0.03 -0.34 0.00 0.00 178.44 178.87 3cmr h ARG 34 N 0.41 0.08 0.00 1.25 3.08 -0.74 0.12 114.38 118.57 3cmr h ARG 34 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3cmr h ARG 34 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3cmr h ARG 34 CO 0.03 0.05 0.00 -0.25 -1.07 0.00 0.00 179.97 178.73 3cmr n ASP 35 N -5.22 0.62 -0.27 7.04 8.00 -0.37 -1.76 116.55 124.59 3cmr n ASP 35 Ca 0.03 0.73 0.14 0.00 0.71 0.00 0.00 54.79 56.40 3cmr n ASP 35 Cb 0.21 -0.83 0.54 0.00 -0.02 0.00 0.00 41.12 41.02 3cmr n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3cmr n SER 36 N -2.27 0.95 -4.39 -2.24 7.64 0.41 -4.49 113.62 109.24 3cmr n SER 36 Ca -0.00 -1.03 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 3cmr n SER 36 Cb 0.11 0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 3cmr n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3cmr s LEU 37 N -2.27 4.38 -0.00 -3.43 1.43 -0.72 -4.72 118.68 113.34 3cmr s LEU 37 Ca 0.32 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3cmr s LEU 37 Cb 0.20 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.44 3cmr s LEU 37 CO 0.43 -0.29 -0.00 -0.55 0.23 0.00 0.00 176.35 176.16 3cmr s SER 38 N 1.56 0.09 -0.19 2.29 0.15 -1.26 -5.03 113.70 111.31 3cmr s SER 38 Ca 0.03 -0.01 0.16 0.00 0.70 0.00 0.00 55.95 56.83 3cmr s SER 38 Cb -0.18 -0.02 0.54 0.00 -1.71 0.00 0.00 66.02 64.65 3cmr s SER 38 CO 0.06 -0.01 1.45 -0.90 1.20 0.00 0.00 173.24 175.04 3cmr n ASP 39 N 3.18 3.88 -4.78 5.45 5.68 -1.26 -1.25 116.55 127.44 3cmr n ASP 39 Ca -0.14 -3.07 -0.30 0.00 -0.50 0.00 0.00 54.79 50.78 3cmr n ASP 39 Cb 0.59 -0.56 0.10 0.00 -1.14 0.00 0.00 41.12 40.10 3cmr n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3cmr s LYS 40 N -2.86 2.01 0.38 0.11 -2.85 -1.26 -4.89 119.74 110.37 3cmr s LYS 40 Ca 0.43 0.77 -0.28 0.00 -1.00 0.00 0.00 55.97 55.90 3cmr s LYS 40 Cb 0.35 -1.90 -0.10 0.00 -2.06 0.00 0.00 37.83 34.12 3cmr s LYS 40 CO 0.09 -1.71 1.44 -2.14 0.10 0.00 0.00 175.35 173.13 3cmr s PRO 41 N -5.06 4.06 -0.19 1.78 0.02 -1.26 -4.48 135.00 129.86 3cmr s PRO 41 Ca 0.61 2.48 -0.29 0.00 0.02 0.00 0.00 61.00 63.82 3cmr s PRO 41 Cb -0.15 -2.92 -0.00 0.00 0.02 0.00 0.00 34.50 31.45 3cmr s PRO 41 CO 0.55 -0.54 1.15 0.00 -0.33 0.00 0.00 177.00 177.84 3cmr s ALA 42 N -1.14 3.67 0.13 -1.55 0.00 -0.46 -4.87 121.76 117.54 3cmr s ALA 42 Ca 0.54 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 3cmr s ALA 42 Cb -0.45 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 3cmr s ALA 42 CO 0.60 -1.10 1.50 -0.22 0.00 0.00 0.00 175.76 176.54 3cmr h LYS 43 N 7.82 0.84 -5.27 0.00 3.64 -0.67 -3.37 116.57 119.57 3cmr h LYS 43 Ca -0.23 -0.37 -0.38 0.00 -1.27 0.00 0.00 60.65 58.39 3cmr h LYS 43 Cb 1.08 -0.02 -0.18 0.00 -0.41 0.00 0.00 32.23 32.71 3cmr h LYS 43 CO 0.97 1.01 -0.75 -0.80 -2.27 0.00 0.00 179.45 177.62 3cmr s ASN 44 N -6.57 1.85 -0.03 4.20 0.01 -1.05 -3.28 114.94 110.07 3cmr s ASN 44 Ca -0.12 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.21 3cmr s ASN 44 Cb 0.11 -0.04 0.01 0.00 0.41 0.00 0.00 41.25 41.73 3cmr s ASN 44 CO 0.84 -0.20 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.56 3cmr s ILE 45 N -2.37 0.53 -0.23 0.60 1.01 -0.43 -1.47 121.20 118.84 3cmr s ILE 45 Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.59 3cmr s ILE 45 Cb -0.03 -0.52 0.05 0.00 0.01 0.00 0.00 42.46 41.96 3cmr s ILE 45 CO 0.02 0.20 -0.12 -0.63 0.00 0.00 0.00 174.94 174.41 3cmr s ILE 46 N 0.55 2.00 -0.30 2.92 1.01 -0.45 -0.86 121.20 126.08 3cmr s ILE 46 Ca -0.07 -1.38 -0.10 0.00 0.00 0.00 0.00 60.65 59.10 3cmr s ILE 46 Cb -0.11 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3cmr s ILE 46 CO 0.00 0.09 0.15 -0.22 0.00 0.00 0.00 174.94 174.97 3cmr s LEU 47 N 1.21 4.01 -0.21 2.97 2.96 0.15 -1.24 118.68 128.54 3cmr s LEU 47 Ca -0.05 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3cmr s LEU 47 Cb -0.18 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 3cmr s LEU 47 CO -0.07 -0.15 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.01 3cmr s LEU 48 N 1.65 2.94 -0.18 -0.68 1.02 0.11 -0.51 118.68 123.03 3cmr s LEU 48 Ca 0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 3cmr s LEU 48 Cb -0.17 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 3cmr s LEU 48 CO 0.07 0.02 -0.06 -0.63 0.02 0.00 0.00 176.35 175.77 3cmr s ILE 49 N 1.24 3.44 -0.41 -0.59 -1.09 -0.13 -2.04 121.20 121.62 3cmr s ILE 49 Ca 0.03 -0.49 -0.17 0.00 -2.23 0.00 0.00 60.65 57.79 3cmr s ILE 49 Cb -0.14 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.23 3cmr s ILE 49 CO -0.01 0.47 0.41 -0.83 -1.23 0.00 0.00 174.94 173.75 3cmr s GLY 50 N 0.90 1.91 -0.05 6.18 0.00 -0.27 -0.75 107.32 115.24 3cmr s GLY 50 Ca -0.01 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 42.91 3cmr s GLY 50 CO 0.01 1.12 1.64 -0.35 0.00 0.00 0.00 173.10 175.52 3cmr s ASP 51 N 1.79 6.68 -0.03 1.64 -1.08 -0.50 -1.63 116.67 123.52 3cmr s ASP 51 Ca 0.11 2.24 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 3cmr s ASP 51 Cb -0.17 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 3cmr s ASP 51 CO 0.13 -0.91 0.00 0.61 0.52 0.00 0.00 175.17 175.52 3cmr n GLY 52 N 4.10 0.46 3.16 2.66 0.00 -1.24 -0.21 105.19 114.12 3cmr n GLY 52 Ca 0.17 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3cmr n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3cmr n MET 53 N -2.59 3.44 -1.45 1.61 1.56 -0.65 -4.07 117.12 114.96 3cmr n MET 53 Ca -0.00 -3.58 -0.30 0.00 -0.27 0.00 0.00 57.70 53.55 3cmr n MET 53 Cb 0.06 -3.04 0.20 0.00 2.15 0.00 0.00 33.22 32.58 3cmr n MET 53 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 3cmr s GLY 54 N 2.08 1.64 0.40 -5.12 0.00 -1.26 -4.48 107.32 100.58 3cmr s GLY 54 Ca 0.42 -0.89 0.11 0.00 0.00 0.00 0.00 44.72 44.37 3cmr s GLY 54 CO 0.00 -0.13 1.95 -0.55 0.00 0.00 0.00 173.10 174.37 3cmr h ASP 55 N -2.01 0.49 -0.18 1.64 3.32 -1.93 -1.37 116.42 116.39 3cmr h ASP 55 Ca -0.47 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.62 3cmr h ASP 55 Cb 1.29 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3cmr h ASP 55 CO 0.43 0.29 0.05 -1.28 -1.72 0.00 0.00 179.24 177.01 3cmr h SER 56 N 0.54 0.04 -0.53 6.45 0.87 -1.91 -1.16 113.55 117.85 3cmr h SER 56 Ca 0.33 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3cmr h SER 56 Cb 0.54 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3cmr h SER 56 CO -0.11 0.05 0.33 -0.33 -0.53 0.00 0.00 176.83 176.24 3cmr h GLU 57 N 0.12 0.70 -0.02 2.24 3.07 -1.56 -0.91 114.58 118.23 3cmr h GLU 57 Ca 0.08 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.91 3cmr h GLU 57 Cb 0.06 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 3cmr h GLU 57 CO -0.09 0.49 -0.15 0.82 -1.40 0.00 0.00 179.01 178.68 3cmr h ILE 58 N 0.71 0.62 -0.36 3.13 2.04 -1.13 -1.92 117.51 120.61 3cmr h ILE 58 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 3cmr h ILE 58 Cb -0.04 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3cmr h ILE 58 CO -0.04 0.00 0.23 0.74 0.00 0.00 0.00 178.15 179.08 3cmr h THR 59 N -0.24 1.10 -0.36 -0.27 2.02 -1.04 0.80 112.91 114.93 3cmr h THR 59 Ca 0.06 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3cmr h THR 59 Cb 0.32 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3cmr h THR 59 CO -0.16 0.10 0.19 0.00 0.37 0.00 0.00 175.52 176.02 3cmr h ALA 60 N 1.12 0.46 -0.34 6.16 0.00 -1.04 0.19 119.26 125.79 3cmr h ALA 60 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3cmr h ALA 60 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3cmr h ALA 60 CO -0.03 -0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.38 3cmr h ALA 61 N 1.06 0.44 -0.22 0.00 0.00 -1.20 -1.39 119.26 117.94 3cmr h ALA 61 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3cmr h ALA 61 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3cmr h ALA 61 CO -0.02 -0.01 0.02 -0.09 0.00 0.00 0.00 179.25 179.15 3cmr h ARG 62 N 0.42 0.09 -0.67 0.00 2.43 -0.57 0.13 114.38 116.22 3cmr h ARG 62 Ca 0.12 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3cmr h ARG 62 Cb 0.10 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3cmr h ARG 62 CO -0.02 0.06 0.39 -0.91 -1.51 0.00 0.00 179.97 177.98 3cmr h ASN 63 N 0.09 0.59 0.10 -3.80 2.35 -0.36 0.52 115.58 115.07 3cmr h ASN 63 Ca 0.10 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3cmr h ASN 63 Cb 0.12 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3cmr h ASN 63 CO -0.15 0.39 -0.05 0.22 -1.65 0.00 0.00 177.43 176.18 3cmr h TYR 64 N 0.72 -0.13 0.21 1.19 5.03 -1.00 -2.49 116.97 120.50 3cmr h TYR 64 Ca 0.30 -0.00 -0.32 0.00 2.58 0.00 0.00 58.73 61.28 3cmr h TYR 64 Cb 0.15 0.04 0.02 0.00 1.55 0.00 0.00 36.73 38.50 3cmr h TYR 64 CO -0.07 0.38 -1.47 0.00 -1.32 0.00 0.00 178.16 175.68 3cmr h ALA 65 N -0.16 -0.03 0.00 1.82 0.00 -0.63 -1.13 119.26 119.13 3cmr h ALA 65 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3cmr h ALA 65 Cb 0.57 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3cmr h ALA 65 CO 0.02 0.84 -0.42 0.39 0.00 0.00 0.00 179.25 180.08 3cmr n GLU 66 N -3.64 4.37 0.00 0.00 -0.58 -0.03 -4.76 120.64 116.00 3cmr n GLU 66 Ca -0.16 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3cmr n GLU 66 Cb 1.08 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 31.14 3cmr n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cmr n GLY 67 N 1.32 -0.20 0.34 0.62 0.00 -0.03 -3.59 105.19 103.65 3cmr n GLY 67 Ca 0.01 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.41 3cmr n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cmr h ALA 68 N 0.00 1.29 -0.56 4.61 0.00 -1.78 -0.10 119.26 122.72 3cmr h ALA 68 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cmr h ALA 68 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3cmr h ALA 68 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3cmr n GLY 69 N -1.34 1.67 0.35 0.00 0.00 -1.26 -4.86 105.19 99.75 3cmr n GLY 69 Ca 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 3cmr n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cmr n GLY 70 N 1.42 -2.14 3.30 -0.02 0.00 -0.05 0.23 105.19 107.93 3cmr n GLY 70 Ca 0.19 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.65 3cmr n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cmr s PHE 71 N -1.22 -1.04 -0.38 1.61 5.36 -1.26 -4.54 117.98 116.52 3cmr s PHE 71 Ca 0.07 1.65 -0.29 0.00 -0.96 0.00 0.00 56.93 57.40 3cmr s PHE 71 Cb -0.01 0.42 -0.00 0.00 -0.34 0.00 0.00 43.02 43.09 3cmr s PHE 71 CO 0.05 -0.61 1.53 -0.06 -1.46 0.00 0.00 175.22 174.67 3cmr s PHE 72 N 2.70 2.22 0.41 10.12 0.08 -1.26 -4.90 117.98 127.35 3cmr s PHE 72 Ca 0.02 0.66 0.39 0.00 0.12 0.00 0.00 56.93 58.12 3cmr s PHE 72 Cb -0.13 -4.23 2.04 0.00 -0.57 0.00 0.00 43.02 40.13 3cmr s PHE 72 CO -0.16 -2.31 2.19 0.87 -0.10 0.00 0.00 175.22 175.71 3cmr h LYS 73 N 11.30 0.00 0.00 0.44 1.57 -1.95 -0.38 116.57 127.54 3cmr h LYS 73 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3cmr h LYS 73 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3cmr h LYS 73 CO 1.06 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.35 3cmr n GLY 74 N -0.88 -0.44 0.25 3.86 0.00 -1.26 -4.47 105.19 102.25 3cmr n GLY 74 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 3cmr n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cmr h ILE 75 N 0.00 0.35 -0.01 -0.61 2.04 -1.78 -2.12 117.51 115.37 3cmr h ILE 75 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3cmr h ILE 75 Cb 0.00 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3cmr h ILE 75 CO 0.00 0.00 -0.03 0.47 0.00 0.00 0.00 178.15 178.60 3cmr n ASP 76 N -5.42 1.00 -0.22 1.72 8.00 -0.16 -4.18 116.55 117.29 3cmr n ASP 76 Ca 0.09 -1.25 0.11 0.00 0.71 0.00 0.00 54.79 54.45 3cmr n ASP 76 Cb 0.36 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.56 3cmr n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cmr n ALA 77 N -0.27 3.78 -2.31 2.24 0.00 -0.80 -4.85 120.51 118.30 3cmr n ALA 77 Ca 0.19 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 3cmr n ALA 77 Cb 0.29 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3cmr n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cmr s LEU 78 N -2.71 4.30 0.26 0.00 1.02 -1.25 -1.72 118.68 118.57 3cmr s LEU 78 Ca 0.16 1.99 0.12 0.00 0.02 0.00 0.00 54.13 56.42 3cmr s LEU 78 Cb 0.18 -3.56 0.24 0.00 0.02 0.00 0.00 46.19 43.07 3cmr s LEU 78 CO 0.66 -0.68 1.53 1.55 0.02 0.00 0.00 176.35 179.43 3cmr h PRO 79 N 7.77 0.00 -5.03 1.29 0.13 -1.88 -3.44 132.00 130.84 3cmr h PRO 79 Ca -0.36 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.12 3cmr h PRO 79 Cb 1.17 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 3cmr h PRO 79 CO 0.90 0.65 -0.65 -0.51 -0.23 0.00 0.00 178.00 178.16 3cmr s LEU 80 N -7.07 3.33 0.04 1.56 1.43 -1.09 -5.01 118.68 111.87 3cmr s LEU 80 Ca 0.00 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3cmr s LEU 80 Cb 0.11 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3cmr s LEU 80 CO 0.76 0.01 -0.09 0.42 0.23 0.00 0.00 176.35 177.67 3cmr s THR 81 N 1.33 0.71 0.00 5.49 -4.23 -1.26 -0.76 115.64 116.92 3cmr s THR 81 Ca 0.05 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3cmr s THR 81 Cb -0.15 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 72.99 3cmr s THR 81 CO 0.02 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 3cmr n GLY 82 N 1.76 2.74 3.01 3.99 0.00 -0.04 -3.85 105.19 112.80 3cmr n GLY 82 Ca -0.20 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 3cmr n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cmr s GLN 83 N -1.80 1.44 0.21 1.61 1.11 -0.79 -1.77 119.66 119.66 3cmr s GLN 83 Ca 0.00 -0.36 0.09 0.00 0.01 0.00 0.00 55.36 55.10 3cmr s GLN 83 Cb 0.00 -1.24 -0.05 0.00 -1.01 0.00 0.00 33.01 30.72 3cmr s GLN 83 CO 0.00 0.04 -0.17 1.52 0.01 0.00 0.00 175.29 176.69 3cmr s TYR 84 N 0.59 1.86 -0.09 0.91 1.13 -0.35 -2.18 117.35 119.21 3cmr s TYR 84 Ca -0.12 -0.49 -0.04 0.00 -1.41 0.00 0.00 57.07 55.01 3cmr s TYR 84 Cb -0.14 -0.87 -0.04 0.00 -1.10 0.00 0.00 41.96 39.81 3cmr s TYR 84 CO 0.03 0.42 0.05 0.95 -2.51 0.00 0.00 175.55 174.49 3cmr s THR 85 N -2.59 4.76 -0.06 -3.49 -4.23 -0.61 -2.67 115.64 106.74 3cmr s THR 85 Ca 0.22 -0.09 0.13 0.00 -1.18 0.00 0.00 61.69 60.77 3cmr s THR 85 Cb -0.03 -3.04 0.26 0.00 1.34 0.00 0.00 72.50 71.03 3cmr s THR 85 CO 0.08 0.60 1.12 0.00 -0.54 0.00 0.00 174.62 175.88 3cmr n HIS 86 N 2.04 0.00 -1.73 3.99 1.44 -1.26 -0.93 115.22 118.77 3cmr n HIS 86 Ca -0.19 -0.61 -0.38 0.00 -2.01 0.00 0.00 57.72 54.53 3cmr n HIS 86 Cb 0.54 -0.13 0.05 0.00 0.12 0.00 0.00 29.99 30.57 3cmr n HIS 86 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 3cmr n TYR 87 N -0.35 2.10 -2.04 -1.40 4.11 -1.26 -4.41 117.16 113.91 3cmr n TYR 87 Ca 0.08 0.43 0.00 0.00 -0.00 0.00 0.00 57.90 58.41 3cmr n TYR 87 Cb 0.81 -2.32 0.00 0.00 -0.00 0.00 0.00 39.34 37.83 3cmr n TYR 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3cmr n ALA 88 N -1.32 0.00 -2.44 -3.48 0.00 -0.18 -4.92 120.51 108.16 3cmr n ALA 88 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.29 3cmr n ALA 88 Cb 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 3cmr n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cmr s LEU 89 N 0.00 2.20 -0.07 0.00 1.43 -0.44 -0.79 118.68 121.02 3cmr s LEU 89 Ca 0.00 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 3cmr s LEU 89 Cb 0.00 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 3cmr s LEU 89 CO 0.00 0.18 1.22 0.21 0.23 0.00 0.00 176.35 178.18 3cmr s ASN 90 N -1.40 7.03 0.36 2.29 3.84 0.45 -3.84 114.94 123.66 3cmr s ASN 90 Ca 0.09 1.80 0.04 0.00 0.21 0.00 0.00 52.86 55.00 3cmr s ASN 90 Cb -0.09 -2.56 0.67 0.00 -0.55 0.00 0.00 41.25 38.72 3cmr s ASN 90 CO 0.03 -0.62 1.98 0.50 -2.79 0.00 0.00 177.10 176.20 3cmr h LYS 91 N 7.58 0.68 -0.08 0.43 3.64 -1.94 0.22 116.57 127.11 3cmr h LYS 91 Ca -0.33 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 58.78 3cmr h LYS 91 Cb 1.15 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3cmr h LYS 91 CO 0.90 0.52 -0.71 0.87 -2.27 0.00 0.00 179.45 178.75 3cmr h LYS 92 N 0.69 0.62 0.00 1.90 1.57 -1.93 -3.38 116.57 116.03 3cmr h LYS 92 Ca 0.17 -0.56 -0.22 0.00 -1.87 0.00 0.00 60.65 58.17 3cmr h LYS 92 Cb 0.05 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3cmr h LYS 92 CO -0.03 1.18 -2.16 0.25 -0.57 0.00 0.00 179.45 178.13 3cmr n THR 93 N -4.07 0.87 -0.47 -0.16 -2.24 -1.11 -4.98 114.28 102.12 3cmr n THR 93 Ca -0.09 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3cmr n THR 93 Cb 0.71 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3cmr n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cmr n GLY 94 N 1.54 1.77 3.81 3.38 0.00 0.75 -5.02 105.19 111.43 3cmr n GLY 94 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3cmr n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cmr s LYS 95 N -0.06 2.74 0.47 1.61 1.02 -1.26 -4.70 119.74 119.56 3cmr s LYS 95 Ca 0.00 0.91 -0.24 0.00 0.02 0.00 0.00 55.97 56.65 3cmr s LYS 95 Cb 0.00 -1.97 -0.07 0.00 -0.52 0.00 0.00 37.83 35.26 3cmr s LYS 95 CO 0.00 -1.23 1.37 -2.14 -0.92 0.00 0.00 175.35 172.44 3cmr s PRO 96 N -5.06 3.60 -0.27 -1.68 0.02 -1.26 -0.41 135.00 129.93 3cmr s PRO 96 Ca 0.59 2.29 -0.00 0.00 0.02 0.00 0.00 61.00 63.89 3cmr s PRO 96 Cb -0.14 -2.56 0.05 0.00 0.02 0.00 0.00 34.50 31.87 3cmr s PRO 96 CO 0.55 -0.84 -0.05 0.34 -0.33 0.00 0.00 177.00 176.67 3cmr s ASP 97 N -0.71 4.59 0.39 2.53 -1.08 0.03 -4.57 116.67 117.85 3cmr s ASP 97 Ca 0.63 -1.20 0.27 0.00 -0.52 0.00 0.00 52.55 51.74 3cmr s ASP 97 Cb -0.41 -1.65 0.94 0.00 -1.46 0.00 0.00 42.92 40.34 3cmr s ASP 97 CO 0.51 -0.20 1.80 1.88 0.52 0.00 0.00 175.17 179.68 3cmr h TYR 98 N 7.94 0.00 -3.81 -5.34 0.05 -1.95 -0.47 116.97 113.40 3cmr h TYR 98 Ca -0.24 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.87 3cmr h TYR 98 Cb 1.07 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 38.45 3cmr h TYR 98 CO 0.61 0.00 -0.75 0.08 -1.05 0.00 0.00 178.16 177.05 3cmr s VAL 99 N -3.38 2.52 0.52 -2.88 1.01 -1.26 -4.47 120.40 112.47 3cmr s VAL 99 Ca 0.05 -1.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 3cmr s VAL 99 Cb 0.09 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.88 3cmr s VAL 99 CO 0.54 -0.13 0.99 0.28 0.00 0.00 0.00 175.10 176.79 3cmr s THR 100 N 1.14 4.40 0.69 3.92 -1.32 -1.26 -4.79 115.64 118.43 3cmr s THR 100 Ca -0.05 1.18 0.01 0.00 -1.21 0.00 0.00 61.69 61.62 3cmr s THR 100 Cb -0.20 -3.66 0.12 0.00 -1.51 0.00 0.00 72.50 67.25 3cmr s THR 100 CO -0.04 -0.63 0.96 1.51 -2.21 0.00 0.00 174.62 174.21 3cmr s ASP 101 N -2.95 4.48 0.35 8.08 -4.77 -1.26 -4.93 116.67 115.67 3cmr s ASP 101 Ca 0.60 -0.44 0.15 0.00 -3.30 0.00 0.00 52.55 49.56 3cmr s ASP 101 Cb -0.11 0.02 0.65 0.00 -1.09 0.00 0.00 42.92 42.40 3cmr s ASP 101 CO 0.31 -1.77 1.76 0.28 0.70 0.00 0.00 175.17 176.44 3cmr h SER 102 N -0.40 0.00 0.01 2.11 0.02 -1.99 -3.08 113.55 110.22 3cmr h SER 102 Ca -0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3cmr h SER 102 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3cmr h SER 102 CO 0.40 0.43 -0.00 0.00 -1.14 0.00 0.00 176.83 176.52 3cmr h ALA 103 N 1.57 -0.01 -0.63 3.77 0.00 -1.86 -2.03 119.26 120.08 3cmr h ALA 103 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3cmr h ALA 103 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3cmr h ALA 103 CO 0.06 -0.30 0.19 0.00 0.00 0.00 0.00 179.25 179.19 3cmr h ALA 104 N 0.59 1.15 -0.09 0.00 0.00 -1.60 -1.36 119.26 117.95 3cmr h ALA 104 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3cmr h ALA 104 Cb 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3cmr h ALA 104 CO 0.00 0.59 -0.23 0.66 0.00 0.00 0.00 179.25 180.27 3cmr h SER 105 N 0.92 0.35 -0.73 0.00 4.64 -1.56 -2.36 113.55 114.81 3cmr h SER 105 Ca 0.21 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3cmr h SER 105 Cb 0.27 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 3cmr h SER 105 CO -0.01 0.88 0.47 0.00 -0.87 0.00 0.00 176.83 177.30 3cmr h ALA 106 N 0.48 1.45 -0.37 5.18 0.00 -1.26 -0.32 119.26 124.41 3cmr h ALA 106 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3cmr h ALA 106 Cb 0.84 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3cmr h ALA 106 CO 0.05 0.50 0.17 1.15 0.00 0.00 0.00 179.25 181.11 3cmr h THR 107 N 1.00 1.14 -0.06 0.00 2.02 -1.17 -1.95 112.91 113.89 3cmr h THR 107 Ca 0.27 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3cmr h THR 107 Cb -0.09 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3cmr h THR 107 CO -0.05 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3cmr h ALA 108 N 1.66 0.08 0.00 6.16 0.00 -0.50 -1.62 119.26 125.04 3cmr h ALA 108 Ca 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3cmr h ALA 108 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cmr h ALA 108 CO -0.02 -0.25 -0.30 0.11 0.00 0.00 0.00 179.25 178.79 3cmr h TRP 109 N -0.17 0.00 0.00 0.00 0.09 -1.45 0.94 115.95 115.36 3cmr h TRP 109 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 3cmr h TRP 109 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.56 3cmr h TRP 109 CO 0.03 0.30 -0.62 -1.13 0.09 0.00 0.00 178.44 177.11 3cmr n SER 110 N -3.21 0.59 0.00 0.11 3.41 -0.74 -3.39 113.62 110.39 3cmr n SER 110 Ca 0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3cmr n SER 110 Cb 0.61 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 3cmr n SER 110 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3cmr n THR 111 N -1.83 0.00 -0.89 6.66 -1.04 -0.62 0.19 114.28 116.75 3cmr n THR 111 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3cmr n THR 111 Cb 0.40 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 3cmr n THR 111 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cmr n GLY 112 N 1.17 0.57 3.24 3.41 0.00 0.32 -4.88 105.19 109.02 3cmr n GLY 112 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3cmr n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cmr s VAL 113 N -2.06 2.01 0.69 1.61 1.01 -1.25 -4.93 120.40 117.48 3cmr s VAL 113 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 3cmr s VAL 113 Cb 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3cmr s VAL 113 CO 0.00 0.56 1.15 -0.54 0.00 0.00 0.00 175.10 176.27 3cmr s LYS 114 N 0.04 2.50 0.32 2.72 -0.14 -1.26 -3.91 119.74 120.01 3cmr s LYS 114 Ca -0.09 1.57 -0.06 0.00 -1.36 0.00 0.00 55.97 56.02 3cmr s LYS 114 Cb -0.15 -1.90 0.02 0.00 -1.68 0.00 0.00 37.83 34.13 3cmr s LYS 114 CO 0.06 -1.52 0.52 -2.37 -0.76 0.00 0.00 175.35 171.28 3cmr n THR 115 N -2.54 0.00 -2.79 2.17 5.66 -1.26 -4.51 114.28 111.01 3cmr n THR 115 Ca 0.12 -1.25 -0.31 0.00 -3.05 0.00 0.00 64.05 59.55 3cmr n THR 115 Cb 0.51 0.90 -0.04 0.00 -1.55 0.00 0.00 70.33 70.15 3cmr n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3cmr s TYR 116 N -3.22 3.43 0.08 1.09 1.13 -1.25 -1.33 117.35 117.28 3cmr s TYR 116 Ca 0.20 1.24 -0.35 0.00 -1.41 0.00 0.00 57.07 56.75 3cmr s TYR 116 Cb -0.02 -2.59 -0.15 0.00 -1.10 0.00 0.00 41.96 38.10 3cmr s TYR 116 CO 0.15 -0.14 1.54 0.09 -2.51 0.00 0.00 175.55 174.68 3cmr n ASN 117 N -1.13 2.57 0.00 -0.18 3.02 -1.25 -1.69 115.26 116.59 3cmr n ASN 117 Ca 0.04 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 3cmr n ASN 117 Cb 0.54 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 3cmr n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cmr n GLY 118 N 3.26 1.42 3.77 7.41 0.00 -1.26 -4.95 105.19 114.85 3cmr n GLY 118 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3cmr n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cmr s ALA 119 N -2.32 3.23 -0.22 4.61 0.00 -0.68 0.44 121.76 126.82 3cmr s ALA 119 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3cmr s ALA 119 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.96 3cmr s ALA 119 CO 0.00 0.08 -0.04 -0.51 0.00 0.00 0.00 175.76 175.30 3cmr s LEU 120 N -1.92 2.28 -1.05 0.00 1.43 -0.93 -3.46 118.68 115.02 3cmr s LEU 120 Ca 0.49 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 3cmr s LEU 120 Cb -0.22 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 44.94 3cmr s LEU 120 CO 0.28 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3cmr n GLY 121 N 4.75 1.10 3.24 -3.19 0.00 -1.25 -0.96 105.19 108.88 3cmr n GLY 121 Ca -0.11 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3cmr n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cmr s VAL 122 N -2.22 1.34 0.38 1.61 -7.23 -1.26 -1.81 120.40 111.21 3cmr s VAL 122 Ca 0.00 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3cmr s VAL 122 Cb 0.00 -1.49 0.07 0.00 0.56 0.00 0.00 36.38 35.53 3cmr s VAL 122 CO 0.00 -0.37 0.53 -0.90 -0.31 0.00 0.00 175.10 174.05 3cmr n ASP 123 N 0.65 0.90 0.32 4.85 5.68 -0.45 -4.76 116.55 123.73 3cmr n ASP 123 Ca -0.16 -1.71 0.21 0.00 -0.50 0.00 0.00 54.79 52.62 3cmr n ASP 123 Cb 0.56 -0.33 1.05 0.00 -1.14 0.00 0.00 41.12 41.27 3cmr n ASP 123 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3cmr h ILE 124 N -0.33 0.02 -0.15 2.12 3.07 -1.91 0.24 117.51 120.56 3cmr h ILE 124 Ca -0.18 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.07 3cmr h ILE 124 Cb 0.69 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 3cmr h ILE 124 CO 0.21 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.72 3cmr n HIS 125 N -3.10 0.19 -1.95 0.16 8.25 -1.26 -4.91 115.22 112.61 3cmr n HIS 125 Ca -0.02 -0.10 -0.17 0.00 -0.26 0.00 0.00 57.72 57.17 3cmr n HIS 125 Cb 0.14 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 3cmr n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3cmr n GLU 126 N 0.01 -1.28 -3.32 -0.41 1.02 0.83 -5.02 120.64 112.48 3cmr n GLU 126 Ca 0.13 0.95 -0.38 0.00 -0.02 0.00 0.00 57.16 57.84 3cmr n GLU 126 Cb 0.22 -5.30 -0.06 0.00 -0.02 0.00 0.00 31.44 26.29 3cmr n GLU 126 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cmr s LYS 127 N -4.21 4.14 0.42 3.49 1.02 -1.26 -4.79 119.74 118.56 3cmr s LYS 127 Ca 0.00 0.67 -0.23 0.00 0.02 0.00 0.00 55.97 56.42 3cmr s LYS 127 Cb 0.00 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 3cmr s LYS 127 CO 0.00 0.64 1.08 -0.51 -0.92 0.00 0.00 175.35 175.64 3cmr s ASP 128 N -1.15 6.57 0.02 2.83 1.01 -1.26 -1.35 116.67 123.35 3cmr s ASP 128 Ca 0.29 2.10 0.02 0.00 0.71 0.00 0.00 52.55 55.67 3cmr s ASP 128 Cb -0.19 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 3cmr s ASP 128 CO 0.18 -0.62 -0.07 -1.00 0.21 0.00 0.00 175.17 173.86 3cmr s HIS 129 N -1.65 0.63 0.53 4.23 3.76 -0.75 -4.91 115.29 117.13 3cmr s HIS 129 Ca 0.60 -0.32 -0.19 0.00 -0.15 0.00 0.00 55.06 55.00 3cmr s HIS 129 Cb -0.23 -0.39 -0.07 0.00 1.11 0.00 0.00 32.58 33.00 3cmr s HIS 129 CO 0.29 -0.04 1.05 -2.14 -0.85 0.00 0.00 174.74 173.04 3cmr s PRO 130 N -0.95 3.62 0.24 8.40 0.02 -1.26 -4.82 135.00 140.24 3cmr s PRO 130 Ca -0.04 1.31 0.04 0.00 0.02 0.00 0.00 61.00 62.33 3cmr s PRO 130 Cb -0.07 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 3cmr s PRO 130 CO 0.00 -0.57 0.37 0.95 -0.33 0.00 0.00 177.00 177.41 3cmr s THR 131 N -2.15 5.26 0.39 0.99 -4.23 -1.26 -4.48 115.64 110.16 3cmr s THR 131 Ca 0.66 -0.89 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 3cmr s THR 131 Cb -0.16 -3.84 0.30 0.00 1.34 0.00 0.00 72.50 70.14 3cmr s THR 131 CO 0.26 -0.31 1.97 -0.29 -0.54 0.00 0.00 174.62 175.71 3cmr h ILE 132 N 1.21 0.97 -0.49 2.99 6.09 -0.58 -0.02 117.51 127.68 3cmr h ILE 132 Ca -0.51 -0.21 -0.10 0.00 -1.37 0.00 0.00 64.86 62.67 3cmr h ILE 132 Cb 1.22 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 3cmr h ILE 132 CO 0.62 0.11 -0.08 0.25 -3.07 0.00 0.00 178.15 175.98 3cmr h LEU 133 N 0.62 0.92 -0.34 2.19 6.46 -1.84 -0.14 115.31 123.18 3cmr h LEU 133 Ca 0.30 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 3cmr h LEU 133 Cb 0.36 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3cmr h LEU 133 CO -0.10 1.05 0.10 -0.33 -0.62 0.00 0.00 178.44 178.55 3cmr h GLU 134 N 0.78 0.53 -0.78 1.25 5.08 -1.62 -1.15 114.58 118.67 3cmr h GLU 134 Ca 0.13 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3cmr h GLU 134 Cb 0.63 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3cmr h GLU 134 CO 0.04 0.57 0.38 0.52 -1.00 0.00 0.00 179.01 179.52 3cmr h MET 135 N 0.40 1.13 -0.03 2.33 2.86 -0.96 -0.34 114.93 120.31 3cmr h MET 135 Ca 0.11 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3cmr h MET 135 Cb 0.26 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3cmr h MET 135 CO -0.00 0.87 -0.05 0.00 1.06 0.00 0.00 176.91 178.79 3cmr h ALA 136 N 1.19 -0.02 -0.25 6.32 0.00 -0.79 -2.14 119.26 123.57 3cmr h ALA 136 Ca 0.27 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3cmr h ALA 136 Cb 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3cmr h ALA 136 CO -0.03 -0.53 0.08 -0.22 0.00 0.00 0.00 179.25 178.54 3cmr h LYS 137 N -0.07 0.18 -0.90 0.00 3.64 -1.00 -1.26 116.57 117.16 3cmr h LYS 137 Ca 0.03 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.58 3cmr h LYS 137 Cb 0.11 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 3cmr h LYS 137 CO -0.07 0.12 0.59 0.00 -2.27 0.00 0.00 179.45 177.81 3cmr h ALA 138 N 1.16 2.04 -0.20 5.00 0.00 -0.77 -1.75 119.26 124.74 3cmr h ALA 138 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cmr h ALA 138 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3cmr h ALA 138 CO -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.81 3cmr n ALA 139 N -2.47 2.47 -0.75 0.00 0.00 -0.56 -4.88 120.51 114.31 3cmr n ALA 139 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3cmr n ALA 139 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3cmr n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cmr n GLY 140 N 0.84 0.75 3.83 0.00 0.00 -0.66 -5.06 105.19 104.88 3cmr n GLY 140 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3cmr n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cmr s LEU 141 N 0.00 4.12 0.51 0.99 1.43 -0.71 -4.78 118.68 120.25 3cmr s LEU 141 Ca 0.00 1.50 -0.20 0.00 -1.03 0.00 0.00 54.13 54.39 3cmr s LEU 141 Cb 0.00 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.04 3cmr s LEU 141 CO 0.00 -0.19 1.12 0.00 0.23 0.00 0.00 176.35 177.51 3cmr s ALA 142 N -1.90 2.79 -0.03 4.21 0.00 -0.61 -4.03 121.76 122.18 3cmr s ALA 142 Ca 0.54 0.80 0.02 0.00 0.00 0.00 0.00 51.96 53.31 3cmr s ALA 142 Cb -0.12 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3cmr s ALA 142 CO 0.18 -0.65 -0.06 0.95 0.00 0.00 0.00 175.76 176.18 3cmr s THR 143 N -1.76 0.55 0.03 0.00 -4.23 -1.26 -0.88 115.64 108.08 3cmr s THR 143 Ca 0.70 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 61.05 3cmr s THR 143 Cb -0.23 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 3cmr s THR 143 CO 0.27 0.20 -0.13 -0.83 -0.54 0.00 0.00 174.62 173.59 3cmr s GLY 144 N 0.47 0.72 -0.20 3.99 0.00 0.08 -1.85 107.32 110.54 3cmr s GLY 144 Ca -0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 3cmr s GLY 144 CO 0.00 -0.73 0.13 0.21 0.00 0.00 0.00 173.10 172.71 3cmr s ASN 145 N -1.01 2.34 -0.01 1.64 2.47 -0.00 -1.60 114.94 118.76 3cmr s ASN 145 Ca 0.01 -0.65 0.03 0.00 0.42 0.00 0.00 52.86 52.67 3cmr s ASN 145 Cb -0.07 -0.12 -0.01 0.00 -1.45 0.00 0.00 41.25 39.60 3cmr s ASN 145 CO 0.01 -0.36 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.23 3cmr s VAL 146 N 2.17 0.89 -0.01 -5.21 1.01 -0.21 -1.21 120.40 117.83 3cmr s VAL 146 Ca 0.04 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 3cmr s VAL 146 Cb -0.16 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.53 3cmr s VAL 146 CO -0.15 0.26 0.62 -0.55 0.00 0.00 0.00 175.10 175.28 3cmr s SER 147 N -0.14 -0.58 0.00 3.32 0.15 -0.22 -0.98 113.70 115.24 3cmr s SER 147 Ca 0.02 0.51 0.26 0.00 0.70 0.00 0.00 55.95 57.44 3cmr s SER 147 Cb -0.06 0.52 0.70 0.00 -1.71 0.00 0.00 66.02 65.47 3cmr s SER 147 CO -0.00 -0.65 1.54 0.35 1.20 0.00 0.00 173.24 175.68 3cmr n THR 148 N 0.73 0.00 -1.91 6.45 -2.24 -0.90 -3.96 114.28 112.45 3cmr n THR 148 Ca -0.19 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 3cmr n THR 148 Cb 0.58 0.18 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 3cmr n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cmr s ALA 149 N -2.85 3.05 0.01 6.98 0.00 -1.26 -0.44 121.76 127.25 3cmr s ALA 149 Ca 0.16 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.67 3cmr s ALA 149 Cb 0.18 -3.04 -0.13 0.00 0.00 0.00 0.00 23.12 20.13 3cmr s ALA 149 CO 0.62 -0.82 0.67 0.39 0.00 0.00 0.00 175.76 176.62 3cmr n GLU 150 N -2.81 0.00 0.18 0.00 1.02 -1.24 -1.74 120.64 116.04 3cmr n GLU 150 Ca 0.06 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.34 3cmr n GLU 150 Cb 0.55 -0.95 0.57 0.00 -0.02 0.00 0.00 31.44 31.58 3cmr n GLU 150 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3cmr h LEU 151 N 1.85 0.00 -0.09 -4.62 3.38 -1.46 0.35 115.31 114.72 3cmr h LEU 151 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3cmr h LEU 151 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3cmr h LEU 151 CO 0.42 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.51 3cmr h GLN 152 N 0.00 0.00 -7.25 1.13 7.50 -1.89 -3.28 115.11 111.32 3cmr h GLN 152 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 3cmr h GLN 152 Cb 0.41 0.00 0.20 0.00 0.05 0.00 0.00 27.48 28.14 3cmr h GLN 152 CO 0.00 0.00 0.22 -3.47 -1.50 0.00 0.00 178.83 174.08 3cmr n ASP 153 N -2.40 0.37 -0.28 1.46 2.03 0.11 -4.60 116.55 113.23 3cmr n ASP 153 Ca 0.05 0.44 0.07 0.00 0.52 0.00 0.00 54.79 55.87 3cmr n ASP 153 Cb 0.43 -1.48 0.23 0.00 -0.72 0.00 0.00 41.12 39.57 3cmr n ASP 153 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cmr h ALA 154 N -1.77 1.23 0.24 -1.67 0.00 -1.89 -1.81 119.26 113.59 3cmr h ALA 154 Ca -0.43 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3cmr h ALA 154 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3cmr h ALA 154 CO 0.41 -0.17 -0.11 1.15 0.00 0.00 0.00 179.25 180.53 3cmr h THR 155 N 0.53 0.73 -0.31 0.00 2.02 -1.89 -0.65 112.91 113.34 3cmr h THR 155 Ca 0.46 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 3cmr h THR 155 Cb 0.71 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3cmr h THR 155 CO -0.40 0.16 -0.26 1.55 0.37 0.00 0.00 175.52 176.95 3cmr h PRO 156 N -0.84 0.61 -0.88 6.66 0.13 -1.83 -3.22 132.00 132.64 3cmr h PRO 156 Ca -0.03 -0.24 0.07 0.00 -0.87 0.00 0.00 66.00 64.92 3cmr h PRO 156 Cb 0.51 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.55 3cmr h PRO 156 CO 0.05 0.81 0.54 0.00 -0.23 0.00 0.00 178.00 179.17 3cmr h ALA 157 N 1.19 1.22 -0.26 -0.56 0.00 -1.29 -2.53 119.26 117.02 3cmr h ALA 157 Ca 0.07 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3cmr h ALA 157 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3cmr h ALA 157 CO 0.06 0.27 0.28 0.00 0.00 0.00 0.00 179.25 179.86 3cmr h ALA 158 N 1.42 1.92 0.00 0.00 0.00 -1.11 0.07 119.26 121.56 3cmr h ALA 158 Ca 0.39 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 3cmr h ALA 158 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3cmr h ALA 158 CO -0.18 -0.42 -0.23 -0.07 0.00 0.00 0.00 179.25 178.34 3cmr h LEU 159 N 0.00 0.00 -0.26 0.00 3.38 -1.62 -3.39 115.31 113.42 3cmr h LEU 159 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3cmr h LEU 159 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3cmr h LEU 159 CO -0.00 0.23 0.00 1.33 0.09 0.00 0.00 178.44 180.09 3cmr n VAL 160 N -3.25 0.00 -4.37 1.22 0.24 -0.27 -4.47 118.33 107.43 3cmr n VAL 160 Ca 0.02 -0.17 -0.19 0.00 -2.04 0.00 0.00 64.34 61.96 3cmr n VAL 160 Cb 0.53 1.52 -0.15 0.00 -1.47 0.00 0.00 33.84 34.27 3cmr n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cmr s ALA 161 N -0.07 0.78 -0.33 2.33 0.00 -0.15 -3.97 121.76 120.35 3cmr s ALA 161 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.56 3cmr s ALA 161 Cb 0.00 -0.19 0.10 0.00 0.00 0.00 0.00 23.12 23.03 3cmr s ALA 161 CO 0.00 0.18 0.05 -1.01 0.00 0.00 0.00 175.76 174.98 3cmr s HIS 162 N -0.28 3.44 0.02 0.00 0.09 -1.25 -3.84 115.29 113.47 3cmr s HIS 162 Ca 0.03 -2.78 0.00 0.00 -0.00 0.00 0.00 55.06 52.31 3cmr s HIS 162 Cb -0.04 -2.69 -0.02 0.00 -0.00 0.00 0.00 32.58 29.82 3cmr s HIS 162 CO -0.00 -0.93 -0.04 0.14 -0.00 0.00 0.00 174.74 173.91 3cmr s VAL 163 N 1.02 0.18 -0.77 -0.90 -7.23 -0.13 -4.94 120.40 107.62 3cmr s VAL 163 Ca 0.10 -0.95 0.26 0.00 -1.81 0.00 0.00 61.98 59.58 3cmr s VAL 163 Cb -0.19 -0.33 0.27 0.00 0.56 0.00 0.00 36.38 36.69 3cmr s VAL 163 CO -0.10 -0.49 1.79 0.35 -0.31 0.00 0.00 175.10 176.34 3cmr n THR 164 N 1.56 0.51 -3.74 5.32 -2.24 -1.26 -2.20 114.28 112.23 3cmr n THR 164 Ca -0.24 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3cmr n THR 164 Cb 0.55 -0.65 -0.15 0.00 -2.10 0.00 0.00 70.33 67.98 3cmr n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cmr s SER 165 N -4.09 0.06 0.11 3.42 0.15 -1.26 -4.34 113.70 107.76 3cmr s SER 165 Ca 0.10 0.24 0.09 0.00 0.70 0.00 0.00 55.95 57.09 3cmr s SER 165 Cb 0.13 0.13 0.47 0.00 -1.71 0.00 0.00 66.02 65.04 3cmr s SER 165 CO 0.54 -0.16 1.29 -1.54 1.20 0.00 0.00 173.24 174.57 3cmr n SER 166 N 4.37 0.20 0.03 5.45 3.41 0.17 -1.84 113.62 125.41 3cmr n SER 166 Ca -0.24 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.04 3cmr n SER 166 Cb 0.51 -0.61 0.36 0.00 -0.26 0.00 0.00 64.21 64.21 3cmr n SER 166 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cmr n LYS 167 N -1.76 0.05 -1.33 4.33 5.02 -1.26 -4.50 118.16 118.72 3cmr n LYS 167 Ca 0.00 0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 56.21 3cmr n LYS 167 Cb 0.04 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 3cmr n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cmr h TYR 169 N 4.80 0.09 -3.49 0.00 -1.99 -1.88 -1.04 116.97 113.45 3cmr h TYR 169 Ca 0.81 0.01 -0.25 0.00 2.00 0.00 0.00 58.73 61.31 3cmr h TYR 169 Cb 0.38 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.04 3cmr h TYR 169 CO 1.86 0.03 -0.23 0.41 -0.00 0.00 0.00 178.16 180.23 3cmr n GLY 170 N -1.18 3.34 0.28 3.88 0.00 -1.26 -1.64 105.19 108.61 3cmr n GLY 170 Ca -0.02 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.31 3cmr n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cmr h PRO 171 N 0.00 0.37 -0.15 1.61 0.11 -1.90 -1.51 132.00 130.53 3cmr h PRO 171 Ca -0.13 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 3cmr h PRO 171 Cb 0.64 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3cmr h PRO 171 CO 0.19 0.25 0.04 1.03 -0.21 0.00 0.00 178.00 179.29 3cmr h SER 172 N 0.38 0.23 -0.04 -2.05 0.87 -1.97 -0.98 113.55 109.99 3cmr h SER 172 Ca 0.44 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 3cmr h SER 172 Cb 0.71 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3cmr h SER 172 CO -0.45 0.40 -0.33 0.00 -0.53 0.00 0.00 176.83 175.92 3cmr h ALA 173 N 0.84 0.98 -0.35 6.23 0.00 -1.84 -3.07 119.26 122.05 3cmr h ALA 173 Ca 0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3cmr h ALA 173 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3cmr h ALA 173 CO 0.00 0.60 -0.06 1.15 0.00 0.00 0.00 179.25 180.95 3cmr h THR 174 N 0.44 1.27 -0.42 0.00 2.02 -1.05 0.82 112.91 115.99 3cmr h THR 174 Ca 0.05 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 3cmr h THR 174 Cb 0.78 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3cmr h THR 174 CO 0.06 0.36 0.20 0.28 0.37 0.00 0.00 175.52 176.79 3cmr h SER 175 N 0.44 0.51 0.09 4.18 0.02 -1.17 0.41 113.55 118.04 3cmr h SER 175 Ca 0.09 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 3cmr h SER 175 Cb 0.54 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.97 3cmr h SER 175 CO 0.03 0.44 -0.68 -0.08 -1.14 0.00 0.00 176.83 175.40 3cmr h GLU 176 N 0.58 0.30 0.00 3.45 4.81 -1.38 -3.37 114.58 118.96 3cmr h GLU 176 Ca 0.15 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3cmr h GLU 176 Cb 0.06 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3cmr h GLU 176 CO -0.02 1.18 -1.42 1.63 -0.73 0.00 0.00 179.01 179.65 3cmr n LYS 177 N -4.20 0.47 -3.17 1.92 5.02 0.25 -4.62 118.16 113.83 3cmr n LYS 177 Ca -0.13 -0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 55.86 3cmr n LYS 177 Cb 0.75 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.48 3cmr n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cmr h PRO 179 N 3.37 0.00 0.00 0.00 0.13 -1.70 0.13 132.00 133.92 3cmr h PRO 179 Ca 0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.18 3cmr h PRO 179 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3cmr h PRO 179 CO 0.58 0.00 -0.26 0.78 -0.23 0.00 0.00 178.00 178.87 3cmr h GLY 180 N 0.02 0.00 0.79 1.56 0.00 -1.93 -2.93 103.07 100.59 3cmr h GLY 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cmr h GLY 180 CO 0.00 0.00 -0.83 0.70 0.00 0.00 0.00 176.54 176.41 3cmr n ASN 181 N -3.71 0.63 -4.73 0.19 5.03 0.37 -3.91 115.26 109.13 3cmr n ASN 181 Ca -0.01 -0.16 -0.42 0.00 0.87 0.00 0.00 54.58 54.86 3cmr n ASN 181 Cb 0.37 0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 39.64 3cmr n ASN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cmr s ALA 182 N -3.15 3.80 0.26 5.41 0.00 -0.80 0.01 121.76 127.30 3cmr s ALA 182 Ca 0.06 1.47 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 3cmr s ALA 182 Cb 0.15 -3.64 0.39 0.00 0.00 0.00 0.00 23.12 20.02 3cmr s ALA 182 CO 0.76 -0.85 1.87 1.25 0.00 0.00 0.00 175.76 178.79 3cmr h LEU 183 N 6.21 0.96 -0.67 0.00 5.85 -1.90 0.11 115.31 125.87 3cmr h LEU 183 Ca -0.44 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3cmr h LEU 183 Cb 1.21 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3cmr h LEU 183 CO 0.89 0.61 0.00 1.05 -0.34 0.00 0.00 178.44 180.64 3cmr h GLU 184 N 1.09 0.00 -0.66 1.25 9.09 -1.89 -1.11 114.58 122.35 3cmr h GLU 184 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 3cmr h GLU 184 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 3cmr h GLU 184 CO -0.18 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.51 3cmr n LYS 185 N -2.48 3.53 -0.54 1.06 5.02 0.29 -4.94 118.16 120.10 3cmr n LYS 185 Ca 0.03 -2.84 0.00 0.00 -2.02 0.00 0.00 58.31 53.48 3cmr n LYS 185 Cb 0.31 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3cmr n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cmr n GLY 186 N 1.19 0.74 3.96 0.72 0.00 -0.42 -4.90 105.19 106.48 3cmr n GLY 186 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 3cmr n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cmr s GLY 187 N -1.89 1.76 0.39 -0.02 0.00 -0.58 -4.98 107.32 102.00 3cmr s GLY 187 Ca 0.00 -1.39 0.28 0.00 0.00 0.00 0.00 44.72 43.61 3cmr s GLY 187 CO 0.00 -0.73 1.84 0.50 0.00 0.00 0.00 173.10 174.70 3cmr h LYS 188 N -1.12 0.00 0.00 2.90 1.57 -1.82 -3.38 116.57 114.72 3cmr h LYS 188 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3cmr h LYS 188 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3cmr h LYS 188 CO 0.41 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.70 3cmr n GLY 189 N 0.09 0.89 3.58 3.86 0.00 0.10 -4.53 105.19 109.19 3cmr n GLY 189 Ca 0.02 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 3cmr n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cmr s SER 190 N 0.00 1.77 0.23 1.61 1.04 -1.26 -4.71 113.70 112.38 3cmr s SER 190 Ca 0.00 1.38 -0.07 0.00 0.48 0.00 0.00 55.95 57.74 3cmr s SER 190 Cb 0.00 -2.10 0.30 0.00 0.10 0.00 0.00 66.02 64.32 3cmr s SER 190 CO 0.00 -3.69 1.83 0.40 0.98 0.00 0.00 173.24 172.76 3cmr h ILE 191 N -2.27 1.01 -0.37 -1.02 2.04 -1.18 -1.57 117.51 114.15 3cmr h ILE 191 Ca -0.58 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 64.84 3cmr h ILE 191 Cb 1.33 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3cmr h ILE 191 CO 0.54 0.16 -0.34 0.74 0.00 0.00 0.00 178.15 179.24 3cmr h THR 192 N 0.86 1.28 -0.56 -0.27 2.02 -1.56 -1.27 112.91 113.42 3cmr h THR 192 Ca 0.35 -1.50 -0.09 0.00 0.77 0.00 0.00 66.41 65.93 3cmr h THR 192 Cb 0.18 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3cmr h THR 192 CO -0.18 0.50 -0.02 -0.33 0.37 0.00 0.00 175.52 175.86 3cmr h GLU 193 N 0.70 0.99 -0.23 6.66 5.08 -1.77 -1.83 114.58 124.20 3cmr h GLU 193 Ca 0.07 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 3cmr h GLU 193 Cb 0.90 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3cmr h GLU 193 CO 0.08 1.00 -0.46 1.96 -1.00 0.00 0.00 179.01 180.60 3cmr h GLN 194 N 0.88 0.57 -0.88 2.33 4.20 -1.17 -1.75 115.11 119.28 3cmr h GLN 194 Ca 0.16 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.59 3cmr h GLN 194 Cb 0.56 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 3cmr h GLN 194 CO 0.03 0.91 0.57 1.25 -0.67 0.00 0.00 178.83 180.92 3cmr h LEU 195 N 0.46 0.93 -0.90 1.46 6.46 -1.05 0.88 115.31 123.54 3cmr h LEU 195 Ca 0.03 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 3cmr h LEU 195 Cb 0.98 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 3cmr h LEU 195 CO 0.09 0.62 -0.44 -0.07 -0.62 0.00 0.00 178.44 178.02 3cmr h LEU 196 N 1.08 0.25 -0.29 2.25 3.38 -0.93 -2.78 115.31 118.27 3cmr h LEU 196 Ca 0.36 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 3cmr h LEU 196 Cb 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3cmr h LEU 196 CO -0.13 0.66 -0.29 0.78 0.09 0.00 0.00 178.44 179.55 3cmr h ASN 197 N 0.20 0.75 -0.78 -0.43 2.35 -0.84 -3.25 115.58 113.58 3cmr h ASN 197 Ca 0.01 -0.47 0.07 0.00 -0.55 0.00 0.00 56.30 55.37 3cmr h ASN 197 Cb 0.86 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.95 3cmr h ASN 197 CO 0.07 1.07 0.45 0.00 -1.65 0.00 0.00 177.43 177.37 3cmr h ALA 198 N 0.71 1.08 -5.93 -0.83 0.00 -0.66 -3.47 119.26 110.16 3cmr h ALA 198 Ca 0.05 0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 3cmr h ALA 198 Cb 0.86 -0.16 0.11 0.00 0.00 0.00 0.00 17.79 18.60 3cmr h ALA 198 CO 0.07 0.13 -0.86 -2.13 0.00 0.00 0.00 179.25 176.46 3cmr n ARG 199 N -4.72 -3.52 -1.60 0.00 0.63 -1.07 -4.94 116.66 101.44 3cmr n ARG 199 Ca 0.11 0.66 -0.37 0.00 -0.92 0.00 0.00 57.85 57.33 3cmr n ARG 199 Cb 0.21 -5.13 0.07 0.00 0.45 0.00 0.00 32.46 28.06 3cmr n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cmr n ALA 200 N -3.99 0.39 -0.17 5.13 0.00 -1.26 -4.93 120.51 115.68 3cmr n ALA 200 Ca -0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 3cmr n ALA 200 Cb 0.64 -2.18 0.02 0.00 0.00 0.00 0.00 19.45 17.93 3cmr n ALA 200 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cmr h ASP 201 N 0.32 0.61 -3.17 0.00 3.32 -1.75 -3.41 116.42 112.34 3cmr h ASP 201 Ca -0.49 -0.06 -0.55 0.00 0.02 0.00 0.00 57.03 55.95 3cmr h ASP 201 Cb 1.35 -0.15 -0.37 0.00 0.22 0.00 0.00 39.33 40.38 3cmr h ASP 201 CO 0.51 0.49 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.01 3cmr s VAL 202 N -5.99 1.17 -0.12 -1.35 1.01 -0.77 -0.43 120.40 113.92 3cmr s VAL 202 Ca -0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3cmr s VAL 202 Cb 0.12 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3cmr s VAL 202 CO 0.75 0.39 -0.05 -0.89 0.00 0.00 0.00 175.10 175.29 3cmr s THR 203 N 1.65 0.91 -0.06 3.92 2.01 -0.39 -0.82 115.64 122.86 3cmr s THR 203 Ca 0.05 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 3cmr s THR 203 Cb -0.13 -1.01 0.03 0.00 0.01 0.00 0.00 72.50 71.40 3cmr s THR 203 CO -0.09 0.28 0.01 -0.76 -0.69 0.00 0.00 174.62 173.37 3cmr s LEU 204 N 1.74 0.69 0.00 4.42 1.43 -0.35 -0.37 118.68 126.24 3cmr s LEU 204 Ca 0.04 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3cmr s LEU 204 Cb -0.13 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.73 3cmr s LEU 204 CO -0.08 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 176.94 3cmr n GLY 205 N 4.89 1.13 0.00 -3.19 0.00 -0.66 -1.06 105.19 106.30 3cmr n GLY 205 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3cmr n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cmr n GLY 206 N 0.00 2.19 0.63 -0.02 0.00 -0.71 -0.40 105.19 106.88 3cmr n GLY 206 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3cmr n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cmr n GLY 207 N 5.00 0.91 0.38 -0.02 0.00 -0.44 -1.22 105.19 109.80 3cmr n GLY 207 Ca 0.00 -0.34 0.20 0.00 0.00 0.00 0.00 46.02 45.88 3cmr n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cmr h ALA 208 N 0.00 2.50 0.20 4.61 0.00 -1.01 -3.23 119.26 122.33 3cmr h ALA 208 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3cmr h ALA 208 Cb 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3cmr h ALA 208 CO 0.00 -0.65 -0.28 -0.22 0.00 0.00 0.00 179.25 178.10 3cmr h LYS 209 N 0.01 -0.53 0.00 0.00 3.64 -1.41 -1.66 116.57 116.61 3cmr h LYS 209 Ca 0.25 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3cmr h LYS 209 Cb 1.01 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3cmr h LYS 209 CO -0.00 -0.35 -0.03 1.15 -2.27 0.00 0.00 179.45 177.95 3cmr h THR 210 N -0.55 0.70 0.00 1.00 2.02 -1.81 -1.20 112.91 113.06 3cmr h THR 210 Ca 0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3cmr h THR 210 Cb 0.53 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3cmr h THR 210 CO -0.11 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.30 3cmr n PHE 211 N -4.04 0.30 0.59 3.16 3.01 -0.63 -1.39 117.46 118.46 3cmr n PHE 211 Ca -0.03 0.12 0.10 0.00 1.01 0.00 0.00 57.45 58.65 3cmr n PHE 211 Cb 0.11 -0.69 0.42 0.00 -0.01 0.00 0.00 39.48 39.31 3cmr n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cmr n ALA 212 N -1.60 1.85 -1.79 4.37 0.00 -0.45 -1.51 120.51 121.38 3cmr n ALA 212 Ca 0.03 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3cmr n ALA 212 Cb 0.18 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 3cmr n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3cmr s GLU 213 N -3.08 3.77 -0.02 0.00 2.02 -0.49 -4.72 118.70 116.19 3cmr s GLU 213 Ca 0.08 1.49 -0.07 0.00 0.02 0.00 0.00 54.97 56.49 3cmr s GLU 213 Cb 0.12 -2.19 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 3cmr s GLU 213 CO 0.38 -0.48 0.24 0.95 0.02 0.00 0.00 175.26 176.37 3cmr s THR 214 N -1.83 5.34 0.54 3.63 -4.23 -1.26 -0.23 115.64 117.60 3cmr s THR 214 Ca 0.66 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 61.16 3cmr s THR 214 Cb -0.20 -3.54 -0.06 0.00 1.34 0.00 0.00 72.50 70.03 3cmr s THR 214 CO 0.24 0.42 1.07 0.00 -0.54 0.00 0.00 174.62 175.81 3cmr s ALA 215 N -1.24 2.77 -0.61 3.99 0.00 -0.91 -4.81 121.76 120.94 3cmr s ALA 215 Ca 0.25 0.59 0.22 0.00 0.00 0.00 0.00 51.96 53.03 3cmr s ALA 215 Cb -0.13 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 3cmr s ALA 215 CO 0.14 -0.62 0.93 0.25 0.00 0.00 0.00 175.76 176.46 3cmr n THR 216 N -1.43 0.11 -3.69 0.00 -2.24 -1.26 -1.32 114.28 104.45 3cmr n THR 216 Ca 0.10 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.57 3cmr n THR 216 Cb 0.52 0.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.10 3cmr n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cmr n ALA 217 N -1.82 -1.31 -0.07 6.98 0.00 -1.26 -4.87 120.51 118.16 3cmr n ALA 217 Ca 0.01 -1.08 0.01 0.00 0.00 0.00 0.00 53.44 52.39 3cmr n ALA 217 Cb 0.43 0.86 -0.00 0.00 0.00 0.00 0.00 19.45 20.74 3cmr n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cmr n GLY 218 N -0.44 -2.20 0.32 0.00 0.00 -1.26 -3.49 105.19 98.13 3cmr n GLY 218 Ca -0.06 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.53 3cmr n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cmr h GLU 219 N 0.00 0.51 -0.74 1.61 4.81 -2.02 -2.35 114.58 116.39 3cmr h GLU 219 Ca 0.00 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.84 3cmr h GLU 219 Cb 0.06 -0.11 -0.22 0.00 0.63 0.00 0.00 28.75 29.10 3cmr h GLU 219 CO 0.00 0.34 0.36 0.91 -0.73 0.00 0.00 179.01 179.89 3cmr n TRP 220 N -4.47 2.32 -1.61 0.92 8.01 -1.26 -5.00 117.44 116.33 3cmr n TRP 220 Ca 0.06 -1.67 -0.45 0.00 -1.31 0.00 0.00 57.50 54.13 3cmr n TRP 220 Cb 0.16 -0.76 -0.02 0.00 -2.01 0.00 0.00 31.31 28.69 3cmr n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 3cmr n GLN 221 N -1.00 1.52 0.00 -0.99 -0.06 -0.89 -2.02 117.38 113.94 3cmr n GLN 221 Ca 0.48 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 56.02 3cmr n GLN 221 Cb 1.42 -1.99 0.00 0.00 -4.06 0.00 0.00 30.24 25.61 3cmr n GLN 221 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3cmr n GLY 222 N 1.36 2.88 3.88 1.69 0.00 -0.44 -4.92 105.19 109.66 3cmr n GLY 222 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3cmr n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cmr s LYS 223 N 0.00 3.69 0.85 1.61 1.02 -0.86 -4.84 119.74 121.22 3cmr s LYS 223 Ca 0.00 0.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.93 3cmr s LYS 223 Cb 0.00 -2.86 0.11 0.00 -0.52 0.00 0.00 37.83 34.56 3cmr s LYS 223 CO 0.00 0.47 1.17 0.95 -0.92 0.00 0.00 175.35 177.02 3cmr s THR 224 N -1.61 2.18 0.12 2.17 -4.23 -1.26 -2.15 115.64 110.87 3cmr s THR 224 Ca 0.40 0.07 0.25 0.00 -1.18 0.00 0.00 61.69 61.23 3cmr s THR 224 Cb -0.12 -2.30 0.26 0.00 1.34 0.00 0.00 72.50 71.67 3cmr s THR 224 CO 0.22 -0.07 1.84 -0.07 -0.54 0.00 0.00 174.62 176.01 3cmr h LEU 225 N -1.35 0.00 0.07 4.79 3.38 0.15 -1.32 115.31 121.04 3cmr h LEU 225 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3cmr h LEU 225 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3cmr h LEU 225 CO 0.45 0.19 -0.04 -0.09 0.09 0.00 0.00 178.44 179.04 3cmr h ARG 226 N 0.00 -0.10 -0.77 1.13 2.43 -1.55 -2.03 114.38 113.50 3cmr h ARG 226 Ca -0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3cmr h ARG 226 Cb 0.72 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 3cmr h ARG 226 CO 0.02 0.11 0.46 0.93 -1.51 0.00 0.00 179.97 179.98 3cmr h GLU 227 N -0.29 0.81 -0.47 0.20 5.08 -1.78 -2.02 114.58 116.11 3cmr h GLU 227 Ca -0.01 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3cmr h GLU 227 Cb 0.25 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3cmr h GLU 227 CO 0.02 0.54 0.23 0.37 -1.00 0.00 0.00 179.01 179.17 3cmr h GLN 228 N 0.83 0.45 -0.33 2.33 4.15 -1.21 0.17 115.11 121.50 3cmr h GLN 228 Ca 0.34 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.76 3cmr h GLN 228 Cb 0.18 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3cmr h GLN 228 CO -0.18 0.30 0.13 0.00 -1.93 0.00 0.00 178.83 177.15 3cmr h ALA 229 N 1.26 0.39 -0.41 3.38 0.00 -0.78 -0.90 119.26 122.20 3cmr h ALA 229 Ca 0.21 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3cmr h ALA 229 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3cmr h ALA 229 CO -0.15 -0.26 0.11 1.96 0.00 0.00 0.00 179.25 180.91 3cmr h GLN 230 N 0.29 0.65 -0.14 0.00 4.20 -1.12 -1.28 115.11 117.71 3cmr h GLN 230 Ca 0.15 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.74 3cmr h GLN 230 Cb 0.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3cmr h GLN 230 CO -0.13 0.67 0.11 0.00 -0.67 0.00 0.00 178.83 178.81 3cmr h ALA 231 N 0.96 2.01 -0.42 3.87 0.00 -0.47 -1.83 119.26 123.38 3cmr h ALA 231 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cmr h ALA 231 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3cmr h ALA 231 CO 0.00 -0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.60 3cmr n ARG 232 N -4.29 2.85 -0.70 0.00 1.74 -0.36 -4.92 116.66 110.99 3cmr n ARG 232 Ca 0.00 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 3cmr n ARG 232 Cb 0.24 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3cmr n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cmr n GLY 233 N 0.81 0.64 3.76 -0.13 0.00 -0.69 -4.97 105.19 104.60 3cmr n GLY 233 Ca 0.17 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3cmr n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cmr s TYR 234 N -2.00 3.57 -0.25 1.61 1.51 -0.54 -3.99 117.35 117.27 3cmr s TYR 234 Ca 0.00 1.72 -0.25 0.00 -1.01 0.00 0.00 57.07 57.53 3cmr s TYR 234 Cb 0.00 -3.22 -0.00 0.00 -0.11 0.00 0.00 41.96 38.63 3cmr s TYR 234 CO 0.00 -0.44 0.84 -0.65 -1.11 0.00 0.00 175.55 174.19 3cmr s GLN 235 N -1.60 4.18 -0.18 -0.62 -0.21 0.89 -4.52 119.66 117.60 3cmr s GLN 235 Ca 0.46 0.95 -0.15 0.00 0.02 0.00 0.00 55.36 56.64 3cmr s GLN 235 Cb -0.29 -3.65 -0.04 0.00 1.00 0.00 0.00 33.01 30.02 3cmr s GLN 235 CO 0.38 -0.53 0.34 -0.51 -2.12 0.00 0.00 175.29 172.85 3cmr s LEU 236 N 2.87 4.20 0.19 2.90 1.43 -1.26 -0.85 118.68 128.17 3cmr s LEU 236 Ca 0.35 0.51 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 3cmr s LEU 236 Cb -0.15 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 3cmr s LEU 236 CO 0.07 0.01 -0.17 0.68 0.23 0.00 0.00 176.35 177.18 3cmr s VAL 237 N 0.87 1.83 0.00 -1.59 -7.23 -0.41 -4.98 120.40 108.89 3cmr s VAL 237 Ca 0.18 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3cmr s VAL 237 Cb -0.14 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.84 3cmr s VAL 237 CO 0.06 -0.44 0.00 -1.20 -0.31 0.00 0.00 175.10 173.21 3cmr n SER 238 N -0.06 0.08 -2.63 4.85 7.64 -1.26 -1.04 113.62 121.20 3cmr n SER 238 Ca -0.10 -0.03 -0.11 0.00 1.01 0.00 0.00 58.87 59.64 3cmr n SER 238 Cb 0.59 0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 3cmr n SER 238 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3cmr n ASP 239 N -0.08 -1.32 -0.09 6.43 5.75 -1.26 -4.44 116.55 121.54 3cmr n ASP 239 Ca 0.00 -2.53 -0.12 0.00 -0.01 0.00 0.00 54.79 52.12 3cmr n ASP 239 Cb 0.00 2.38 -0.05 0.00 -1.03 0.00 0.00 41.12 42.42 3cmr n ASP 239 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cmr h ALA 240 N 1.95 0.36 -0.67 2.12 0.00 -1.22 -1.63 119.26 120.17 3cmr h ALA 240 Ca -0.24 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 3cmr h ALA 240 Cb 1.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3cmr h ALA 240 CO 0.32 0.26 0.17 0.00 0.00 0.00 0.00 179.25 180.00 3cmr h ALA 241 N 0.71 1.04 -0.17 0.00 0.00 -1.97 -1.16 119.26 117.72 3cmr h ALA 241 Ca 0.05 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 3cmr h ALA 241 Cb 0.68 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3cmr h ALA 241 CO 0.04 0.63 -0.70 0.66 0.00 0.00 0.00 179.25 179.89 3cmr h SER 242 N 1.00 0.91 -0.70 0.00 4.64 -1.95 -2.25 113.55 115.19 3cmr h SER 242 Ca 0.21 -0.62 0.06 0.00 -0.47 0.00 0.00 61.79 60.97 3cmr h SER 242 Cb 0.34 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 3cmr h SER 242 CO -0.00 1.37 0.40 0.25 -0.87 0.00 0.00 176.83 177.98 3cmr h LEU 243 N 0.50 0.61 -1.16 5.97 5.85 -1.19 -2.70 115.31 123.20 3cmr h LEU 243 Ca -0.04 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3cmr h LEU 243 Cb 1.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3cmr h LEU 243 CO 0.15 0.40 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.31 3cmr h ASN 244 N 0.74 0.33 0.80 1.25 -1.24 -0.95 -2.81 115.58 113.70 3cmr h ASN 244 Ca 0.31 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3cmr h ASN 244 Cb 0.17 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.13 3cmr h ASN 244 CO -0.17 0.55 0.00 -1.54 -1.29 0.00 0.00 177.43 174.98 3cmr n SER 245 N -4.18 0.00 -4.74 1.15 3.41 -0.87 -4.81 113.62 103.58 3cmr n SER 245 Ca -0.00 0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 58.46 3cmr n SER 245 Cb 0.35 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3cmr n SER 245 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cmr s VAL 246 N -2.84 2.94 -0.14 -3.33 1.01 -1.06 -4.93 120.40 112.05 3cmr s VAL 246 Ca 0.18 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.99 3cmr s VAL 246 Cb 0.18 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 3cmr s VAL 246 CO 0.48 0.11 0.19 0.35 0.00 0.00 0.00 175.10 176.23 3cmr n THR 247 N 2.67 0.00 -3.69 3.92 -2.24 -1.26 -5.03 114.28 108.65 3cmr n THR 247 Ca 0.07 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 3cmr n THR 247 Cb 0.41 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.24 3cmr n THR 247 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3cmr s GLU 248 N -1.99 0.82 -0.05 -0.78 -1.05 -1.26 -5.00 118.70 109.38 3cmr s GLU 248 Ca -0.00 -0.19 -0.02 0.00 -0.15 0.00 0.00 54.97 54.61 3cmr s GLU 248 Cb 0.04 0.37 0.04 0.00 -0.44 0.00 0.00 34.13 34.14 3cmr s GLU 248 CO 0.25 -0.25 0.10 0.00 0.95 0.00 0.00 175.26 176.30 3cmr s ALA 249 N -1.74 -0.09 0.00 -0.84 0.00 -1.26 -4.89 121.76 112.93 3cmr s ALA 249 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3cmr s ALA 249 Cb -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3cmr s ALA 249 CO 0.03 -0.18 0.00 0.27 0.00 0.00 0.00 175.76 175.87 3cmr n ASN 250 N 4.34 0.00 0.20 0.00 0.23 -1.02 -4.87 115.26 114.12 3cmr n ASN 250 Ca -0.24 -0.73 0.08 0.00 -0.53 0.00 0.00 54.58 53.15 3cmr n ASN 250 Cb 0.51 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.44 3cmr n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3cmr h GLN 251 N 0.00 0.00 -0.20 -3.83 1.08 -1.94 0.24 115.11 110.46 3cmr h GLN 251 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 3cmr h GLN 251 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3cmr h GLN 251 CO 0.00 0.24 -0.51 1.96 -0.95 0.00 0.00 178.83 179.57 3cmr h GLN 252 N 0.00 0.70 -2.25 1.46 7.50 -1.96 -3.39 115.11 117.16 3cmr h GLN 252 Ca -0.00 -0.48 -0.59 0.00 0.50 0.00 0.00 58.65 58.08 3cmr h GLN 252 Cb 1.04 0.07 -0.40 0.00 0.05 0.00 0.00 27.48 28.24 3cmr h GLN 252 CO 0.03 1.10 -0.84 1.63 -1.50 0.00 0.00 178.83 179.25 3cmr n LYS 253 N -4.14 1.42 -2.04 1.46 5.02 -1.02 -4.83 118.16 114.03 3cmr n LYS 253 Ca -0.06 -3.89 -0.38 0.00 -2.02 0.00 0.00 58.31 51.96 3cmr n LYS 253 Cb 0.60 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 3cmr n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3cmr s PRO 254 N -1.51 3.63 -0.21 1.97 0.04 0.04 -2.44 135.00 136.52 3cmr s PRO 254 Ca 0.35 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 3cmr s PRO 254 Cb 0.12 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 3cmr s PRO 254 CO -0.09 -0.74 0.14 -1.17 0.04 0.00 0.00 177.00 175.18 3cmr s LEU 255 N -2.99 4.17 -0.22 -3.56 2.96 0.43 -0.08 118.68 119.40 3cmr s LEU 255 Ca 0.64 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 3cmr s LEU 255 Cb -0.35 -2.10 0.06 0.00 0.50 0.00 0.00 46.19 44.30 3cmr s LEU 255 CO 0.44 0.14 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.34 3cmr s LEU 256 N 0.63 2.21 -0.28 -0.68 2.96 -0.03 -1.26 118.68 122.23 3cmr s LEU 256 Ca 0.08 -1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 52.84 3cmr s LEU 256 Cb -0.12 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 3cmr s LEU 256 CO 0.00 -0.24 0.16 -0.83 -1.32 0.00 0.00 176.35 174.12 3cmr s GLY 257 N 1.50 1.88 -0.42 7.98 0.00 0.50 -1.29 107.32 117.46 3cmr s GLY 257 Ca -0.04 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 43.55 3cmr s GLY 257 CO -0.07 0.63 0.16 1.08 0.00 0.00 0.00 173.10 174.90 3cmr s LEU 258 N 1.70 4.24 0.00 0.66 1.43 -0.20 -1.65 118.68 124.86 3cmr s LEU 258 Ca 0.06 -2.52 0.24 0.00 -1.03 0.00 0.00 54.13 50.89 3cmr s LEU 258 Cb -0.16 -1.53 0.33 0.00 0.03 0.00 0.00 46.19 44.85 3cmr s LEU 258 CO 0.08 -0.31 1.34 0.49 0.23 0.00 0.00 176.35 178.18 3cmr n PHE 259 N 3.76 0.09 -3.46 0.29 3.72 0.46 -4.37 117.46 117.95 3cmr n PHE 259 Ca 0.04 -0.05 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3cmr n PHE 259 Cb 0.37 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 3cmr n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cmr s ALA 260 N -1.91 -1.68 0.16 4.37 0.00 -1.26 -4.96 121.76 116.48 3cmr s ALA 260 Ca 0.31 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 3cmr s ALA 260 Cb 0.21 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.88 3cmr s ALA 260 CO 0.31 -0.63 1.60 0.22 0.00 0.00 0.00 175.76 177.25 3cmr h ASP 261 N 2.30 0.98 0.00 0.00 3.58 -1.94 -0.75 116.42 120.59 3cmr h ASP 261 Ca -0.30 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 56.81 3cmr h ASP 261 Cb 1.25 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.03 3cmr h ASP 261 CO 0.37 1.08 0.00 0.61 -2.88 0.00 0.00 179.24 178.43 3cmr n GLY 262 N -0.31 2.13 3.82 -0.78 0.00 -1.26 -1.26 105.19 107.54 3cmr n GLY 262 Ca 0.01 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3cmr n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cmr s ASN 263 N 1.00 6.20 0.43 1.61 0.01 -1.26 -1.33 114.94 121.60 3cmr s ASN 263 Ca 0.00 1.71 -0.23 0.00 -0.71 0.00 0.00 52.86 53.62 3cmr s ASN 263 Cb 0.00 -2.52 -0.08 0.00 0.41 0.00 0.00 41.25 39.05 3cmr s ASN 263 CO 0.00 -0.88 1.10 -0.04 -1.51 0.00 0.00 177.10 175.77 3cmr s MET 264 N -4.04 3.96 0.34 -0.60 -1.94 0.42 -4.87 119.30 112.58 3cmr s MET 264 Ca 0.62 1.61 -0.28 0.00 -1.71 0.00 0.00 55.69 55.93 3cmr s MET 264 Cb -0.13 -2.45 -0.10 0.00 2.01 0.00 0.00 34.83 34.16 3cmr s MET 264 CO 0.34 -0.34 1.25 -1.25 -0.01 0.00 0.00 175.02 175.01 3cmr s PRO 265 N -2.64 4.30 0.81 2.03 0.04 -1.26 -4.94 135.00 133.33 3cmr s PRO 265 Ca 0.61 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.63 3cmr s PRO 265 Cb -0.24 -2.98 0.08 0.00 0.04 0.00 0.00 34.50 31.39 3cmr s PRO 265 CO 0.30 -0.19 1.09 0.14 0.04 0.00 0.00 177.00 178.38 3cmr s VAL 266 N -1.20 3.13 0.00 -0.36 -7.23 -1.26 -4.99 120.40 108.49 3cmr s VAL 266 Ca 0.51 0.37 0.02 0.00 -1.81 0.00 0.00 61.98 61.06 3cmr s VAL 266 Cb -0.37 -2.88 -0.26 0.00 0.56 0.00 0.00 36.38 33.44 3cmr s VAL 266 CO 0.48 -0.48 0.85 -0.09 -0.31 0.00 0.00 175.10 175.55 3cmr h ARG 267 N -1.25 0.16 -6.78 4.82 2.43 -1.88 -3.43 114.38 108.45 3cmr h ARG 267 Ca -0.46 -0.27 -0.68 0.00 -0.81 0.00 0.00 59.98 57.77 3cmr h ARG 267 Cb 1.25 0.10 -0.23 0.00 -0.42 0.00 0.00 29.97 30.67 3cmr h ARG 267 CO 0.53 0.97 -0.87 -1.58 -1.51 0.00 0.00 179.97 177.51 3cmr s TRP 268 N -2.62 2.25 -0.01 2.20 0.52 -1.26 -0.83 118.94 119.19 3cmr s TRP 268 Ca -0.07 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.69 3cmr s TRP 268 Cb 0.08 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 31.11 3cmr s TRP 268 CO 0.84 0.28 -0.08 -1.17 0.02 0.00 0.00 176.95 176.83 3cmr s LEU 269 N -1.85 3.08 0.08 2.99 2.96 0.97 -4.05 118.68 122.86 3cmr s LEU 269 Ca 0.13 -0.15 -0.27 0.00 -0.22 0.00 0.00 54.13 53.62 3cmr s LEU 269 Cb -0.10 -1.74 0.08 0.00 0.50 0.00 0.00 46.19 44.93 3cmr s LEU 269 CO 0.05 0.30 0.94 -0.83 -1.32 0.00 0.00 176.35 175.49 3cmr s GLY 270 N -1.25 -0.34 0.75 7.98 0.00 -1.26 -1.80 107.32 111.39 3cmr s GLY 270 Ca 0.15 0.54 -0.11 0.00 0.00 0.00 0.00 44.72 45.30 3cmr s GLY 270 CO 0.06 0.15 1.08 2.56 0.00 0.00 0.00 173.10 176.95 3cmr s PRO 271 N -3.19 2.48 0.44 2.90 0.04 -1.26 -4.85 135.00 131.56 3cmr s PRO 271 Ca 0.09 1.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.90 3cmr s PRO 271 Cb -0.01 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 3cmr s PRO 271 CO -0.03 -1.44 1.16 0.21 0.04 0.00 0.00 177.00 176.94 3cmr s LYS 272 N -4.99 3.86 0.62 4.56 2.20 -1.26 -4.58 119.74 120.14 3cmr s LYS 272 Ca 0.60 1.76 -0.18 0.00 -0.36 0.00 0.00 55.97 57.79 3cmr s LYS 272 Cb -0.16 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.67 3cmr s LYS 272 CO 0.55 -0.47 1.20 0.00 -0.36 0.00 0.00 175.35 176.27 3cmr s ALA 273 N -1.53 2.48 0.17 3.13 0.00 0.70 -5.01 121.76 121.71 3cmr s ALA 273 Ca 0.62 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3cmr s ALA 273 Cb -0.28 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 3cmr s ALA 273 CO 0.35 -1.26 0.01 0.95 0.00 0.00 0.00 175.76 175.82 3cmr s THR 274 N -1.72 0.61 0.08 0.00 -4.23 -0.89 -4.70 115.64 104.77 3cmr s THR 274 Ca 0.76 -1.97 -0.32 0.00 -1.18 0.00 0.00 61.69 58.97 3cmr s THR 274 Cb -0.29 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.29 3cmr s THR 274 CO 0.35 -0.45 1.81 0.00 -0.54 0.00 0.00 174.62 175.80 3cmr n TYR 275 N -0.24 2.49 -2.38 3.99 9.36 -1.25 -0.43 117.16 128.70 3cmr n TYR 275 Ca -0.06 -0.06 -0.19 0.00 3.32 0.00 0.00 57.90 60.91 3cmr n TYR 275 Cb 0.63 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.64 3cmr n TYR 275 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3cmr n HIS 276 N 5.61 -1.07 0.21 2.98 8.25 -1.26 -4.89 115.22 125.05 3cmr n HIS 276 Ca 0.19 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.70 3cmr n HIS 276 Cb 0.34 -3.64 0.46 0.00 1.12 0.00 0.00 29.99 28.27 3cmr n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3cmr h GLY 277 N 0.00 0.00 2.00 -1.41 0.00 -1.29 0.39 103.07 102.76 3cmr h GLY 277 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3cmr h GLY 277 CO 0.52 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.22 3cmr n ASN 278 N -4.12 0.75 -0.09 0.19 6.94 -1.25 -2.46 115.26 115.23 3cmr n ASN 278 Ca -0.02 0.61 -0.11 0.00 -0.02 0.00 0.00 54.58 55.04 3cmr n ASN 278 Cb 0.33 -0.80 -0.11 0.00 -2.36 0.00 0.00 39.78 36.84 3cmr n ASN 278 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3cmr n ILE 279 N -2.25 1.14 0.11 1.53 5.41 -0.22 -4.71 119.36 120.37 3cmr n ILE 279 Ca 0.04 -0.57 0.09 0.00 1.00 0.00 0.00 62.75 63.31 3cmr n ILE 279 Cb 0.34 -0.89 -0.13 0.00 -0.71 0.00 0.00 39.64 38.25 3cmr n ILE 279 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3cmr n ASP 280 N -2.84 0.88 -4.32 4.38 8.00 -0.04 -4.96 116.55 117.65 3cmr n ASP 280 Ca -0.31 -0.13 -0.27 0.00 0.71 0.00 0.00 54.79 54.79 3cmr n ASP 280 Cb 0.96 1.70 -0.13 0.00 -0.02 0.00 0.00 41.12 43.63 3cmr n ASP 280 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3cmr s LYS 281 N -3.16 1.33 0.91 -1.24 1.02 -1.03 -5.05 119.74 112.52 3cmr s LYS 281 Ca -0.05 -1.19 -0.12 0.00 0.02 0.00 0.00 55.97 54.64 3cmr s LYS 281 Cb 0.12 -1.64 0.14 0.00 -0.52 0.00 0.00 37.83 35.92 3cmr s LYS 281 CO 0.74 0.39 1.09 -2.14 -0.92 0.00 0.00 175.35 174.52 3cmr s PRO 282 N -1.79 1.13 0.48 -1.68 0.02 -1.26 -4.66 135.00 127.24 3cmr s PRO 282 Ca 0.10 0.80 -0.24 0.00 0.02 0.00 0.00 61.00 61.68 3cmr s PRO 282 Cb -0.10 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 3cmr s PRO 282 CO 0.04 -2.33 1.33 0.00 -0.33 0.00 0.00 177.00 175.72 3cmr n ALA 283 N -3.94 1.56 -2.72 -1.55 0.00 -1.26 -4.72 120.51 107.88 3cmr n ALA 283 Ca 0.07 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 3cmr n ALA 283 Cb 0.55 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 3cmr n ALA 283 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cmr s VAL 284 N -1.24 4.39 -0.13 0.00 1.01 0.24 -4.84 120.40 119.82 3cmr s VAL 284 Ca 0.65 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3cmr s VAL 284 Cb -0.46 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 3cmr s VAL 284 CO 0.54 0.41 -0.17 -0.89 0.00 0.00 0.00 175.10 174.99 3cmr s THR 285 N -1.09 2.59 0.61 3.92 2.01 -1.26 -1.19 115.64 121.23 3cmr s THR 285 Ca 0.20 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 3cmr s THR 285 Cb -0.12 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 3cmr s THR 285 CO 0.10 0.53 1.19 0.00 -0.69 0.00 0.00 174.62 175.75 3cmr s THR 287 N -1.72 0.73 0.43 0.00 -4.23 -0.75 -4.98 115.64 105.12 3cmr s THR 287 Ca 0.76 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 59.03 3cmr s THR 287 Cb -0.29 -2.01 -0.08 0.00 1.34 0.00 0.00 72.50 71.46 3cmr s THR 287 CO 0.34 -0.58 1.31 -2.84 -0.54 0.00 0.00 174.62 172.31 3cmr s PRO 288 N -3.88 3.85 -0.30 3.99 0.02 -1.26 -0.02 135.00 137.41 3cmr s PRO 288 Ca 0.21 2.16 -0.28 0.00 0.02 0.00 0.00 61.00 63.10 3cmr s PRO 288 Cb 0.06 -2.67 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 3cmr s PRO 288 CO 0.02 -0.59 1.84 1.21 -0.33 0.00 0.00 177.00 179.15 3cmr s ASN 289 N -0.79 5.89 0.18 2.53 2.47 -0.01 -4.46 114.94 120.76 3cmr s ASN 289 Ca 0.59 1.44 0.26 0.00 0.42 0.00 0.00 52.86 55.57 3cmr s ASN 289 Cb -0.38 -2.52 0.89 0.00 -1.45 0.00 0.00 41.25 37.79 3cmr s ASN 289 CO 0.48 -1.68 1.79 -0.81 -3.72 0.00 0.00 177.10 173.16 3cmr n PRO 290 N 8.38 0.21 0.00 0.43 -0.04 -1.26 -2.13 135.00 140.59 3cmr n PRO 290 Ca 0.23 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 3cmr n PRO 290 Cb 0.46 -1.76 0.61 0.00 -0.04 0.00 0.00 33.50 32.78 3cmr n PRO 290 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3cmr n GLN 291 N -2.12 0.09 -2.81 0.54 6.02 -1.26 -4.83 117.38 113.00 3cmr n GLN 291 Ca 0.05 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 3cmr n GLN 291 Cb 0.39 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 3cmr n GLN 291 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3cmr s ARG 292 N -2.92 4.24 0.18 -1.09 3.52 -0.91 -5.02 118.95 116.95 3cmr s ARG 292 Ca 0.16 1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 56.56 3cmr s ARG 292 Cb 0.19 -3.63 -0.09 0.00 -1.56 0.00 0.00 34.95 29.87 3cmr s ARG 292 CO 0.53 -0.51 1.36 1.21 -0.81 0.00 0.00 175.30 177.08 3cmr s ASN 293 N 1.26 6.83 0.36 -2.12 3.84 -1.26 -4.91 114.94 118.93 3cmr s ASN 293 Ca 0.39 2.43 0.25 0.00 0.21 0.00 0.00 52.86 56.14 3cmr s ASN 293 Cb -0.16 -2.60 1.30 0.00 -0.55 0.00 0.00 41.25 39.24 3cmr s ASN 293 CO 0.08 -0.60 1.78 0.44 -2.79 0.00 0.00 177.10 176.01 3cmr h ASP 294 N 5.77 0.00 0.56 -4.21 3.45 -1.97 -2.12 116.42 117.89 3cmr h ASP 294 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3cmr h ASP 294 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3cmr h ASP 294 CO 0.80 0.00 0.00 -1.20 -1.57 0.00 0.00 179.24 177.27 3cmr n SER 295 N -2.39 0.00 -4.63 6.45 7.64 -1.26 -4.66 113.62 114.77 3cmr n SER 295 Ca -0.01 0.50 -0.43 0.00 1.01 0.00 0.00 58.87 59.94 3cmr n SER 295 Cb 0.09 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 3cmr n SER 295 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cmr s VAL 296 N -3.00 4.56 0.49 0.44 1.01 -0.80 -0.63 120.40 122.46 3cmr s VAL 296 Ca 0.08 1.64 -0.24 0.00 0.00 0.00 0.00 61.98 63.45 3cmr s VAL 296 Cb 0.11 -4.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 3cmr s VAL 296 CO 0.29 -0.44 1.42 -2.84 0.00 0.00 0.00 175.10 173.54 3cmr s PRO 297 N 3.53 3.47 0.76 2.72 0.02 -1.26 -4.91 135.00 139.32 3cmr s PRO 297 Ca 0.43 2.39 -0.09 0.00 0.02 0.00 0.00 61.00 63.75 3cmr s PRO 297 Cb -0.13 -2.51 0.08 0.00 0.02 0.00 0.00 34.50 31.96 3cmr s PRO 297 CO 0.15 -0.98 1.09 0.95 -0.33 0.00 0.00 177.00 177.87 3cmr s THR 298 N -1.22 2.16 0.19 0.99 -4.23 -1.26 -4.87 115.64 107.40 3cmr s THR 298 Ca 0.65 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 3cmr s THR 298 Cb -0.43 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 70.54 3cmr s THR 298 CO 0.54 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.65 3cmr h LEU 299 N -0.82 0.94 -0.88 4.79 5.85 -1.95 -1.53 115.31 121.71 3cmr h LEU 299 Ca -0.45 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 3cmr h LEU 299 Cb 1.31 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3cmr h LEU 299 CO 0.60 0.82 0.52 0.00 -0.34 0.00 0.00 178.44 180.04 3cmr h ALA 300 N 1.16 1.13 -0.39 1.25 0.00 -1.87 0.11 119.26 120.65 3cmr h ALA 300 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3cmr h ALA 300 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3cmr h ALA 300 CO -0.03 0.60 0.07 1.96 0.00 0.00 0.00 179.25 181.85 3cmr h GLN 301 N 1.22 0.64 -0.43 0.00 4.20 -1.86 0.40 115.11 119.28 3cmr h GLN 301 Ca 0.32 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3cmr h GLN 301 Cb -0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3cmr h GLN 301 CO -0.06 0.69 0.20 0.52 -0.67 0.00 0.00 178.83 179.51 3cmr h MET 302 N 0.49 0.62 -0.45 1.46 2.86 -1.18 -2.15 114.93 116.57 3cmr h MET 302 Ca 0.12 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3cmr h MET 302 Cb 0.35 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3cmr h MET 302 CO 0.01 0.55 0.17 1.15 1.06 0.00 0.00 176.91 179.84 3cmr h THR 303 N 0.55 0.88 -0.27 2.22 2.02 -0.55 -0.68 112.91 117.08 3cmr h THR 303 Ca 0.15 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.24 3cmr h THR 303 Cb 0.13 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3cmr h THR 303 CO -0.02 0.06 0.07 0.44 0.37 0.00 0.00 175.52 176.45 3cmr h ASP 304 N 0.35 0.05 -0.12 4.18 3.32 -0.76 0.13 116.42 123.56 3cmr h ASP 304 Ca 0.21 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3cmr h ASP 304 Cb 0.19 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3cmr h ASP 304 CO -0.20 0.06 -0.40 0.50 -1.72 0.00 0.00 179.24 177.48 3cmr h LYS 305 N 0.18 0.65 -0.11 3.56 1.63 -1.11 -1.35 116.57 120.01 3cmr h LYS 305 Ca 0.12 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 3cmr h LYS 305 Cb 0.11 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3cmr h LYS 305 CO -0.15 0.93 0.03 0.00 -3.45 0.00 0.00 179.45 176.82 3cmr h ALA 306 N 1.03 0.14 -0.26 5.00 0.00 -0.46 -1.61 119.26 123.10 3cmr h ALA 306 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3cmr h ALA 306 Cb 0.92 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3cmr h ALA 306 CO 0.08 -0.25 0.07 0.82 0.00 0.00 0.00 179.25 179.97 3cmr h ILE 307 N -0.01 0.90 -0.39 0.00 2.04 -0.64 0.17 117.51 119.58 3cmr h ILE 307 Ca 0.03 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3cmr h ILE 307 Cb 0.22 0.71 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 3cmr h ILE 307 CO -0.00 0.03 -0.24 -0.08 0.00 0.00 0.00 178.15 177.86 3cmr h GLU 308 N 0.17 -0.17 -0.28 2.37 4.81 -0.99 -0.99 114.58 119.51 3cmr h GLU 308 Ca 0.12 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.17 3cmr h GLU 308 Cb 0.10 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3cmr h GLU 308 CO -0.14 -0.11 -0.55 -0.07 -0.73 0.00 0.00 179.01 177.41 3cmr h LEU 309 N -0.18 0.96 -0.31 1.64 3.38 -0.77 -3.30 115.31 116.74 3cmr h LEU 309 Ca 0.19 -0.54 -0.20 0.00 0.09 0.00 0.00 57.88 57.42 3cmr h LEU 309 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3cmr h LEU 309 CO -0.49 1.32 -0.84 -0.07 0.09 0.00 0.00 178.44 178.45 3cmr h LEU 310 N 0.64 0.35 -0.18 1.67 3.38 -0.45 -3.20 115.31 117.53 3cmr h LEU 310 Ca 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3cmr h LEU 310 Cb 1.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3cmr h LEU 310 CO 0.12 1.05 0.00 -1.54 0.09 0.00 0.00 178.44 178.16 3cmr n SER 311 N -3.73 0.15 0.26 -0.43 3.41 -0.39 -1.57 113.62 111.32 3cmr n SER 311 Ca -0.04 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 3cmr n SER 311 Cb 0.78 -0.57 0.68 0.00 -0.26 0.00 0.00 64.21 64.84 3cmr n SER 311 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3cmr h LYS 312 N 0.00 0.00 -6.39 4.33 1.79 -1.67 -3.43 116.57 111.21 3cmr h LYS 312 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 3cmr h LYS 312 Cb 0.24 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3cmr h LYS 312 CO 0.00 0.12 0.78 1.21 -1.08 0.00 0.00 179.45 180.48 3cmr s ASN 313 N -6.01 6.90 0.41 0.86 3.84 -0.61 -4.90 114.94 115.44 3cmr s ASN 313 Ca -0.01 2.07 0.16 0.00 0.21 0.00 0.00 52.86 55.29 3cmr s ASN 313 Cb 0.12 -2.56 0.90 0.00 -0.55 0.00 0.00 41.25 39.15 3cmr s ASN 313 CO 0.58 -0.67 1.89 -0.08 -2.79 0.00 0.00 177.10 176.03 3cmr h GLU 314 N 7.59 0.00 0.00 0.43 4.81 -1.89 -3.17 114.58 122.34 3cmr h GLU 314 Ca -0.38 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.66 3cmr h GLU 314 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3cmr h GLU 314 CO 0.89 0.29 -0.93 -0.22 -0.73 0.00 0.00 179.01 178.30 3cmr h LYS 315 N 0.00 0.00 0.00 1.92 3.64 -1.90 -3.50 116.57 116.73 3cmr h LYS 315 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cmr h LYS 315 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3cmr h LYS 315 CO 0.04 0.93 0.00 0.41 -2.27 0.00 0.00 179.45 178.56 3cmr n GLY 316 N 1.24 1.77 3.08 5.01 0.00 -1.20 -4.90 105.19 110.19 3cmr n GLY 316 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 3cmr n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cmr s PHE 317 N -1.39 0.29 -0.18 1.61 -0.12 -1.20 -1.58 117.98 115.41 3cmr s PHE 317 Ca 0.00 -0.64 -0.04 0.00 -0.05 0.00 0.00 56.93 56.20 3cmr s PHE 317 Cb 0.00 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.15 3cmr s PHE 317 CO 0.00 -0.33 -0.03 0.12 -0.05 0.00 0.00 175.22 174.93 3cmr s PHE 318 N -2.64 3.01 -0.09 3.49 5.36 -0.06 -1.32 117.98 125.74 3cmr s PHE 318 Ca -0.05 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 3cmr s PHE 318 Cb -0.01 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.68 3cmr s PHE 318 CO -0.05 -0.18 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.28 3cmr s LEU 319 N 0.71 1.31 -0.13 6.12 2.96 -0.04 -0.74 118.68 128.88 3cmr s LEU 319 Ca -0.02 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3cmr s LEU 319 Cb -0.14 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 3cmr s LEU 319 CO 0.02 -0.07 0.04 -1.58 -1.32 0.00 0.00 176.35 173.45 3cmr s GLN 320 N 1.28 3.42 -0.11 1.98 0.74 -0.63 -0.67 119.66 125.67 3cmr s GLN 320 Ca -0.04 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.03 3cmr s GLN 320 Cb -0.14 -3.00 0.02 0.00 1.10 0.00 0.00 33.01 30.99 3cmr s GLN 320 CO -0.03 0.56 -0.09 0.08 -0.55 0.00 0.00 175.29 175.26 3cmr s VAL 321 N -0.45 1.07 -0.19 1.34 1.01 0.33 -1.05 120.40 122.47 3cmr s VAL 321 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3cmr s VAL 321 Cb -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3cmr s VAL 321 CO 0.02 0.37 -0.18 -0.70 0.00 0.00 0.00 175.10 174.61 3cmr s GLU 322 N 1.50 3.04 -1.09 2.72 2.12 -0.15 -0.96 118.70 125.88 3cmr s GLU 322 Ca 0.01 -0.80 -0.21 0.00 0.36 0.00 0.00 54.97 54.33 3cmr s GLU 322 Cb -0.13 -2.63 0.07 0.00 0.26 0.00 0.00 34.13 31.70 3cmr s GLU 322 CO -0.06 -0.21 1.49 0.20 -0.54 0.00 0.00 175.26 176.13 3cmr s GLY 323 N 1.31 1.52 0.24 -1.50 0.00 0.08 -2.12 107.32 106.85 3cmr s GLY 323 Ca 0.05 -2.57 0.13 0.00 0.00 0.00 0.00 44.72 42.33 3cmr s GLY 323 CO -0.12 2.58 1.41 0.00 0.00 0.00 0.00 173.10 176.97 3cmr h ALA 324 N 8.92 0.60 -0.04 3.20 0.00 -1.91 -1.33 119.26 128.70 3cmr h ALA 324 Ca 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3cmr h ALA 324 Cb 0.97 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3cmr h ALA 324 CO 1.39 0.78 0.00 0.43 0.00 0.00 0.00 179.25 181.85 3cmr n SER 325 N -3.27 1.92 0.11 0.00 7.64 -1.26 -3.46 113.62 115.31 3cmr n SER 325 Ca 0.01 -1.65 -0.13 0.00 1.01 0.00 0.00 58.87 58.12 3cmr n SER 325 Cb 0.78 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 3cmr n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3cmr h ILE 326 N 2.98 0.33 -0.61 0.44 2.04 -1.76 -0.44 117.51 120.49 3cmr h ILE 326 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3cmr h ILE 326 Cb 0.63 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3cmr h ILE 326 CO 0.00 0.00 0.24 -0.78 0.00 0.00 0.00 178.15 177.61 3cmr h ASP 327 N -0.54 0.26 -0.01 1.72 3.58 -0.62 -0.90 116.42 119.92 3cmr h ASP 327 Ca 0.03 0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.41 3cmr h ASP 327 Cb 0.57 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 3cmr h ASP 327 CO -0.18 0.16 -0.46 0.11 -2.88 0.00 0.00 179.24 175.98 3cmr h LYS 328 N 0.44 0.55 0.01 0.28 1.57 -1.57 -0.67 116.57 117.18 3cmr h LYS 328 Ca 0.30 -0.31 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 3cmr h LYS 328 Cb 0.35 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3cmr h LYS 328 CO -0.29 0.90 -1.04 1.96 -0.57 0.00 0.00 179.45 180.41 3cmr h GLN 329 N 0.45 0.03 -0.20 3.15 1.08 -0.96 -2.41 115.11 116.24 3cmr h GLN 329 Ca 0.03 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3cmr h GLN 329 Cb 0.98 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 3cmr h GLN 329 CO 0.09 1.01 0.09 0.22 -0.95 0.00 0.00 178.83 179.28 3cmr h ASP 330 N 0.01 0.27 -0.84 1.46 1.82 -0.95 -1.44 116.42 116.75 3cmr h ASP 330 Ca -0.03 -0.15 0.10 0.00 -0.39 0.00 0.00 57.03 56.57 3cmr h ASP 330 Cb 1.80 -0.07 -0.06 0.00 0.68 0.00 0.00 39.33 41.68 3cmr h ASP 330 CO 0.14 0.34 0.55 0.45 -1.61 0.00 0.00 179.24 179.11 3cmr h HIS 331 N 0.19 0.86 -0.03 0.28 3.86 -1.01 -1.03 115.15 118.27 3cmr h HIS 331 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3cmr h HIS 331 Cb 0.15 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3cmr h HIS 331 CO -0.02 0.39 0.00 0.00 0.86 0.00 0.00 177.93 179.16 3cmr n ALA 332 N -2.43 2.62 -3.69 2.45 0.00 -0.92 -0.91 120.51 117.63 3cmr n ALA 332 Ca 0.14 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3cmr n ALA 332 Cb 0.33 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.51 3cmr n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cmr n ALA 333 N -0.46 -1.86 -3.90 0.00 0.00 -0.39 -4.71 120.51 109.19 3cmr n ALA 333 Ca 0.19 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3cmr n ALA 333 Cb 0.19 -2.63 -0.14 0.00 0.00 0.00 0.00 19.45 16.88 3cmr n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3cmr s ASN 334 N -4.14 4.19 0.23 0.00 3.84 -0.62 -0.21 114.94 118.24 3cmr s ASN 334 Ca 0.14 -2.83 -0.06 0.00 0.21 0.00 0.00 52.86 50.33 3cmr s ASN 334 Cb -0.07 -1.49 0.38 0.00 -0.55 0.00 0.00 41.25 39.53 3cmr s ASN 334 CO 0.80 -0.25 1.77 -0.65 -2.79 0.00 0.00 177.10 175.97 3cmr h PRO 335 N 6.67 0.57 -0.64 0.43 0.11 -1.84 -1.21 132.00 136.10 3cmr h PRO 335 Ca -0.06 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 3cmr h PRO 335 Cb 0.91 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 3cmr h PRO 335 CO 0.62 0.38 0.09 0.00 -0.21 0.00 0.00 178.00 178.88 3cmr h GLY 337 N 0.99 0.72 0.88 0.00 0.00 -1.63 0.51 103.07 104.54 3cmr h GLY 337 Ca 0.19 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3cmr h GLY 337 CO 0.02 0.47 -0.15 -1.61 0.00 0.00 0.00 176.54 175.27 3cmr h GLN 338 N 0.50 -0.40 -0.47 4.80 4.15 -0.96 -2.05 115.11 120.68 3cmr h GLN 338 Ca 0.11 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3cmr h GLN 338 Cb 0.44 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 3cmr h GLN 338 CO 0.02 -0.18 0.22 0.82 -1.93 0.00 0.00 178.83 177.78 3cmr h ILE 339 N -0.54 1.19 -0.94 2.39 2.04 -0.85 -2.57 117.51 118.23 3cmr h ILE 339 Ca -0.04 -0.53 0.13 0.00 1.00 0.00 0.00 64.86 65.43 3cmr h ILE 339 Cb 0.40 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 3cmr h ILE 339 CO 0.07 0.20 0.55 1.23 0.00 0.00 0.00 178.15 180.21 3cmr h GLY 340 N 0.61 1.54 2.00 5.37 0.00 -0.81 -0.17 103.07 111.62 3cmr h GLY 340 Ca 0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3cmr h GLY 340 CO -0.02 0.07 -0.21 0.83 0.00 0.00 0.00 176.54 177.21 3cmr h GLU 341 N 0.83 0.00 0.04 4.80 4.39 -1.25 -0.58 114.58 122.82 3cmr h GLU 341 Ca 0.49 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.06 3cmr h GLU 341 Cb 0.57 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3cmr h GLU 341 CO -0.30 0.21 -0.50 1.15 -1.16 0.00 0.00 179.01 178.41 3cmr h THR 342 N 0.00 1.53 -0.77 1.13 2.02 -0.74 -2.04 112.91 114.04 3cmr h THR 342 Ca -0.00 -2.22 0.15 0.00 0.77 0.00 0.00 66.41 65.11 3cmr h THR 342 Cb 0.75 2.93 -0.10 0.00 -1.74 0.00 0.00 68.15 69.99 3cmr h THR 342 CO 0.03 0.62 0.32 0.58 0.37 0.00 0.00 175.52 177.44 3cmr h VAL 343 N -0.40 0.66 -0.45 3.16 2.07 -1.04 -1.37 116.25 118.88 3cmr h VAL 343 Ca -0.08 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.32 3cmr h VAL 343 Cb 1.30 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3cmr h VAL 343 CO 0.10 0.09 0.22 -0.78 0.02 0.00 0.00 177.57 177.21 3cmr h ASP 344 N 0.47 0.31 -0.42 0.57 3.58 -1.05 -2.23 116.42 117.64 3cmr h ASP 344 Ca 0.43 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 3cmr h ASP 344 Cb 0.65 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 3cmr h ASP 344 CO -0.40 0.22 0.23 0.25 -2.88 0.00 0.00 179.24 176.66 3cmr h LEU 345 N 0.44 0.52 -1.28 2.28 5.85 -0.98 -2.55 115.31 119.59 3cmr h LEU 345 Ca 0.20 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3cmr h LEU 345 Cb 0.11 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3cmr h LEU 345 CO -0.14 0.46 0.54 -0.78 -0.34 0.00 0.00 178.44 178.18 3cmr h ASP 346 N 0.54 0.74 -0.66 1.25 3.58 -0.93 0.17 116.42 121.11 3cmr h ASP 346 Ca 0.15 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 3cmr h ASP 346 Cb 0.06 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3cmr h ASP 346 CO -0.02 0.45 0.28 -0.33 -2.88 0.00 0.00 179.24 176.74 3cmr h GLU 347 N 0.83 0.98 -0.51 0.28 5.08 -1.01 -0.93 114.58 119.30 3cmr h GLU 347 Ca 0.37 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3cmr h GLU 347 Cb 0.35 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3cmr h GLU 347 CO -0.14 0.81 0.08 0.00 -1.00 0.00 0.00 179.01 178.75 3cmr h ALA 348 N 1.12 0.67 -0.53 3.43 0.00 -0.79 -2.64 119.26 120.52 3cmr h ALA 348 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cmr h ALA 348 Cb 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3cmr h ALA 348 CO -0.02 0.41 0.33 0.28 0.00 0.00 0.00 179.25 180.25 3cmr h VAL 349 N 0.72 1.15 -0.75 0.00 2.07 -0.55 -1.78 116.25 117.11 3cmr h VAL 349 Ca 0.15 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.47 3cmr h VAL 349 Cb 0.40 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 3cmr h VAL 349 CO 0.01 0.15 0.37 1.56 0.02 0.00 0.00 177.57 179.68 3cmr h GLN 350 N 0.71 0.58 -0.59 1.57 4.20 -1.02 0.84 115.11 121.39 3cmr h GLN 350 Ca 0.19 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3cmr h GLN 350 Cb -0.04 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 3cmr h GLN 350 CO -0.04 0.38 0.37 0.00 -0.67 0.00 0.00 178.83 178.87 3cmr h ARG 351 N 0.59 0.71 -0.20 1.46 2.47 -1.08 0.00 114.38 118.33 3cmr h ARG 351 Ca 0.39 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.06 3cmr h ARG 351 Cb 0.47 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 3cmr h ARG 351 CO -0.31 0.47 0.11 0.00 0.56 0.00 0.00 179.97 180.80 3cmr h ALA 352 N 1.25 0.26 -0.27 0.04 0.00 -0.38 -1.99 119.26 118.16 3cmr h ALA 352 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3cmr h ALA 352 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3cmr h ALA 352 CO -0.09 -0.22 -0.05 -0.07 0.00 0.00 0.00 179.25 178.82 3cmr h LEU 353 N 0.23 0.52 -0.66 0.00 4.07 -0.66 -1.24 115.31 117.57 3cmr h LEU 353 Ca 0.07 -0.36 0.13 0.00 0.08 0.00 0.00 57.88 57.80 3cmr h LEU 353 Cb 0.05 -0.14 -0.09 0.00 1.08 0.00 0.00 40.66 41.56 3cmr h LEU 353 CO -0.01 0.76 0.18 -0.33 -1.08 0.00 0.00 178.44 177.96 3cmr h GLU 354 N 0.28 0.30 -0.20 1.13 5.08 -0.96 0.07 114.58 120.29 3cmr h GLU 354 Ca 0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3cmr h GLU 354 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3cmr h GLU 354 CO 0.02 0.20 0.01 0.35 -1.00 0.00 0.00 179.01 178.60 3cmr h PHE 355 N 0.31 0.37 -0.44 4.33 3.57 -1.12 -3.10 116.94 120.87 3cmr h PHE 355 Ca 0.36 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3cmr h PHE 355 Cb 0.55 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3cmr h PHE 355 CO -0.23 0.52 0.06 0.00 -2.23 0.00 0.00 178.31 176.42 3cmr h ALA 356 N 0.81 1.28 -0.64 2.41 0.00 -0.72 -0.03 119.26 122.37 3cmr h ALA 356 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3cmr h ALA 356 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3cmr h ALA 356 CO 0.01 0.49 0.08 0.87 0.00 0.00 0.00 179.25 180.70 3cmr h LYS 357 N 0.65 1.08 -0.02 0.00 1.57 -0.99 -0.02 116.57 118.85 3cmr h LYS 357 Ca 0.14 -0.30 -0.26 0.00 -1.87 0.00 0.00 60.65 58.36 3cmr h LYS 357 Cb 0.32 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.53 3cmr h LYS 357 CO 0.01 1.01 -1.01 0.87 -0.57 0.00 0.00 179.45 179.76 3cmr h LYS 358 N 1.00 0.69 0.14 3.15 1.57 -1.43 -3.36 116.57 118.32 3cmr h LYS 358 Ca 0.19 -0.72 -0.30 0.00 -1.87 0.00 0.00 60.65 57.95 3cmr h LYS 358 Cb 0.46 0.20 0.03 0.00 0.08 0.00 0.00 32.23 33.00 3cmr h LYS 358 CO 0.02 1.30 -1.28 1.49 -0.57 0.00 0.00 179.45 180.41 3cmr h GLU 359 N 0.40 0.60 0.00 3.15 4.22 -0.93 -3.48 114.58 118.55 3cmr h GLU 359 Ca -0.12 -0.84 0.00 0.00 0.08 0.00 0.00 59.36 58.49 3cmr h GLU 359 Cb 1.65 0.28 0.00 0.00 0.50 0.00 0.00 28.75 31.19 3cmr h GLU 359 CO 0.20 1.38 0.00 0.41 -2.18 0.00 0.00 179.01 178.82 3cmr n GLY 360 N 1.42 2.40 1.17 1.92 0.00 -0.03 -4.80 105.19 107.27 3cmr n GLY 360 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 3cmr n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cmr n ASN 361 N 0.00 2.23 -4.18 1.61 3.02 -1.26 -4.84 115.26 111.84 3cmr n ASN 361 Ca 0.00 -3.44 -0.32 0.00 -0.03 0.00 0.00 54.58 50.79 3cmr n ASN 361 Cb 0.00 -0.45 -0.17 0.00 -0.61 0.00 0.00 39.78 38.55 3cmr n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cmr s THR 362 N -3.00 2.08 -0.26 3.41 2.01 -1.26 0.04 115.64 118.66 3cmr s THR 362 Ca 0.39 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 3cmr s THR 362 Cb 0.38 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3cmr s THR 362 CO -0.06 0.55 0.49 -0.22 -0.69 0.00 0.00 174.62 174.69 3cmr s LEU 363 N 0.74 4.05 -0.16 4.42 2.96 -0.54 -4.34 118.68 125.81 3cmr s LEU 363 Ca -0.09 0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 54.25 3cmr s LEU 363 Cb -0.16 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 3cmr s LEU 363 CO -0.00 -0.27 0.01 -0.69 -1.32 0.00 0.00 176.35 174.08 3cmr s VAL 364 N 2.26 4.35 -0.10 1.68 1.01 0.68 -1.34 120.40 128.94 3cmr s VAL 364 Ca 0.20 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3cmr s VAL 364 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3cmr s VAL 364 CO 0.09 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 3cmr s ILE 365 N 0.22 1.64 -0.19 2.22 1.01 -0.37 -0.90 121.20 124.83 3cmr s ILE 365 Ca 0.01 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3cmr s ILE 365 Cb -0.13 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.90 3cmr s ILE 365 CO 0.02 0.47 -0.19 -0.69 0.00 0.00 0.00 174.94 174.55 3cmr s VAL 366 N 0.66 2.06 0.00 2.92 1.01 -0.13 0.08 120.40 127.00 3cmr s VAL 366 Ca -0.13 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.83 3cmr s VAL 366 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3cmr s VAL 366 CO 0.03 0.47 0.00 1.07 0.00 0.00 0.00 175.10 176.67 3cmr n THR 367 N 4.60 0.00 -4.22 3.92 5.66 -0.87 -0.95 114.28 122.42 3cmr n THR 367 Ca -0.20 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.66 3cmr n THR 367 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 3cmr n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3cmr s ALA 368 N -1.42 1.33 0.22 1.79 0.00 -1.26 -1.12 121.76 121.30 3cmr s ALA 368 Ca 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 50.65 3cmr s ALA 368 Cb 0.00 0.04 0.18 0.00 0.00 0.00 0.00 23.12 23.34 3cmr s ALA 368 CO 0.00 -0.07 1.51 0.38 0.00 0.00 0.00 175.76 177.58 3cmr h ASP 369 N 3.09 0.13 -5.58 0.00 2.03 -1.93 -3.48 116.42 110.68 3cmr h ASP 369 Ca -0.37 -0.09 0.27 0.00 -0.73 0.00 0.00 57.03 56.11 3cmr h ASP 369 Cb 1.19 -0.04 -0.11 0.00 -0.83 0.00 0.00 39.33 39.55 3cmr h ASP 369 CO 0.59 0.80 0.69 -1.38 -1.03 0.00 0.00 179.24 178.91 3cmr s HIS 370 N -3.45 -0.08 0.89 4.15 -3.43 -1.26 -4.83 115.29 107.28 3cmr s HIS 370 Ca -0.02 -0.10 -0.10 0.00 -0.80 0.00 0.00 55.06 54.04 3cmr s HIS 370 Cb 0.12 0.58 0.19 0.00 -1.43 0.00 0.00 32.58 32.04 3cmr s HIS 370 CO 0.79 -0.49 1.22 0.00 -2.00 0.00 0.00 174.74 174.26 3cmr s ALA 371 N -2.76 2.81 0.00 -1.38 0.00 -1.14 -3.59 121.76 115.69 3cmr s ALA 371 Ca 0.13 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3cmr s ALA 371 Cb 0.02 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3cmr s ALA 371 CO -0.02 -2.19 0.00 1.58 0.00 0.00 0.00 175.76 175.14 3cmr n HIS 372 N -3.47 -0.04 0.10 0.00 -0.00 -1.26 -2.35 115.22 108.20 3cmr n HIS 372 Ca 0.17 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.12 3cmr n HIS 372 Cb 0.60 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.32 3cmr n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3cmr h ALA 373 N 1.18 0.04 -2.78 1.57 0.00 -1.87 -3.37 119.26 114.04 3cmr h ALA 373 Ca 0.00 -1.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.37 3cmr h ALA 373 Cb 0.00 0.30 0.07 0.00 0.00 0.00 0.00 17.79 18.16 3cmr h ALA 373 CO 0.00 0.91 0.78 -1.54 0.00 0.00 0.00 179.25 179.40 3cmr s SER 374 N -7.36 6.57 0.03 0.00 1.04 -1.26 -4.61 113.70 108.12 3cmr s SER 374 Ca -0.12 2.76 0.05 0.00 0.48 0.00 0.00 55.95 59.12 3cmr s SER 374 Cb 0.05 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 3cmr s SER 374 CO 0.89 -0.75 -0.14 -1.10 0.98 0.00 0.00 173.24 173.12 3cmr s GLN 375 N -0.60 0.94 -0.18 4.02 -0.21 -0.74 -4.69 119.66 118.20 3cmr s GLN 375 Ca 0.59 -0.73 -0.17 0.00 0.02 0.00 0.00 55.36 55.07 3cmr s GLN 375 Cb -0.43 -0.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.60 3cmr s GLN 375 CO 0.46 0.23 0.47 0.42 -2.12 0.00 0.00 175.29 174.75 3cmr s ILE 376 N -0.80 5.16 0.15 1.08 1.01 -1.26 -0.33 121.20 126.20 3cmr s ILE 376 Ca 0.02 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.57 3cmr s ILE 376 Cb -0.08 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3cmr s ILE 376 CO 0.01 0.24 -0.06 0.68 0.00 0.00 0.00 174.94 175.81 3cmr s VAL 377 N 1.28 0.93 0.34 2.92 -7.23 -0.28 -4.99 120.40 113.37 3cmr s VAL 377 Ca 0.23 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 3cmr s VAL 377 Cb -0.15 -1.91 -0.12 0.00 0.56 0.00 0.00 36.38 34.76 3cmr s VAL 377 CO 0.09 -0.68 1.37 0.00 -0.31 0.00 0.00 175.10 175.57 3cmr n ALA 378 N -0.19 1.64 0.03 1.32 0.00 -1.26 -3.73 120.51 118.32 3cmr n ALA 378 Ca -0.09 0.36 0.20 0.00 0.00 0.00 0.00 53.44 53.91 3cmr n ALA 378 Cb 0.62 -2.31 0.71 0.00 0.00 0.00 0.00 19.45 18.46 3cmr n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3cmr h PRO 379 N 2.95 0.00 -0.56 0.00 0.11 -1.92 -1.26 132.00 131.32 3cmr h PRO 379 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cmr h PRO 379 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3cmr h PRO 379 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3cmr n ASP 380 N -4.24 5.62 -4.73 -2.05 8.00 -1.26 -4.87 116.55 113.01 3cmr n ASP 380 Ca 0.09 -2.93 -0.42 0.00 0.71 0.00 0.00 54.79 52.23 3cmr n ASP 380 Cb 0.58 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 3cmr n ASP 380 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3cmr n THR 381 N 0.56 1.43 -3.80 -3.53 -1.04 -0.48 -4.99 114.28 102.43 3cmr n THR 381 Ca 0.27 -0.36 -0.37 0.00 -2.04 0.00 0.00 64.05 61.56 3cmr n THR 381 Cb 1.18 -1.79 -0.12 0.00 -1.82 0.00 0.00 70.33 67.77 3cmr n THR 381 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3cmr s LYS 382 N -1.12 2.39 0.22 -2.82 1.02 -1.26 -4.86 119.74 113.31 3cmr s LYS 382 Ca 0.61 -1.40 0.10 0.00 0.02 0.00 0.00 55.97 55.30 3cmr s LYS 382 Cb -0.54 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3cmr s LYS 382 CO 0.55 -0.78 -0.13 0.00 -0.92 0.00 0.00 175.35 174.07 3cmr s ALA 383 N 1.28 2.87 -0.99 5.17 0.00 -1.26 -5.05 121.76 123.79 3cmr s ALA 383 Ca -0.00 -1.63 0.27 0.00 0.00 0.00 0.00 51.96 50.61 3cmr s ALA 383 Cb -0.21 -0.57 0.91 0.00 0.00 0.00 0.00 23.12 23.26 3cmr s ALA 383 CO -0.00 0.38 1.70 -0.35 0.00 0.00 0.00 175.76 177.49 3cmr n PRO 384 N -0.24 0.01 0.00 0.00 -0.04 -1.26 -4.53 135.00 128.94 3cmr n PRO 384 Ca -0.09 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3cmr n PRO 384 Cb 0.57 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3cmr n PRO 384 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cmr n GLY 385 N 1.49 1.84 3.42 0.55 0.00 -1.26 -4.99 105.19 106.24 3cmr n GLY 385 Ca 0.06 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3cmr n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cmr s LEU 386 N 0.00 2.89 0.16 0.99 1.43 0.11 -3.93 118.68 120.33 3cmr s LEU 386 Ca 0.00 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3cmr s LEU 386 Cb 0.00 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3cmr s LEU 386 CO 0.00 0.18 -0.01 0.42 0.23 0.00 0.00 176.35 177.16 3cmr s THR 387 N 0.29 0.71 -0.21 5.49 -4.23 0.43 -0.03 115.64 118.09 3cmr s THR 387 Ca -0.08 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.23 3cmr s THR 387 Cb -0.15 -2.05 0.06 0.00 1.34 0.00 0.00 72.50 71.70 3cmr s THR 387 CO 0.05 -0.54 0.62 -1.58 -0.54 0.00 0.00 174.62 172.62 3cmr s GLN 388 N -3.89 0.75 -0.14 3.99 0.74 -0.47 -2.10 119.66 118.54 3cmr s GLN 388 Ca 0.22 0.77 -0.13 0.00 0.05 0.00 0.00 55.36 56.27 3cmr s GLN 388 Cb 0.06 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.49 3cmr s GLN 388 CO 0.03 -0.11 0.27 0.00 -0.55 0.00 0.00 175.29 174.93 3cmr s ALA 389 N 0.13 3.64 -0.01 1.58 0.00 -1.26 -1.20 121.76 124.64 3cmr s ALA 389 Ca -0.02 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.56 3cmr s ALA 389 Cb -0.04 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3cmr s ALA 389 CO 0.02 0.19 -0.26 -0.51 0.00 0.00 0.00 175.76 175.20 3cmr s LEU 390 N 0.15 2.07 -0.42 0.00 1.43 0.10 -0.59 118.68 121.42 3cmr s LEU 390 Ca 0.16 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 3cmr s LEU 390 Cb -0.13 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.78 3cmr s LEU 390 CO 0.04 0.31 0.84 0.20 0.23 0.00 0.00 176.35 177.97 3cmr s ASN 391 N -0.72 6.50 0.71 2.29 0.01 -0.33 -0.58 114.94 122.83 3cmr s ASN 391 Ca 0.10 0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.36 3cmr s ASN 391 Cb -0.10 -2.42 0.09 0.00 0.41 0.00 0.00 41.25 39.23 3cmr s ASN 391 CO -0.00 -0.90 1.01 0.42 -1.51 0.00 0.00 177.10 176.12 3cmr s THR 392 N 3.39 2.28 0.54 1.60 -4.23 -0.51 -4.83 115.64 113.88 3cmr s THR 392 Ca 0.33 -0.37 0.23 0.00 -1.18 0.00 0.00 61.69 60.70 3cmr s THR 392 Cb -0.12 -2.91 0.35 0.00 1.34 0.00 0.00 72.50 71.16 3cmr s THR 392 CO 0.22 0.00 2.07 0.50 -0.54 0.00 0.00 174.62 176.87 3cmr h LYS 393 N -0.60 0.00 0.00 3.99 3.64 -1.36 -1.64 116.57 120.61 3cmr h LYS 393 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3cmr h LYS 393 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3cmr h LYS 393 CO 0.52 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 177.26 3cmr h ASP 394 N 0.00 0.00 -0.01 4.20 3.32 -1.85 -3.47 116.42 118.61 3cmr h ASP 394 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3cmr h ASP 394 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3cmr h ASP 394 CO -0.00 0.00 -0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3cmr n GLY 395 N -0.59 0.37 3.28 2.75 0.00 -0.61 -5.07 105.19 105.32 3cmr n GLY 395 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 3cmr n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cmr s ALA 396 N -2.00 1.57 -0.11 4.61 0.00 -1.26 -4.94 121.76 119.62 3cmr s ALA 396 Ca 0.00 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.12 3cmr s ALA 396 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 3cmr s ALA 396 CO 0.00 -0.21 0.61 0.08 0.00 0.00 0.00 175.76 176.24 3cmr s VAL 397 N -3.45 5.09 -0.09 0.00 1.01 -1.26 -1.42 120.40 120.28 3cmr s VAL 397 Ca 0.23 1.23 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 3cmr s VAL 397 Cb 0.05 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3cmr s VAL 397 CO 0.05 0.25 -0.00 -0.32 0.00 0.00 0.00 175.10 175.08 3cmr s MET 398 N 0.93 3.03 -0.12 2.72 0.00 0.25 -4.84 119.30 121.27 3cmr s MET 398 Ca 0.32 -0.42 -0.01 0.00 0.00 0.00 0.00 55.69 55.58 3cmr s MET 398 Cb -0.16 -2.80 -0.02 0.00 0.00 0.00 0.00 34.83 31.84 3cmr s MET 398 CO 0.14 0.67 -0.09 0.08 0.00 0.00 0.00 175.02 175.82 3cmr s VAL 399 N -0.79 3.46 0.05 10.11 1.01 -1.24 0.00 120.40 133.00 3cmr s VAL 399 Ca 0.12 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3cmr s VAL 399 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3cmr s VAL 399 CO 0.02 0.53 -0.01 -0.04 0.00 0.00 0.00 175.10 175.60 3cmr s MET 400 N 0.08 2.63 -0.00 2.72 -1.94 -0.34 -1.13 119.30 121.31 3cmr s MET 400 Ca -0.03 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 3cmr s MET 400 Cb -0.14 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.11 3cmr s MET 400 CO 0.04 0.58 -0.13 0.45 -0.01 0.00 0.00 175.02 175.94 3cmr s SER 401 N -1.92 1.52 -0.30 3.03 0.15 0.55 -1.37 113.70 115.35 3cmr s SER 401 Ca 0.22 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.61 3cmr s SER 401 Cb -0.12 -0.16 0.09 0.00 -1.71 0.00 0.00 66.02 64.13 3cmr s SER 401 CO 0.14 0.14 0.07 -0.31 1.20 0.00 0.00 173.24 174.47 3cmr s TYR 402 N -0.38 2.24 -0.06 3.44 1.51 0.95 -1.80 117.35 123.25 3cmr s TYR 402 Ca 0.04 -2.00 0.09 0.00 -1.01 0.00 0.00 57.07 54.20 3cmr s TYR 402 Cb -0.05 -1.95 0.13 0.00 -0.11 0.00 0.00 41.96 39.98 3cmr s TYR 402 CO -0.00 -0.87 1.03 0.41 -1.11 0.00 0.00 175.55 175.00 3cmr n GLY 403 N 4.70 2.49 0.39 0.71 0.00 -1.26 -0.71 105.19 111.50 3cmr n GLY 403 Ca -0.02 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.52 3cmr n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cmr n ASN 404 N -0.71 2.08 -3.80 1.61 0.23 -1.26 -4.85 115.26 108.55 3cmr n ASN 404 Ca 0.07 -1.60 -0.13 0.00 -0.53 0.00 0.00 54.58 52.40 3cmr n ASN 404 Cb 0.61 -0.07 -0.12 0.00 -2.08 0.00 0.00 39.78 38.11 3cmr n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3cmr s SER 405 N -0.81 -0.19 0.00 0.53 0.15 -1.26 -4.70 113.70 107.42 3cmr s SER 405 Ca 0.13 0.38 0.27 0.00 0.70 0.00 0.00 55.95 57.42 3cmr s SER 405 Cb 0.08 0.36 0.88 0.00 -1.71 0.00 0.00 66.02 65.63 3cmr s SER 405 CO 0.11 -0.08 1.65 -0.62 1.20 0.00 0.00 173.24 175.50 3cmr n GLU 406 N 3.16 0.44 -1.24 5.44 1.02 -1.26 -4.88 120.64 123.33 3cmr n GLU 406 Ca -0.14 -0.21 -0.09 0.00 -0.02 0.00 0.00 57.16 56.70 3cmr n GLU 406 Cb 0.58 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.55 3cmr n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cmr n GLU 407 N -1.09 0.22 -0.68 3.49 1.02 -1.26 -4.98 120.64 117.36 3cmr n GLU 407 Ca 0.10 -0.96 0.02 0.00 -0.02 0.00 0.00 57.16 56.29 3cmr n GLU 407 Cb 0.32 -0.28 0.26 0.00 -0.02 0.00 0.00 31.44 31.72 3cmr n GLU 407 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3cmr n ASP 408 N -3.02 4.25 -3.82 1.62 -0.08 -1.26 -4.71 116.55 109.54 3cmr n ASP 408 Ca 0.06 -2.74 -0.21 0.00 -1.51 0.00 0.00 54.79 50.40 3cmr n ASP 408 Cb 0.22 -0.65 -0.17 0.00 2.34 0.00 0.00 41.12 42.86 3cmr n ASP 408 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3cmr s SER 409 N -0.56 1.15 0.47 1.67 0.15 -1.26 -4.80 113.70 110.52 3cmr s SER 409 Ca 0.39 -0.08 -0.21 0.00 0.70 0.00 0.00 55.95 56.75 3cmr s SER 409 Cb 0.30 -0.40 -0.08 0.00 -1.71 0.00 0.00 66.02 64.13 3cmr s SER 409 CO 0.11 -0.13 1.05 -1.10 1.20 0.00 0.00 173.24 174.37 3cmr s GLN 410 N 1.45 3.84 -0.02 5.44 -1.52 -0.09 -4.69 119.66 124.07 3cmr s GLN 410 Ca -0.03 1.43 -0.02 0.00 -1.95 0.00 0.00 55.36 54.80 3cmr s GLN 410 Cb -0.13 -2.19 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 3cmr s GLN 410 CO -0.03 -0.41 0.11 -1.21 -0.25 0.00 0.00 175.29 173.50 3cmr s GLU 411 N -3.06 3.20 0.78 2.91 0.41 -1.26 -4.46 118.70 117.22 3cmr s GLU 411 Ca 0.66 -0.40 -0.16 0.00 -0.41 0.00 0.00 54.97 54.65 3cmr s GLU 411 Cb -0.19 -2.96 -0.06 0.00 -1.78 0.00 0.00 34.13 29.14 3cmr s GLU 411 CO 0.23 0.67 0.17 0.72 -0.49 0.00 0.00 175.26 176.56 3cmr n HIS 412 N 1.22 -2.01 -4.30 1.61 8.25 -1.26 -3.12 115.22 115.60 3cmr n HIS 412 Ca -0.13 0.28 -0.17 0.00 -0.26 0.00 0.00 57.72 57.43 3cmr n HIS 412 Cb 0.53 -1.77 -0.10 0.00 1.12 0.00 0.00 29.99 29.76 3cmr n HIS 412 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3cmr s THR 413 N -2.02 1.53 -2.75 1.59 -4.23 -0.99 -4.83 115.64 103.93 3cmr s THR 413 Ca 0.58 -2.08 0.25 0.00 -1.18 0.00 0.00 61.69 59.26 3cmr s THR 413 Cb -0.32 -1.91 0.30 0.00 1.34 0.00 0.00 72.50 71.91 3cmr s THR 413 CO 0.65 -0.59 1.42 0.61 -0.54 0.00 0.00 174.62 176.16 3cmr n GLY 414 N -0.16 0.58 3.66 3.99 0.00 -1.26 -2.89 105.19 109.10 3cmr n GLY 414 Ca -0.10 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 3cmr n GLY 414 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cmr n SER 415 N 0.84 2.28 -4.55 1.61 2.88 -1.26 -4.84 113.62 110.58 3cmr n SER 415 Ca 0.15 1.18 -0.32 0.00 -1.33 0.00 0.00 58.87 58.55 3cmr n SER 415 Cb 0.51 -1.40 0.14 0.00 -0.75 0.00 0.00 64.21 62.70 3cmr n SER 415 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cmr n GLN 416 N 0.98 -0.29 -3.73 -1.46 10.64 -1.26 -4.24 117.38 118.03 3cmr n GLN 416 Ca 0.08 -0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 55.13 3cmr n GLN 416 Cb 0.33 -2.13 -0.04 0.00 -0.86 0.00 0.00 30.24 27.55 3cmr n GLN 416 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 3cmr s LEU 417 N -3.75 0.22 0.29 2.61 0.05 -1.09 -4.86 118.68 112.15 3cmr s LEU 417 Ca 0.63 -0.47 -0.30 0.00 0.05 0.00 0.00 54.13 54.04 3cmr s LEU 417 Cb -0.23 1.99 -0.11 0.00 -2.05 0.00 0.00 46.19 45.78 3cmr s LEU 417 CO 0.61 -0.99 1.56 -0.60 -0.55 0.00 0.00 176.35 176.39 3cmr s ARG 418 N -3.86 4.14 -0.03 1.48 3.52 -1.26 -1.21 118.95 121.74 3cmr s ARG 418 Ca 0.08 2.53 0.05 0.00 -0.13 0.00 0.00 55.73 58.27 3cmr s ARG 418 Cb 0.00 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3cmr s ARG 418 CO -0.05 -0.59 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.18 3cmr s ILE 419 N -0.09 1.39 0.03 4.11 2.07 -0.73 -4.25 121.20 123.74 3cmr s ILE 419 Ca 0.62 -0.72 0.03 0.00 -1.41 0.00 0.00 60.65 59.17 3cmr s ILE 419 Cb -0.47 -1.18 -0.02 0.00 0.13 0.00 0.00 42.46 40.92 3cmr s ILE 419 CO 0.48 0.40 -0.10 0.00 -1.91 0.00 0.00 174.94 173.82 3cmr s ALA 420 N -0.17 0.77 0.07 1.50 0.00 -0.13 -0.86 121.76 122.95 3cmr s ALA 420 Ca 0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 3cmr s ALA 420 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3cmr s ALA 420 CO 0.01 0.10 0.11 0.00 0.00 0.00 0.00 175.76 175.98 3cmr s ALA 421 N -0.88 0.03 -0.07 0.00 0.00 0.06 -0.96 121.76 119.94 3cmr s ALA 421 Ca -0.03 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3cmr s ALA 421 Cb -0.07 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.48 3cmr s ALA 421 CO 0.01 -0.46 0.18 -0.47 0.00 0.00 0.00 175.76 175.02 3cmr s TYR 422 N -3.85 -0.21 0.00 0.00 5.04 -0.08 -2.66 117.35 115.60 3cmr s TYR 422 Ca 0.05 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 3cmr s TYR 422 Cb 0.06 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.42 3cmr s TYR 422 CO -0.11 -0.12 0.00 0.41 -1.34 0.00 0.00 175.55 174.40 3cmr n GLY 423 N 3.25 -0.63 3.77 8.97 0.00 -1.26 -0.23 105.19 119.06 3cmr n GLY 423 Ca -0.15 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 3cmr n GLY 423 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cmr s PRO 424 N 0.00 4.19 0.00 1.61 0.04 -1.26 -1.98 135.00 137.60 3cmr s PRO 424 Ca 0.00 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3cmr s PRO 424 Cb 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3cmr s PRO 424 CO 0.00 -0.43 0.00 0.72 0.04 0.00 0.00 177.00 177.33 3cmr n HIS 425 N 0.72 0.00 0.25 0.56 8.25 -0.38 -4.64 115.22 119.99 3cmr n HIS 425 Ca 0.01 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.64 3cmr n HIS 425 Cb 0.40 -1.26 0.87 0.00 1.12 0.00 0.00 29.99 31.12 3cmr n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cmr h ALA 426 N 0.00 1.04 -0.59 -1.41 0.00 -1.65 -2.41 119.26 114.24 3cmr h ALA 426 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3cmr h ALA 426 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3cmr h ALA 426 CO 0.00 -0.04 0.45 0.00 0.00 0.00 0.00 179.25 179.66 3cmr h ALA 427 N 1.90 2.53 0.00 0.00 0.00 -1.89 -2.80 119.26 118.99 3cmr h ALA 427 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cmr h ALA 427 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3cmr h ALA 427 CO 0.00 -0.75 0.00 0.09 0.00 0.00 0.00 179.25 178.59 3cmr n ASN 428 N -4.27 0.00 -0.00 0.00 3.02 -0.91 -1.77 115.26 111.34 3cmr n ASN 428 Ca 0.11 -1.43 0.06 0.00 -0.03 0.00 0.00 54.58 53.29 3cmr n ASN 428 Cb 0.69 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.78 3cmr n ASN 428 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3cmr n VAL 429 N -0.69 0.00 -3.07 2.41 0.31 -1.06 -4.95 118.33 111.28 3cmr n VAL 429 Ca 0.08 -0.22 -0.33 0.00 -0.01 0.00 0.00 64.34 63.86 3cmr n VAL 429 Cb 0.04 0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 33.80 3cmr n VAL 429 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cmr s VAL 430 N -2.23 4.62 0.00 2.52 1.01 -0.73 -3.13 120.40 122.46 3cmr s VAL 430 Ca 0.03 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3cmr s VAL 430 Cb 0.09 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3cmr s VAL 430 CO 0.50 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3cmr n GLY 431 N -0.40 -1.49 3.69 4.51 0.00 -1.25 -4.76 105.19 105.49 3cmr n GLY 431 Ca 0.04 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 3cmr n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cmr s LEU 432 N 0.00 4.24 0.32 0.99 2.96 -1.26 -1.89 118.68 124.04 3cmr s LEU 432 Ca 0.00 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 54.93 3cmr s LEU 432 Cb 0.00 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 3cmr s LEU 432 CO 0.00 -0.16 0.21 0.42 -1.32 0.00 0.00 176.35 175.50 3cmr s THR 433 N 1.23 0.14 0.14 3.68 -4.23 -0.93 -5.00 115.64 110.68 3cmr s THR 433 Ca 0.32 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.88 3cmr s THR 433 Cb -0.16 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 3cmr s THR 433 CO 0.13 0.00 0.03 -0.62 -0.54 0.00 0.00 174.62 173.62 3cmr s ASP 434 N -3.37 5.03 0.40 3.99 2.15 -1.26 -1.58 116.67 122.04 3cmr s ASP 434 Ca 0.37 -0.26 0.17 0.00 0.43 0.00 0.00 52.55 53.26 3cmr s ASP 434 Cb 0.04 -1.18 1.05 0.00 -0.30 0.00 0.00 42.92 42.53 3cmr s ASP 434 CO 0.22 0.11 1.83 -0.61 -0.17 0.00 0.00 175.17 176.55 3cmr h GLN 435 N 2.87 0.43 0.00 4.34 4.15 -1.38 0.86 115.11 126.39 3cmr h GLN 435 Ca -0.47 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 58.85 3cmr h GLN 435 Cb 1.19 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3cmr h GLN 435 CO 0.60 0.28 -0.32 1.79 -1.93 0.00 0.00 178.83 179.25 3cmr h THR 436 N 0.44 0.80 -0.36 2.39 1.35 -1.84 -2.14 112.91 113.55 3cmr h THR 436 Ca 0.50 -1.34 0.03 0.00 -0.55 0.00 0.00 66.41 65.05 3cmr h THR 436 Cb 1.20 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 69.44 3cmr h THR 436 CO -0.21 0.31 0.24 0.44 -0.25 0.00 0.00 175.52 176.05 3cmr h ASP 437 N 0.00 0.31 -0.90 5.36 3.32 -1.15 -2.68 116.42 120.67 3cmr h ASP 437 Ca -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3cmr h ASP 437 Cb 0.81 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 3cmr h ASP 437 CO 0.04 0.22 0.59 0.25 -1.72 0.00 0.00 179.24 178.62 3cmr h LEU 438 N 0.36 1.05 -0.07 1.55 5.85 -1.38 0.19 115.31 122.86 3cmr h LEU 438 Ca 0.15 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3cmr h LEU 438 Cb 0.14 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3cmr h LEU 438 CO -0.03 0.77 -0.37 0.15 -0.34 0.00 0.00 178.44 178.61 3cmr h PHE 439 N 1.23 -1.03 -0.52 1.25 3.57 -1.49 -0.48 116.94 119.47 3cmr h PHE 439 Ca 0.33 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 3cmr h PHE 439 Cb -0.13 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3cmr h PHE 439 CO -0.01 -0.45 0.01 1.88 -2.23 0.00 0.00 178.31 177.52 3cmr h TYR 440 N -0.48 0.92 -0.26 0.41 0.05 -1.37 0.96 116.97 117.20 3cmr h TYR 440 Ca 0.07 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.74 3cmr h TYR 440 Cb 0.60 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 3cmr h TYR 440 CO -0.42 0.83 0.12 1.15 -1.05 0.00 0.00 178.16 178.80 3cmr h THR 441 N 0.80 0.99 -0.42 -2.88 2.02 -0.38 -0.71 112.91 112.33 3cmr h THR 441 Ca 0.15 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 3cmr h THR 441 Cb 0.46 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3cmr h THR 441 CO 0.02 0.05 0.09 0.24 0.37 0.00 0.00 175.52 176.29 3cmr h MET 442 N 0.26 0.69 -0.21 6.66 2.86 -0.76 0.39 114.93 124.82 3cmr h MET 442 Ca 0.11 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3cmr h MET 442 Cb 0.03 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3cmr h MET 442 CO -0.07 0.71 0.04 -0.22 1.06 0.00 0.00 176.91 178.43 3cmr h LYS 443 N 0.55 0.12 -0.19 1.72 3.64 -0.57 -2.27 116.57 119.58 3cmr h LYS 443 Ca 0.13 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 3cmr h LYS 443 Cb 0.34 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3cmr h LYS 443 CO 0.00 0.08 -0.48 0.00 -2.27 0.00 0.00 179.45 176.79 3cmr h ALA 444 N 1.15 0.83 -0.43 5.00 0.00 -1.03 0.01 119.26 124.79 3cmr h ALA 444 Ca 0.09 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3cmr h ALA 444 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3cmr h ALA 444 CO -0.12 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 3cmr h ALA 445 N 1.10 1.12 -0.22 0.00 0.00 -0.62 -2.26 119.26 118.38 3cmr h ALA 445 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3cmr h ALA 445 Cb 0.98 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3cmr h ALA 445 CO 0.09 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3cmr n LEU 446 N -4.20 1.89 -3.36 0.00 4.77 -0.88 -1.35 117.00 113.87 3cmr n LEU 446 Ca 0.02 -0.82 -0.24 0.00 -0.03 0.00 0.00 56.01 54.94 3cmr n LEU 446 Cb 0.32 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3cmr n LEU 446 CO 0.41 0.41 0.05 0.61 -1.33 0.00 0.00 177.39 177.54 3cmr n GLY 447 N 1.16 -0.51 0.00 -0.72 0.00 -0.85 -5.01 105.19 99.25 3cmr n GLY 447 Ca 0.16 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.45 3cmr n GLY 447 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36