#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 3.70 0.28 0.03 0.04 -1.26 -5.00 135.00 132.78 3cmr s PRO 5 Ca 0.00 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 3cmr s PRO 5 Cb 0.00 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3cmr s PRO 5 CO 0.00 -0.54 0.53 0.08 0.04 0.00 0.00 177.00 177.11 3cmr s VAL 6 N -1.85 5.06 -0.24 -0.36 1.01 -1.26 -4.80 120.40 117.97 3cmr s VAL 6 Ca 0.68 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 3cmr s VAL 6 Cb -0.20 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3cmr s VAL 6 CO 0.24 -0.31 1.63 -0.76 0.00 0.00 0.00 175.10 175.90 3cmr s LEU 7 N -3.56 3.85 -0.02 3.92 1.02 -0.32 -4.89 118.68 118.68 3cmr s LEU 7 Ca 0.43 1.57 0.01 0.00 0.02 0.00 0.00 54.13 56.16 3cmr s LEU 7 Cb -0.11 -3.53 -0.26 0.00 0.02 0.00 0.00 46.19 42.31 3cmr s LEU 7 CO 0.30 -1.31 0.75 -0.33 0.02 0.00 0.00 176.35 175.78 3cmr h GLU 8 N 10.96 0.18 -0.83 1.70 5.08 -1.96 -3.43 114.58 126.27 3cmr h GLU 8 Ca -0.34 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 57.68 3cmr h GLU 8 Cb 1.15 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 3cmr h GLU 8 CO 1.01 0.98 -0.38 1.21 -1.00 0.00 0.00 179.01 180.82 3cmr s ASN 9 N -6.76 -1.26 -0.76 1.42 3.84 -1.26 -4.99 114.94 105.16 3cmr s ASN 9 Ca -0.10 -0.80 -0.02 0.00 0.21 0.00 0.00 52.86 52.15 3cmr s ASN 9 Cb 0.07 1.62 0.34 0.00 -0.55 0.00 0.00 41.25 42.74 3cmr s ASN 9 CO 0.83 -0.12 2.10 0.54 -2.79 0.00 0.00 177.10 177.65 3cmr n ARG 10 N 3.99 2.68 -1.77 0.43 1.74 -1.26 -4.91 116.66 117.56 3cmr n ARG 10 Ca 0.11 -3.31 -0.31 0.00 -0.77 0.00 0.00 57.85 53.58 3cmr n ARG 10 Cb 0.58 -2.25 0.04 0.00 -1.02 0.00 0.00 32.46 29.81 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 -3.75 2.87 0.15 7.54 0.00 -1.26 -4.73 121.76 122.57 3cmr s ALA 11 Ca 0.55 -0.12 -0.34 0.00 0.00 0.00 0.00 51.96 52.05 3cmr s ALA 11 Cb 0.45 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 20.31 3cmr s ALA 11 CO -0.29 -1.02 1.10 0.00 0.00 0.00 0.00 175.76 175.54 3cmr n ALA 12 N -2.97 -1.42 1.09 0.00 0.00 0.11 -4.30 120.51 113.02 3cmr n ALA 12 Ca 0.07 0.48 0.12 0.00 0.00 0.00 0.00 53.44 54.11 3cmr n ALA 12 Cb 0.55 -1.95 0.23 0.00 0.00 0.00 0.00 19.45 18.28 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 1.69 0.39 0.00 0.00 1.13 -0.00 -4.97 117.38 115.61 3cmr n GLN 13 Ca 0.16 -0.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 3cmr n GLN 13 Cb 0.22 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.07 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 1.44 4.16 3.58 1.08 0.00 0.93 -5.02 105.19 111.36 3cmr n GLY 14 Ca 0.08 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 1.67 6.45 0.32 1.61 -1.08 -1.25 -4.78 116.67 119.62 3cmr s ASP 15 Ca 0.00 0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.35 3cmr s ASP 15 Cb 0.00 -2.55 1.19 0.00 -1.46 0.00 0.00 42.92 40.09 3cmr s ASP 15 CO 0.00 -1.48 1.67 2.30 0.52 0.00 0.00 175.17 178.18 3cmr n ILE 16 N 6.67 1.02 0.70 4.11 -5.35 -1.25 -0.90 119.36 124.36 3cmr n ILE 16 Ca 0.08 0.72 0.12 0.00 -0.27 0.00 0.00 62.75 63.41 3cmr n ILE 16 Cb 0.49 -1.72 0.30 0.00 -1.74 0.00 0.00 39.64 36.96 3cmr n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3cmr n THR 17 N -2.27 0.32 -3.91 7.28 -2.24 -1.26 -4.50 114.28 107.70 3cmr n THR 17 Ca -0.01 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 3cmr n THR 17 Cb 0.04 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 3cmr n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cmr s ALA 18 N -3.10 3.95 0.12 6.98 0.00 -0.08 -5.04 121.76 124.59 3cmr s ALA 18 Ca 0.09 -1.28 -0.32 0.00 0.00 0.00 0.00 51.96 50.45 3cmr s ALA 18 Cb 0.14 -1.69 -0.12 0.00 0.00 0.00 0.00 23.12 21.45 3cmr s ALA 18 CO 0.66 0.20 1.77 -2.30 0.00 0.00 0.00 175.76 176.09 3cmr n PRO 19 N -1.43 2.58 -0.36 0.00 -0.02 -1.26 -2.21 135.00 132.30 3cmr n PRO 19 Ca -0.08 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3cmr n PRO 19 Cb 0.57 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 4.03 1.95 0.24 -1.23 0.00 -1.26 -4.90 105.19 104.02 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 -1.25 -0.02 0.00 -1.54 -2.73 103.07 97.52 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 -2.11 2.51 -1.78 3.60 0.00 -1.26 -0.05 120.51 121.42 3cmr n ALA 22 Ca 0.02 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 3cmr n ALA 22 Cb 0.43 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.98 4.12 -0.00 0.00 0.52 -1.03 -4.57 118.95 116.01 3cmr s ARG 23 Ca 0.33 2.55 0.22 0.00 -0.52 0.00 0.00 55.73 58.31 3cmr s ARG 23 Cb 0.20 -2.98 -0.24 0.00 0.52 0.00 0.00 34.95 32.45 3cmr s ARG 23 CO 0.32 -0.53 0.72 0.54 0.02 0.00 0.00 175.30 176.36 3cmr n ARG 24 N 0.78 0.36 -4.24 3.54 1.74 -1.26 -0.82 116.66 116.76 3cmr n ARG 24 Ca 0.02 -0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 56.68 3cmr n ARG 24 Cb 0.39 -1.53 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 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 -3.88 3.61 0.00 0.55 1.43 -1.26 -4.38 118.68 114.75 3cmr s LEU 25 Ca -0.00 0.04 0.12 0.00 -1.03 0.00 0.00 54.13 53.26 3cmr s LEU 25 Cb 0.15 -2.07 0.16 0.00 0.03 0.00 0.00 46.19 44.45 3cmr s LEU 25 CO 0.88 0.28 1.00 0.35 0.23 0.00 0.00 176.35 179.09 3cmr n THR 26 N 1.36 0.25 -1.36 5.49 -2.24 -1.26 -5.01 114.28 111.51 3cmr n THR 26 Ca -0.14 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3cmr n THR 26 Cb 0.53 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 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 0.69 -1.79 3.77 3.38 0.00 -1.26 -5.14 105.19 104.84 3cmr n GLY 27 Ca 0.09 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.54 6.43 0.00 1.61 2.15 -1.26 -4.95 116.67 119.10 3cmr s ASP 28 Ca 0.00 2.86 0.21 0.00 0.43 0.00 0.00 52.55 56.05 3cmr s ASP 28 Cb 0.00 -2.66 0.27 0.00 -0.30 0.00 0.00 42.92 40.24 3cmr s ASP 28 CO 0.00 -0.79 1.25 0.00 -0.17 0.00 0.00 175.17 175.46 3cmr n GLN 29 N 0.45 2.15 -0.11 4.34 1.13 -1.26 -4.65 117.38 119.43 3cmr n GLN 29 Ca 0.01 -1.96 -0.08 0.00 -1.94 0.00 0.00 57.00 53.03 3cmr n GLN 29 Cb 0.41 -1.43 -0.01 0.00 0.11 0.00 0.00 30.24 29.32 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 4.08 1.07 -0.52 5.09 2.02 -1.99 -1.86 112.91 120.80 3cmr h THR 30 Ca 0.00 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3cmr h THR 30 Cb 0.90 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3cmr h THR 30 CO 0.00 0.08 0.11 0.00 0.37 0.00 0.00 175.52 176.08 3cmr h ALA 31 N 1.14 0.69 -0.66 6.16 0.00 -1.99 0.13 119.26 124.72 3cmr h ALA 31 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3cmr h ALA 31 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3cmr h ALA 31 CO -0.04 0.41 0.27 0.00 0.00 0.00 0.00 179.25 179.89 3cmr h ALA 32 N 0.99 0.86 -0.30 0.00 0.00 -1.80 -0.62 119.26 118.39 3cmr h ALA 32 Ca 0.16 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3cmr h ALA 32 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3cmr h ALA 32 CO 0.01 0.47 -0.46 1.25 0.00 0.00 0.00 179.25 180.52 3cmr h LEU 33 N 0.93 0.86 0.01 0.00 5.85 -1.24 -1.76 115.31 119.97 3cmr h LEU 33 Ca 0.22 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3cmr h LEU 33 Cb 0.20 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3cmr h LEU 33 CO -0.02 1.19 -0.35 0.03 -0.34 0.00 0.00 178.44 178.95 3cmr h ARG 34 N 0.63 -0.49 0.00 1.25 3.08 -0.34 -1.32 114.38 117.19 3cmr h ARG 34 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3cmr h ARG 34 Cb 1.04 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3cmr h ARG 34 CO 0.10 -0.33 0.07 -0.25 -1.07 0.00 0.00 179.97 178.50 3cmr n ASP 35 N -5.43 0.46 -0.56 7.04 8.00 -0.28 -1.58 116.55 124.20 3cmr n ASP 35 Ca -0.05 0.69 0.11 0.00 0.71 0.00 0.00 54.79 56.25 3cmr n ASP 35 Cb 0.34 -0.72 0.39 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.13 1.71 -4.22 -2.24 7.64 -0.50 -4.36 113.62 109.51 3cmr n SER 36 Ca -0.01 -1.69 -0.35 0.00 1.01 0.00 0.00 58.87 57.83 3cmr n SER 36 Cb 0.10 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.63 3.60 -0.01 -3.43 1.43 -0.62 -4.63 118.68 113.39 3cmr s LEU 37 Ca 0.33 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 3cmr s LEU 37 Cb 0.18 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3cmr s LEU 37 CO 0.27 -0.19 -0.02 -0.55 0.23 0.00 0.00 176.35 176.09 3cmr s SER 38 N 1.34 0.25 -0.29 2.29 0.15 -1.26 -5.02 113.70 111.16 3cmr s SER 38 Ca -0.01 -0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.71 3cmr s SER 38 Cb -0.18 -0.05 0.57 0.00 -1.71 0.00 0.00 66.02 64.66 3cmr s SER 38 CO -0.02 0.01 1.57 -0.90 1.20 0.00 0.00 173.24 175.10 3cmr n ASP 39 N 3.19 3.41 -4.73 5.45 5.68 -1.26 -0.95 116.55 127.33 3cmr n ASP 39 Ca -0.15 -3.46 -0.30 0.00 -0.50 0.00 0.00 54.79 50.38 3cmr n ASP 39 Cb 0.58 -0.66 0.12 0.00 -1.14 0.00 0.00 41.12 40.03 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 -3.10 1.58 0.36 0.11 -2.85 -1.26 -4.90 119.74 109.67 3cmr s LYS 40 Ca 0.47 0.93 -0.28 0.00 -1.00 0.00 0.00 55.97 56.09 3cmr s LYS 40 Cb 0.40 -1.84 -0.10 0.00 -2.06 0.00 0.00 37.83 34.24 3cmr s LYS 40 CO 0.06 -2.05 1.32 -2.14 0.10 0.00 0.00 175.35 172.64 3cmr s PRO 41 N -4.93 4.22 0.09 1.78 0.02 -1.26 -4.49 135.00 130.43 3cmr s PRO 41 Ca 0.63 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.57 3cmr s PRO 41 Cb -0.18 -2.97 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 3cmr s PRO 41 CO 0.57 -0.31 1.10 0.00 -0.33 0.00 0.00 177.00 178.03 3cmr s ALA 42 N -1.18 3.32 -0.06 -1.55 0.00 -0.24 -4.89 121.76 117.17 3cmr s ALA 42 Ca 0.52 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 3cmr s ALA 42 Cb -0.40 -3.38 -0.30 0.00 0.00 0.00 0.00 23.12 19.04 3cmr s ALA 42 CO 0.53 -0.29 0.73 -0.22 0.00 0.00 0.00 175.76 176.51 3cmr h LYS 43 N 6.17 0.33 -5.93 0.00 3.64 -0.79 -3.38 116.57 116.61 3cmr h LYS 43 Ca -0.42 -0.56 -0.52 0.00 -1.27 0.00 0.00 60.65 57.87 3cmr h LYS 43 Cb 1.21 0.21 -0.18 0.00 -0.41 0.00 0.00 32.23 33.06 3cmr h LYS 43 CO 0.76 1.27 -0.78 -0.80 -2.27 0.00 0.00 179.45 177.63 3cmr s ASN 44 N -7.15 2.64 -0.02 4.20 0.01 -1.10 -3.42 114.94 110.10 3cmr s ASN 44 Ca -0.16 -0.84 0.04 0.00 -0.71 0.00 0.00 52.86 51.19 3cmr s ASN 44 Cb 0.04 -0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.54 3cmr s ASN 44 CO 0.83 -0.03 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.60 3cmr s ILE 45 N -1.98 1.23 -0.22 0.60 1.01 -0.71 -1.35 121.20 119.78 3cmr s ILE 45 Ca 0.15 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3cmr s ILE 45 Cb -0.06 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.42 3cmr s ILE 45 CO 0.06 0.35 -0.12 -0.63 0.00 0.00 0.00 174.94 174.60 3cmr s ILE 46 N -0.21 1.91 -0.25 2.92 1.01 -0.35 -1.68 121.20 124.55 3cmr s ILE 46 Ca 0.03 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.37 3cmr s ILE 46 Cb -0.08 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3cmr s ILE 46 CO 0.00 0.17 0.11 -0.22 0.00 0.00 0.00 174.94 175.00 3cmr s LEU 47 N 1.27 3.67 -0.14 2.97 2.96 -0.04 -1.19 118.68 128.18 3cmr s LEU 47 Ca -0.03 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3cmr s LEU 47 Cb -0.17 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 3cmr s LEU 47 CO -0.08 -0.02 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.05 3cmr s LEU 48 N 1.55 2.73 -0.16 -0.68 2.01 0.52 -0.45 118.68 124.20 3cmr s LEU 48 Ca 0.06 -0.34 0.00 0.00 0.01 0.00 0.00 54.13 53.86 3cmr s LEU 48 Cb -0.15 -1.63 0.00 0.00 0.01 0.00 0.00 46.19 44.42 3cmr s LEU 48 CO 0.06 0.14 -0.15 -0.63 1.01 0.00 0.00 176.35 176.77 3cmr s ILE 49 N 0.51 2.60 -0.42 -0.59 -1.09 0.12 -1.77 121.20 120.56 3cmr s ILE 49 Ca -0.08 -0.78 -0.18 0.00 -2.23 0.00 0.00 60.65 57.38 3cmr s ILE 49 Cb -0.16 -2.10 0.02 0.00 -1.58 0.00 0.00 42.46 38.64 3cmr s ILE 49 CO 0.04 0.51 0.46 -0.83 -1.23 0.00 0.00 174.94 173.89 3cmr s GLY 50 N 0.96 1.87 -0.02 6.18 0.00 0.03 -0.76 107.32 115.59 3cmr s GLY 50 Ca -0.03 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 3cmr s GLY 50 CO -0.03 1.20 1.41 -0.35 0.00 0.00 0.00 173.10 175.33 3cmr s ASP 51 N 1.82 6.84 0.00 1.64 -1.08 -0.55 -1.70 116.67 123.66 3cmr s ASP 51 Ca 0.13 2.08 0.00 0.00 -0.52 0.00 0.00 52.55 54.25 3cmr s ASP 51 Cb -0.17 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 3cmr s ASP 51 CO 0.14 -0.74 0.00 0.61 0.52 0.00 0.00 175.17 175.70 3cmr n GLY 52 N 3.68 0.49 3.16 2.66 0.00 -1.24 -0.82 105.19 113.12 3cmr n GLY 52 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.24 3.20 -1.19 1.61 1.56 -0.69 -4.09 117.12 115.28 3cmr n MET 53 Ca 0.00 -3.21 -0.29 0.00 -0.27 0.00 0.00 57.70 53.92 3cmr n MET 53 Cb 0.07 -3.24 0.21 0.00 2.15 0.00 0.00 33.22 32.40 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 3.02 1.58 0.42 -5.12 0.00 -1.26 -4.39 107.32 101.57 3cmr s GLY 54 Ca 0.47 -0.72 0.09 0.00 0.00 0.00 0.00 44.72 44.56 3cmr s GLY 54 CO -0.00 0.03 2.04 -0.55 0.00 0.00 0.00 173.10 174.62 3cmr h ASP 55 N -2.21 0.44 -0.63 1.64 3.32 -1.93 -1.16 116.42 115.89 3cmr h ASP 55 Ca -0.49 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 3cmr h ASP 55 Cb 1.31 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 3cmr h ASP 55 CO 0.45 0.30 0.19 -1.28 -1.72 0.00 0.00 179.24 177.18 3cmr h SER 56 N 0.51 0.92 -0.33 6.45 0.87 -1.92 -1.00 113.55 119.05 3cmr h SER 56 Ca 0.18 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 3cmr h SER 56 Cb 0.11 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3cmr h SER 56 CO -0.05 0.89 -0.35 -0.33 -0.53 0.00 0.00 176.83 176.47 3cmr h GLU 57 N 0.91 0.87 -0.32 2.24 3.07 -1.66 -0.31 114.58 119.37 3cmr h GLU 57 Ca 0.20 -0.44 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 3cmr h GLU 57 Cb 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3cmr h GLU 57 CO -0.00 1.08 0.09 0.82 -1.40 0.00 0.00 179.01 179.59 3cmr h ILE 58 N 0.72 1.21 -0.35 3.13 2.04 -1.09 -2.32 117.51 120.85 3cmr h ILE 58 Ca 0.07 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3cmr h ILE 58 Cb 0.92 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3cmr h ILE 58 CO 0.09 0.24 0.18 0.74 0.00 0.00 0.00 178.15 179.40 3cmr h THR 59 N 0.36 1.15 -0.33 -0.27 2.02 -0.97 -0.32 112.91 114.56 3cmr h THR 59 Ca 0.10 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3cmr h THR 59 Cb 0.27 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3cmr h THR 59 CO -0.00 0.16 0.21 0.00 0.37 0.00 0.00 175.52 176.26 3cmr h ALA 60 N 1.04 0.41 -0.24 6.16 0.00 -1.02 0.16 119.26 125.78 3cmr h ALA 60 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3cmr h ALA 60 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3cmr h ALA 60 CO -0.02 -0.12 0.15 0.00 0.00 0.00 0.00 179.25 179.26 3cmr h ALA 61 N 1.12 0.30 -0.49 0.00 0.00 -1.31 -1.07 119.26 117.80 3cmr h ALA 61 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cmr h ALA 61 Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3cmr h ALA 61 CO -0.03 -0.21 0.30 -0.09 0.00 0.00 0.00 179.25 179.22 3cmr h ARG 62 N 0.31 0.66 -0.43 0.00 2.43 -0.68 0.44 114.38 117.11 3cmr h ARG 62 Ca 0.09 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3cmr h ARG 62 Cb -0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3cmr h ARG 62 CO -0.02 0.47 0.27 -0.91 -1.51 0.00 0.00 179.97 178.27 3cmr h ASN 63 N 0.65 0.45 0.10 -3.80 2.35 -0.45 -0.20 115.58 114.68 3cmr h ASN 63 Ca 0.18 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3cmr h ASN 63 Cb -0.03 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3cmr h ASN 63 CO -0.03 0.32 -0.05 0.22 -1.65 0.00 0.00 177.43 176.24 3cmr h TYR 64 N 0.54 -0.12 0.18 1.19 5.03 -1.07 -2.81 116.97 119.92 3cmr h TYR 64 Ca 0.17 -0.00 -0.34 0.00 2.58 0.00 0.00 58.73 61.13 3cmr h TYR 64 Cb -0.02 0.04 0.01 0.00 1.55 0.00 0.00 36.73 38.31 3cmr h TYR 64 CO -0.06 0.36 -1.68 0.00 -1.32 0.00 0.00 178.16 175.46 3cmr h ALA 65 N 0.13 0.14 -0.00 1.82 0.00 -0.84 -0.50 119.26 120.01 3cmr h ALA 65 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3cmr h ALA 65 Cb 0.53 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3cmr h ALA 65 CO 0.02 1.01 -0.13 0.39 0.00 0.00 0.00 179.25 180.54 3cmr n GLU 66 N -3.58 2.40 0.00 0.00 -0.58 -0.23 -4.72 120.64 113.93 3cmr n GLU 66 Ca -0.22 -0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 3cmr n GLU 66 Cb 1.07 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.99 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 0.74 -0.51 0.29 0.62 0.00 -0.36 -3.54 105.19 102.41 3cmr n GLY 67 Ca 0.02 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.47 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 1.06 -0.41 4.61 0.00 -1.77 -1.64 119.26 121.10 3cmr h ALA 68 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cmr h ALA 68 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3cmr h ALA 68 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3cmr n GLY 69 N -1.31 1.05 0.00 0.00 0.00 -1.26 -4.87 105.19 98.80 3cmr n GLY 69 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.11 -1.45 3.54 -0.02 0.00 -0.62 0.04 105.19 107.79 3cmr n GLY 70 Ca 0.14 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.96 -0.94 -0.46 1.61 5.36 -1.26 -4.59 117.98 116.74 3cmr s PHE 71 Ca 0.00 1.90 -0.25 0.00 -0.96 0.00 0.00 56.93 57.62 3cmr s PHE 71 Cb 0.00 0.54 0.03 0.00 -0.34 0.00 0.00 43.02 43.24 3cmr s PHE 71 CO 0.00 -0.48 0.88 -0.06 -1.46 0.00 0.00 175.22 174.10 3cmr s PHE 72 N 1.59 2.94 -0.16 10.12 0.08 -1.26 -4.91 117.98 126.37 3cmr s PHE 72 Ca -0.10 0.28 0.25 0.00 0.12 0.00 0.00 56.93 57.49 3cmr s PHE 72 Cb -0.06 -3.88 1.27 0.00 -0.57 0.00 0.00 43.02 39.78 3cmr s PHE 72 CO -0.18 -1.08 1.77 0.87 -0.10 0.00 0.00 175.22 176.50 3cmr h LYS 73 N 9.06 0.00 0.00 0.44 1.57 -1.95 -0.64 116.57 125.06 3cmr h LYS 73 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3cmr h LYS 73 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3cmr h LYS 73 CO 1.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.30 3cmr n GLY 74 N -0.89 -0.42 0.18 3.86 0.00 -1.26 -4.47 105.19 102.19 3cmr n GLY 74 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.56 -0.00 -0.61 2.04 -1.79 -2.20 117.51 115.51 3cmr h ILE 75 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3cmr h ILE 75 Cb 0.00 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3cmr h ILE 75 CO 0.00 0.00 -0.04 0.47 0.00 0.00 0.00 178.15 178.58 3cmr n ASP 76 N -5.32 0.25 -0.10 1.72 8.00 -0.25 -4.06 116.55 116.78 3cmr n ASP 76 Ca 0.03 -0.55 0.13 0.00 0.71 0.00 0.00 54.79 55.11 3cmr n ASP 76 Cb 0.24 -0.13 0.38 0.00 -0.02 0.00 0.00 41.12 41.60 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 -1.03 3.16 -2.69 2.24 0.00 -0.83 -4.84 120.51 116.51 3cmr n ALA 77 Ca 0.17 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 3cmr n ALA 77 Cb 0.23 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.74 4.27 0.36 0.00 1.02 -1.26 -1.18 118.68 119.15 3cmr s LEU 78 Ca 0.19 1.37 0.16 0.00 0.02 0.00 0.00 54.13 55.87 3cmr s LEU 78 Cb 0.19 -3.34 0.64 0.00 0.02 0.00 0.00 46.19 43.70 3cmr s LEU 78 CO 0.59 -0.30 1.73 1.55 0.02 0.00 0.00 176.35 179.93 3cmr h PRO 79 N 7.01 0.00 -4.93 1.29 0.13 -1.87 -3.44 132.00 130.19 3cmr h PRO 79 Ca -0.35 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 3cmr h PRO 79 Cb 1.17 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 3cmr h PRO 79 CO 0.80 0.42 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.76 3cmr s LEU 80 N -7.35 3.15 0.06 1.56 1.43 -1.03 -5.00 118.68 111.50 3cmr s LEU 80 Ca -0.01 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3cmr s LEU 80 Cb 0.12 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3cmr s LEU 80 CO 0.71 -0.09 -0.14 0.42 0.23 0.00 0.00 176.35 177.48 3cmr s THR 81 N 1.42 1.08 0.00 5.49 -4.23 -1.26 -0.50 115.64 117.64 3cmr s THR 81 Ca 0.03 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3cmr s THR 81 Cb -0.16 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.66 3cmr s THR 81 CO -0.03 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 3cmr n GLY 82 N 1.50 3.23 3.09 3.99 0.00 -0.41 -3.86 105.19 112.74 3cmr n GLY 82 Ca -0.20 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.03 1.63 0.26 1.61 1.11 -0.95 -1.60 119.66 120.69 3cmr s GLN 83 Ca 0.00 -0.53 0.10 0.00 0.01 0.00 0.00 55.36 54.94 3cmr s GLN 83 Cb 0.00 -1.41 -0.05 0.00 -1.01 0.00 0.00 33.01 30.53 3cmr s GLN 83 CO 0.00 0.19 -0.16 1.52 0.01 0.00 0.00 175.29 176.85 3cmr s TYR 84 N 0.16 2.06 -0.09 0.91 1.13 -0.29 -2.05 117.35 119.19 3cmr s TYR 84 Ca -0.05 -0.46 -0.02 0.00 -1.41 0.00 0.00 57.07 55.12 3cmr s TYR 84 Cb -0.12 -0.96 -0.03 0.00 -1.10 0.00 0.00 41.96 39.75 3cmr s TYR 84 CO 0.02 0.55 0.01 0.95 -2.51 0.00 0.00 175.55 174.57 3cmr s THR 85 N -2.72 4.41 -0.06 -3.49 -4.23 -0.44 -2.43 115.64 106.67 3cmr s THR 85 Ca 0.27 -0.21 0.09 0.00 -1.18 0.00 0.00 61.69 60.66 3cmr s THR 85 Cb -0.02 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 71.09 3cmr s THR 85 CO 0.12 0.61 1.04 0.00 -0.54 0.00 0.00 174.62 175.85 3cmr n HIS 86 N 2.13 0.00 -1.65 3.99 1.44 -1.26 -1.22 115.22 118.65 3cmr n HIS 86 Ca -0.19 -0.49 -0.42 0.00 -2.01 0.00 0.00 57.72 54.62 3cmr n HIS 86 Cb 0.54 -0.09 0.01 0.00 0.12 0.00 0.00 29.99 30.56 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 -0.69 1.62 -2.56 -1.40 4.11 -1.26 -4.42 117.16 112.56 3cmr n TYR 87 Ca 0.07 0.55 0.00 0.00 -0.00 0.00 0.00 57.90 58.52 3cmr n TYR 87 Cb 0.64 -2.30 0.00 0.00 -0.00 0.00 0.00 39.34 37.68 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 -0.28 0.00 -2.55 -3.48 0.00 -0.09 -4.91 120.51 109.20 3cmr n ALA 88 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 3cmr n ALA 88 Cb 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 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 2.26 0.16 0.00 1.43 -0.52 -0.28 118.68 121.74 3cmr s LEU 89 Ca 0.00 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 3cmr s LEU 89 Cb 0.00 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.29 3cmr s LEU 89 CO 0.00 0.07 1.10 0.21 0.23 0.00 0.00 176.35 177.95 3cmr s ASN 90 N -1.70 7.27 0.29 2.29 3.84 0.23 -3.93 114.94 123.22 3cmr s ASN 90 Ca 0.06 2.06 0.03 0.00 0.21 0.00 0.00 52.86 55.22 3cmr s ASN 90 Cb -0.10 -2.60 0.44 0.00 -0.55 0.00 0.00 41.25 38.45 3cmr s ASN 90 CO 0.03 -0.23 1.75 0.50 -2.79 0.00 0.00 177.10 176.36 3cmr h LYS 91 N 5.26 0.48 0.14 0.43 3.64 -1.93 -0.44 116.57 124.15 3cmr h LYS 91 Ca -0.44 -0.17 -0.27 0.00 -1.27 0.00 0.00 60.65 58.50 3cmr h LYS 91 Cb 1.21 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3cmr h LYS 91 CO 0.73 0.67 -1.15 0.87 -2.27 0.00 0.00 179.45 178.30 3cmr h LYS 92 N 0.43 0.52 0.00 1.90 1.57 -1.92 -3.39 116.57 115.68 3cmr h LYS 92 Ca 0.07 -0.76 -0.13 0.00 -1.87 0.00 0.00 60.65 57.96 3cmr h LYS 92 Cb 0.62 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3cmr h LYS 92 CO 0.04 1.34 -1.83 0.25 -0.57 0.00 0.00 179.45 178.69 3cmr n THR 93 N -3.89 0.70 -0.90 -0.16 -2.24 -1.19 -4.96 114.28 101.64 3cmr n THR 93 Ca -0.14 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 3cmr n THR 93 Cb 0.95 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.40 0.38 3.88 3.38 0.00 -0.18 -5.01 105.19 109.04 3cmr n GLY 94 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.73 3.26 0.56 1.61 1.02 -1.26 -4.72 119.74 119.47 3cmr s LYS 95 Ca 0.00 0.52 -0.21 0.00 0.02 0.00 0.00 55.97 56.30 3cmr s LYS 95 Cb 0.00 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3cmr s LYS 95 CO 0.00 -0.72 1.33 -2.14 -0.92 0.00 0.00 175.35 172.90 3cmr s PRO 96 N -5.19 3.10 -0.23 -1.68 0.02 -1.26 -0.60 135.00 129.16 3cmr s PRO 96 Ca 0.55 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.75 3cmr s PRO 96 Cb -0.11 -2.20 0.04 0.00 0.02 0.00 0.00 34.50 32.26 3cmr s PRO 96 CO 0.51 -1.20 -0.14 0.34 -0.33 0.00 0.00 177.00 176.19 3cmr s ASP 97 N -1.07 3.97 0.18 2.53 -1.08 0.62 -4.54 116.67 117.27 3cmr s ASP 97 Ca 0.73 -1.10 0.25 0.00 -0.52 0.00 0.00 52.55 51.91 3cmr s ASP 97 Cb -0.39 -1.53 0.91 0.00 -1.46 0.00 0.00 42.92 40.45 3cmr s ASP 97 CO 0.45 -0.12 1.76 -1.22 0.52 0.00 0.00 175.17 176.56 3cmr n TYR 98 N 4.51 0.71 -3.97 -5.34 4.01 -1.26 -0.91 117.16 114.91 3cmr n TYR 98 Ca -0.17 0.23 -0.31 0.00 -0.16 0.00 0.00 57.90 57.49 3cmr n TYR 98 Cb 0.45 -0.87 -0.15 0.00 -0.31 0.00 0.00 39.34 38.46 3cmr n TYR 98 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3cmr s VAL 99 N -3.14 1.76 0.62 -0.72 1.01 -1.26 -4.43 120.40 114.24 3cmr s VAL 99 Ca 0.09 -1.55 -0.13 0.00 0.00 0.00 0.00 61.98 60.39 3cmr s VAL 99 Cb 0.12 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3cmr s VAL 99 CO 0.51 -0.23 1.04 0.28 0.00 0.00 0.00 175.10 176.70 3cmr s THR 100 N 1.25 4.16 0.36 3.92 -1.32 -1.26 -4.80 115.64 117.95 3cmr s THR 100 Ca -0.02 0.85 0.01 0.00 -1.21 0.00 0.00 61.69 61.32 3cmr s THR 100 Cb -0.19 -3.52 0.07 0.00 -1.51 0.00 0.00 72.50 67.35 3cmr s THR 100 CO -0.08 -0.77 0.50 -0.90 -2.21 0.00 0.00 174.62 171.16 3cmr n ASP 101 N -2.46 0.74 0.18 8.08 5.75 -1.26 -4.93 116.55 122.64 3cmr n ASP 101 Ca 0.07 -1.61 0.05 0.00 -0.01 0.00 0.00 54.79 53.30 3cmr n ASP 101 Cb 0.53 -0.32 0.25 0.00 -1.03 0.00 0.00 41.12 40.56 3cmr n ASP 101 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3cmr h SER 102 N -0.26 0.00 0.03 -1.12 0.02 -1.99 -3.10 113.55 107.13 3cmr h SER 102 Ca -0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3cmr h SER 102 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3cmr h SER 102 CO 0.18 0.41 -0.01 0.00 -1.14 0.00 0.00 176.83 176.27 3cmr h ALA 103 N 1.59 -0.04 -0.59 3.77 0.00 -1.87 -1.44 119.26 120.68 3cmr h ALA 103 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3cmr h ALA 103 Cb 1.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3cmr h ALA 103 CO 0.05 -0.14 0.15 0.00 0.00 0.00 0.00 179.25 179.32 3cmr h ALA 104 N 0.07 0.78 0.42 0.00 0.00 -1.65 -0.72 119.26 118.16 3cmr h ALA 104 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3cmr h ALA 104 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3cmr h ALA 104 CO 0.01 0.48 -0.20 0.66 0.00 0.00 0.00 179.25 180.20 3cmr h SER 105 N 0.86 -0.48 -0.88 0.00 4.64 -1.62 -1.81 113.55 114.25 3cmr h SER 105 Ca 0.19 -0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.56 3cmr h SER 105 Cb 0.34 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.49 3cmr h SER 105 CO 0.00 -0.28 0.57 0.00 -0.87 0.00 0.00 176.83 176.25 3cmr h ALA 106 N -0.11 1.61 -0.95 5.18 0.00 -1.26 -1.89 119.26 121.84 3cmr h ALA 106 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3cmr h ALA 106 Cb 0.48 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3cmr h ALA 106 CO 0.10 0.23 0.60 1.15 0.00 0.00 0.00 179.25 181.33 3cmr h THR 107 N 0.92 1.25 0.08 0.00 2.02 -1.01 -2.39 112.91 113.78 3cmr h THR 107 Ca 0.40 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3cmr h THR 107 Cb 0.33 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3cmr h THR 107 CO -0.16 0.26 -0.08 0.00 0.37 0.00 0.00 175.52 175.91 3cmr h ALA 108 N 1.36 -0.15 0.00 6.16 0.00 -0.49 0.15 119.26 126.29 3cmr h ALA 108 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3cmr h ALA 108 Cb -0.10 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3cmr h ALA 108 CO -0.07 -0.60 0.00 0.11 0.00 0.00 0.00 179.25 178.70 3cmr h TRP 109 N -0.17 0.00 0.00 0.00 0.09 -1.51 0.16 115.95 114.52 3cmr h TRP 109 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 58.93 3cmr h TRP 109 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.40 3cmr h TRP 109 CO -0.10 0.00 -1.70 -1.13 0.09 0.00 0.00 178.44 175.60 3cmr n SER 110 N -2.88 0.32 0.00 0.11 3.41 -0.91 -3.25 113.62 110.42 3cmr n SER 110 Ca 0.04 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3cmr n SER 110 Cb 0.46 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 3cmr n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3cmr n THR 111 N -2.49 0.00 -1.00 6.66 -2.24 0.52 -0.38 114.28 115.35 3cmr n THR 111 Ca -0.06 -0.08 -0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3cmr n THR 111 Cb 0.65 0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3cmr n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cmr n GLY 112 N 2.02 0.46 3.19 3.38 0.00 0.57 -4.90 105.19 109.92 3cmr n GLY 112 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3cmr n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cmr s VAL 113 N -2.00 1.87 0.80 1.61 0.11 -1.25 -4.94 120.40 116.60 3cmr s VAL 113 Ca 0.00 -0.93 -0.13 0.00 -2.93 0.00 0.00 61.98 58.00 3cmr s VAL 113 Cb 0.00 -1.62 0.08 0.00 -1.53 0.00 0.00 36.38 33.31 3cmr s VAL 113 CO 0.00 0.52 1.18 -0.54 -3.33 0.00 0.00 175.10 172.93 3cmr s LYS 114 N 0.27 1.75 0.23 1.54 -0.14 -1.26 -3.79 119.74 118.34 3cmr s LYS 114 Ca -0.14 1.66 -0.08 0.00 -1.36 0.00 0.00 55.97 56.05 3cmr s LYS 114 Cb -0.16 -1.80 0.03 0.00 -1.68 0.00 0.00 37.83 34.22 3cmr s LYS 114 CO 0.07 -2.11 0.45 -2.37 -0.76 0.00 0.00 175.35 170.63 3cmr n THR 115 N -3.30 0.00 -3.48 2.17 5.66 -1.26 -4.52 114.28 109.55 3cmr n THR 115 Ca 0.13 -0.67 -0.28 0.00 -3.05 0.00 0.00 64.05 60.18 3cmr n THR 115 Cb 0.51 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.87 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 -4.72 3.48 0.19 1.09 1.13 -1.25 -1.44 117.35 115.83 3cmr s TYR 116 Ca 0.11 0.51 -0.33 0.00 -1.41 0.00 0.00 57.07 55.96 3cmr s TYR 116 Cb -0.03 -2.00 -0.13 0.00 -1.10 0.00 0.00 41.96 38.71 3cmr s TYR 116 CO 0.08 0.25 1.69 0.09 -2.51 0.00 0.00 175.55 175.15 3cmr n ASN 117 N -0.87 3.76 0.00 -0.18 3.02 -1.26 -1.60 115.26 118.14 3cmr n ASN 117 Ca -0.03 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 3cmr n ASN 117 Cb 0.54 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 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 3.83 0.62 3.76 7.41 0.00 -1.26 -4.95 105.19 114.59 3cmr n GLY 118 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.26 3.37 -0.25 4.61 0.00 -0.63 0.43 121.76 127.04 3cmr s ALA 119 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3cmr s ALA 119 Cb 0.00 -3.08 0.06 0.00 0.00 0.00 0.00 23.12 20.10 3cmr s ALA 119 CO 0.00 0.17 -0.07 -0.51 0.00 0.00 0.00 175.76 175.35 3cmr s LEU 120 N -0.71 2.97 -0.55 0.00 1.43 -0.75 -3.35 118.68 117.72 3cmr s LEU 120 Ca 0.39 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3cmr s LEU 120 Cb -0.23 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3cmr s LEU 120 CO 0.27 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3cmr n GLY 121 N 4.57 0.72 3.40 -3.19 0.00 -1.25 0.25 105.19 109.69 3cmr n GLY 121 Ca -0.12 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.95 1.82 0.24 1.61 -7.23 -1.26 -1.47 120.40 112.17 3cmr s VAL 122 Ca 0.00 -2.21 0.03 0.00 -1.81 0.00 0.00 61.98 57.99 3cmr s VAL 122 Cb 0.00 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.72 3cmr s VAL 122 CO 0.00 -0.44 0.33 -0.90 -0.31 0.00 0.00 175.10 173.79 3cmr n ASP 123 N -0.51 0.75 0.16 4.85 5.68 -0.62 -4.79 116.55 122.08 3cmr n ASP 123 Ca -0.06 -1.56 0.12 0.00 -0.50 0.00 0.00 54.79 52.79 3cmr n ASP 123 Cb 0.62 -0.19 0.57 0.00 -1.14 0.00 0.00 41.12 40.98 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 -0.09 0.00 -0.17 2.12 3.07 -1.91 -0.12 117.51 120.41 3cmr h ILE 124 Ca -0.11 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.14 3cmr h ILE 124 Cb 0.49 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 3cmr h ILE 124 CO 0.15 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.66 3cmr n HIS 125 N -2.34 0.20 -1.84 0.16 8.25 -1.26 -4.92 115.22 113.47 3cmr n HIS 125 Ca 0.00 -0.10 -0.12 0.00 -0.26 0.00 0.00 57.72 57.25 3cmr n HIS 125 Cb 0.15 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 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 0.65 -0.88 -3.36 -0.41 1.02 -0.06 -5.02 120.64 112.58 3cmr n GLU 126 Ca 0.17 0.71 -0.38 0.00 -0.02 0.00 0.00 57.16 57.65 3cmr n GLU 126 Cb 0.42 -4.80 -0.06 0.00 -0.02 0.00 0.00 31.44 26.98 3cmr n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3cmr s LYS 127 N -3.90 4.28 0.38 3.49 2.20 -1.26 -4.76 119.74 120.17 3cmr s LYS 127 Ca 0.00 0.41 -0.27 0.00 -0.36 0.00 0.00 55.97 55.75 3cmr s LYS 127 Cb 0.00 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.82 3cmr s LYS 127 CO 0.00 0.24 1.42 -0.51 -0.36 0.00 0.00 175.35 176.14 3cmr s ASP 128 N 0.36 6.34 0.00 1.43 1.11 -1.26 -1.58 116.67 123.06 3cmr s ASP 128 Ca 0.25 2.91 0.03 0.00 0.18 0.00 0.00 52.55 55.92 3cmr s ASP 128 Cb -0.15 -2.66 -0.01 0.00 1.07 0.00 0.00 42.92 41.17 3cmr s ASP 128 CO 0.10 -0.86 -0.10 -1.00 1.18 0.00 0.00 175.17 174.49 3cmr s HIS 129 N -1.16 0.92 0.47 4.23 3.76 -0.54 -4.92 115.29 118.05 3cmr s HIS 129 Ca 0.54 -0.20 -0.24 0.00 -0.15 0.00 0.00 55.06 55.00 3cmr s HIS 129 Cb -0.44 -0.58 -0.07 0.00 1.11 0.00 0.00 32.58 32.60 3cmr s HIS 129 CO 0.58 -0.01 1.36 -2.14 -0.85 0.00 0.00 174.74 173.68 3cmr s PRO 130 N -0.40 3.58 0.26 8.40 0.02 -1.26 -4.82 135.00 140.78 3cmr s PRO 130 Ca 0.03 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.35 3cmr s PRO 130 Cb -0.05 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 3cmr s PRO 130 CO -0.00 -0.85 0.42 0.95 -0.33 0.00 0.00 177.00 177.19 3cmr s THR 131 N -1.27 5.21 0.33 0.99 -4.23 -1.26 -4.38 115.64 111.04 3cmr s THR 131 Ca 0.63 -0.75 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 3cmr s THR 131 Cb -0.41 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 69.89 3cmr s THR 131 CO 0.51 -0.37 1.92 -0.29 -0.54 0.00 0.00 174.62 175.85 3cmr h ILE 132 N 1.11 0.99 -0.54 2.99 6.09 -1.04 -0.64 117.51 126.47 3cmr h ILE 132 Ca -0.51 -0.29 -0.09 0.00 -1.37 0.00 0.00 64.86 62.60 3cmr h ILE 132 Cb 1.22 0.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.55 3cmr h ILE 132 CO 0.62 0.16 -0.01 0.25 -3.07 0.00 0.00 178.15 176.10 3cmr h LEU 133 N 0.86 0.91 -0.46 2.19 6.46 -1.85 0.12 115.31 123.53 3cmr h LEU 133 Ca 0.38 -0.24 -0.12 0.00 -0.12 0.00 0.00 57.88 57.77 3cmr h LEU 133 Cb 0.34 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3cmr h LEU 133 CO -0.15 0.97 -0.19 -0.33 -0.62 0.00 0.00 178.44 178.12 3cmr h GLU 134 N 0.86 0.94 -0.22 1.25 5.08 -1.64 -1.88 114.58 118.98 3cmr h GLU 134 Ca 0.16 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3cmr h GLU 134 Cb 0.52 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3cmr h GLU 134 CO 0.03 1.06 -0.09 0.52 -1.00 0.00 0.00 179.01 179.54 3cmr h MET 135 N 0.79 0.44 -0.12 2.33 2.86 -0.92 -1.54 114.93 118.77 3cmr h MET 135 Ca 0.11 -0.18 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3cmr h MET 135 Cb 0.77 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.35 3cmr h MET 135 CO 0.06 0.71 -0.32 0.00 1.06 0.00 0.00 176.91 178.42 3cmr h ALA 136 N 0.72 -0.38 -0.54 6.32 0.00 -0.65 -1.50 119.26 123.24 3cmr h ALA 136 Ca 0.05 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3cmr h ALA 136 Cb 0.57 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3cmr h ALA 136 CO 0.03 -0.80 0.33 -0.22 0.00 0.00 0.00 179.25 178.59 3cmr h LYS 137 N -0.40 0.63 -0.68 0.00 3.64 -1.33 -0.84 116.57 117.59 3cmr h LYS 137 Ca 0.09 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 3cmr h LYS 137 Cb 0.55 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3cmr h LYS 137 CO -0.35 0.42 0.45 0.00 -2.27 0.00 0.00 179.45 177.71 3cmr h ALA 138 N 1.23 2.05 -0.11 5.00 0.00 -0.57 -0.42 119.26 126.45 3cmr h ALA 138 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3cmr h ALA 138 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3cmr h ALA 138 CO -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 178.94 3cmr n ALA 139 N -2.52 2.54 -0.46 0.00 0.00 -0.39 -4.89 120.51 114.79 3cmr n ALA 139 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3cmr n ALA 139 Cb 0.44 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.91 0.74 3.79 0.00 0.00 -0.17 -5.05 105.19 105.41 3cmr n GLY 140 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 0.50 0.99 1.02 -0.75 -4.73 118.68 119.83 3cmr s LEU 141 Ca 0.00 1.95 -0.20 0.00 0.02 0.00 0.00 54.13 55.90 3cmr s LEU 141 Cb 0.00 -4.23 -0.07 0.00 0.02 0.00 0.00 46.19 41.91 3cmr s LEU 141 CO 0.00 -0.43 1.09 0.00 0.02 0.00 0.00 176.35 177.03 3cmr s ALA 142 N -1.74 2.81 -0.01 4.21 0.00 0.99 -3.96 121.76 124.06 3cmr s ALA 142 Ca 0.58 0.75 0.03 0.00 0.00 0.00 0.00 51.96 53.32 3cmr s ALA 142 Cb -0.19 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 3cmr s ALA 142 CO 0.25 -0.55 -0.10 0.95 0.00 0.00 0.00 175.76 176.30 3cmr s THR 143 N -1.82 0.82 -0.00 0.00 -4.23 -1.26 -0.28 115.64 108.87 3cmr s THR 143 Ca 0.69 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3cmr s THR 143 Cb -0.21 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 3cmr s THR 143 CO 0.25 0.24 -0.07 -0.83 -0.54 0.00 0.00 174.62 173.67 3cmr s GLY 144 N -0.11 0.33 -0.19 3.99 0.00 0.15 -1.99 107.32 109.50 3cmr s GLY 144 Ca 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.39 3cmr s GLY 144 CO -0.00 -0.26 0.07 0.21 0.00 0.00 0.00 173.10 173.11 3cmr s ASN 145 N -0.22 2.69 -0.03 1.64 3.84 0.12 -0.85 114.94 122.13 3cmr s ASN 145 Ca 0.02 -0.76 0.03 0.00 0.21 0.00 0.00 52.86 52.36 3cmr s ASN 145 Cb -0.03 -0.42 0.00 0.00 -0.55 0.00 0.00 41.25 40.26 3cmr s ASN 145 CO -0.00 -0.34 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.16 3cmr s VAL 146 N 2.00 1.01 -0.01 -5.21 1.01 0.02 -0.97 120.40 118.25 3cmr s VAL 146 Ca 0.01 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3cmr s VAL 146 Cb -0.17 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3cmr s VAL 146 CO -0.10 0.30 0.47 -0.55 0.00 0.00 0.00 175.10 175.22 3cmr s SER 147 N 0.13 -0.38 0.00 3.32 0.15 0.02 -1.42 113.70 115.52 3cmr s SER 147 Ca -0.03 0.27 0.28 0.00 0.70 0.00 0.00 55.95 57.17 3cmr s SER 147 Cb -0.09 0.42 1.05 0.00 -1.71 0.00 0.00 66.02 65.69 3cmr s SER 147 CO 0.01 -0.57 1.76 0.35 1.20 0.00 0.00 173.24 176.00 3cmr n THR 148 N 0.92 0.00 -2.38 6.45 -2.24 -0.89 -3.93 114.28 112.22 3cmr n THR 148 Ca -0.20 -0.04 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 3cmr n THR 148 Cb 0.57 -0.08 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.69 3.41 0.23 6.98 0.00 -1.26 -1.16 121.76 127.27 3cmr s ALA 149 Ca 0.22 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 3cmr s ALA 149 Cb 0.19 -2.36 -0.15 0.00 0.00 0.00 0.00 23.12 20.80 3cmr s ALA 149 CO 0.54 -1.22 0.92 0.39 0.00 0.00 0.00 175.76 176.39 3cmr n GLU 150 N -2.78 0.90 0.27 0.00 1.02 -1.24 -1.47 120.64 117.34 3cmr n GLU 150 Ca 0.09 0.32 0.15 0.00 -0.02 0.00 0.00 57.16 57.71 3cmr n GLU 150 Cb 0.60 -1.63 0.71 0.00 -0.02 0.00 0.00 31.44 31.10 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 2.09 0.00 -0.24 -4.62 3.38 -1.56 -0.86 115.31 113.51 3cmr h LEU 151 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3cmr h LEU 151 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3cmr h LEU 151 CO 0.62 0.08 0.00 0.00 0.09 0.00 0.00 178.44 179.23 3cmr n GLN 152 N -3.28 0.20 -0.66 1.13 3.00 -1.26 -3.40 117.38 113.10 3cmr n GLN 152 Ca -0.00 0.26 -0.30 0.00 -0.01 0.00 0.00 57.00 56.95 3cmr n GLN 152 Cb 0.29 -1.78 0.19 0.00 0.00 0.00 0.00 30.24 28.95 3cmr n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3cmr s ASP 153 N -4.18 2.33 0.29 1.08 2.15 -0.33 -4.64 116.67 113.38 3cmr s ASP 153 Ca 0.09 1.97 -0.02 0.00 0.43 0.00 0.00 52.55 55.02 3cmr s ASP 153 Cb 0.12 -2.48 0.42 0.00 -0.30 0.00 0.00 42.92 40.68 3cmr s ASP 153 CO 0.50 -3.43 1.89 0.00 -0.17 0.00 0.00 175.17 173.96 3cmr h ALA 154 N -2.10 1.31 0.31 3.66 0.00 -1.89 -1.53 119.26 119.02 3cmr h ALA 154 Ca -0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3cmr h ALA 154 Cb 1.29 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3cmr h ALA 154 CO 0.45 0.54 -0.15 1.15 0.00 0.00 0.00 179.25 181.23 3cmr h THR 155 N 0.94 0.60 -0.37 0.00 2.02 -1.90 -1.19 112.91 113.01 3cmr h THR 155 Ca 0.23 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 3cmr h THR 155 Cb 0.10 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3cmr h THR 155 CO -0.03 0.12 -0.08 1.55 0.37 0.00 0.00 175.52 177.45 3cmr h PRO 156 N -0.87 0.63 -0.13 6.66 0.13 -1.81 -3.21 132.00 133.40 3cmr h PRO 156 Ca -0.04 -0.18 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 3cmr h PRO 156 Cb 0.52 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3cmr h PRO 156 CO 0.07 0.71 -0.26 0.00 -0.23 0.00 0.00 178.00 178.29 3cmr h ALA 157 N 1.33 1.33 -0.03 -0.56 0.00 -1.19 -2.65 119.26 117.49 3cmr h ALA 157 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3cmr h ALA 157 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3cmr h ALA 157 CO 0.03 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.77 3cmr h ALA 158 N 1.53 1.61 0.00 0.00 0.00 -1.21 0.40 119.26 121.58 3cmr h ALA 158 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cmr h ALA 158 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3cmr h ALA 158 CO 0.04 -0.05 -0.00 -0.07 0.00 0.00 0.00 179.25 179.17 3cmr h LEU 159 N 0.00 0.00 0.00 0.00 3.38 -1.63 -3.40 115.31 113.66 3cmr h LEU 159 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cmr h LEU 159 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3cmr h LEU 159 CO -0.00 0.00 -0.58 1.33 0.09 0.00 0.00 178.44 179.28 3cmr n VAL 160 N -3.10 0.00 -4.90 1.22 0.24 -0.36 -4.48 118.33 106.95 3cmr n VAL 160 Ca 0.04 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 3cmr n VAL 160 Cb 0.51 0.41 -0.15 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.24 2.13 -0.36 2.33 0.00 0.13 -4.15 121.76 120.59 3cmr s ALA 161 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3cmr s ALA 161 Cb 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 23.12 22.77 3cmr s ALA 161 CO 0.00 0.50 0.08 -1.01 0.00 0.00 0.00 175.76 175.33 3cmr s HIS 162 N -0.77 3.69 0.02 0.00 0.09 -1.25 -3.84 115.29 113.24 3cmr s HIS 162 Ca 0.11 -3.02 -0.01 0.00 -0.00 0.00 0.00 55.06 52.13 3cmr s HIS 162 Cb -0.10 -2.92 -0.02 0.00 -0.00 0.00 0.00 32.58 29.54 3cmr s HIS 162 CO 0.02 -0.92 -0.00 0.14 -0.00 0.00 0.00 174.74 173.97 3cmr s VAL 163 N 0.75 0.13 -0.62 -0.90 -7.23 0.14 -4.94 120.40 107.73 3cmr s VAL 163 Ca 0.12 -1.05 0.25 0.00 -1.81 0.00 0.00 61.98 59.49 3cmr s VAL 163 Cb -0.20 -0.52 0.30 0.00 0.56 0.00 0.00 36.38 36.52 3cmr s VAL 163 CO -0.07 -0.58 1.74 0.71 -0.31 0.00 0.00 175.10 176.59 3cmr h THR 164 N 4.30 0.00 -3.48 5.32 1.35 -1.89 -2.01 112.91 116.50 3cmr h THR 164 Ca -0.32 -0.60 -0.24 0.00 -0.55 0.00 0.00 66.41 64.69 3cmr h THR 164 Cb 1.20 1.58 -0.30 0.00 -1.73 0.00 0.00 68.15 68.90 3cmr h THR 164 CO 0.46 0.00 -0.66 -0.55 -0.25 0.00 0.00 175.52 174.52 3cmr s SER 165 N -4.98 -0.04 0.00 5.36 0.15 -1.25 -4.47 113.70 108.46 3cmr s SER 165 Ca 0.09 0.15 0.10 0.00 0.70 0.00 0.00 55.95 56.99 3cmr s SER 165 Cb 0.10 0.09 0.51 0.00 -1.71 0.00 0.00 66.02 65.01 3cmr s SER 165 CO 0.60 -0.08 1.21 -1.54 1.20 0.00 0.00 173.24 174.62 3cmr n SER 166 N 3.64 0.00 0.07 5.45 3.41 0.17 -2.24 113.62 124.12 3cmr n SER 166 Ca -0.20 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 3cmr n SER 166 Cb 0.55 -0.28 0.47 0.00 -0.26 0.00 0.00 64.21 64.69 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 -1.28 0.18 -0.93 4.33 5.02 -1.26 -4.57 118.16 119.65 3cmr n LYS 167 Ca 0.05 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 3cmr n LYS 167 Cb 0.08 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.35 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 6.18 0.09 -3.17 0.00 -1.99 -1.89 -1.56 116.97 114.62 3cmr h TYR 169 Ca 0.57 -0.02 -0.17 0.00 2.00 0.00 0.00 58.73 61.12 3cmr h TYR 169 Cb 0.25 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.92 3cmr h TYR 169 CO 1.86 0.42 -0.15 0.41 -0.00 0.00 0.00 178.16 180.70 3cmr n GLY 170 N -0.10 3.72 0.36 3.88 0.00 -1.26 -1.77 105.19 110.02 3cmr n GLY 170 Ca -0.07 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.19 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 0.81 -0.14 1.61 0.11 -1.91 -1.97 132.00 130.52 3cmr h PRO 171 Ca -0.09 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.90 3cmr h PRO 171 Cb 0.39 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3cmr h PRO 171 CO 0.13 0.54 -0.22 0.66 -0.21 0.00 0.00 178.00 178.90 3cmr h SER 172 N 0.84 0.44 -0.58 -2.05 4.64 -1.97 -1.63 113.55 113.24 3cmr h SER 172 Ca 0.39 -0.53 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3cmr h SER 172 Cb 0.39 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3cmr h SER 172 CO -0.15 0.88 0.37 0.00 -0.87 0.00 0.00 176.83 177.06 3cmr h ALA 173 N 0.57 0.74 -0.18 5.18 0.00 -1.83 -2.73 119.26 121.00 3cmr h ALA 173 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3cmr h ALA 173 Cb 0.79 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3cmr h ALA 173 CO 0.05 0.13 0.02 1.15 0.00 0.00 0.00 179.25 180.60 3cmr h THR 174 N 0.75 1.23 -0.99 0.00 2.02 -1.27 0.21 112.91 114.87 3cmr h THR 174 Ca 0.22 -0.77 0.08 0.00 0.77 0.00 0.00 66.41 66.71 3cmr h THR 174 Cb -0.04 1.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 3cmr h THR 174 CO -0.07 0.23 0.64 0.28 0.37 0.00 0.00 175.52 176.97 3cmr h SER 175 N 0.08 0.99 -0.02 4.18 0.02 -1.24 0.17 113.55 117.73 3cmr h SER 175 Ca 0.05 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3cmr h SER 175 Cb 0.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3cmr h SER 175 CO 0.01 0.61 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.06 3cmr h GLU 176 N 1.11 0.15 0.00 3.45 4.81 -1.14 -3.37 114.58 119.58 3cmr h GLU 176 Ca 0.44 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3cmr h GLU 176 Cb 0.25 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3cmr h GLU 176 CO -0.19 0.82 -1.73 1.63 -0.73 0.00 0.00 179.01 178.80 3cmr n LYS 177 N -4.59 0.77 -3.13 1.92 5.02 0.70 -4.62 118.16 114.24 3cmr n LYS 177 Ca -0.09 -0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 55.87 3cmr n LYS 177 Cb 0.43 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 3.26 0.13 0.00 0.00 0.13 -1.70 0.22 132.00 134.04 3cmr h PRO 179 Ca 0.12 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 3cmr h PRO 179 Cb 0.76 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3cmr h PRO 179 CO 0.65 0.09 -0.14 0.78 -0.23 0.00 0.00 178.00 179.15 3cmr h GLY 180 N 0.14 0.00 0.85 1.56 0.00 -1.93 -3.02 103.07 100.66 3cmr h GLY 180 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3cmr h GLY 180 CO -0.02 0.00 -0.96 0.70 0.00 0.00 0.00 176.54 176.26 3cmr n ASN 181 N -3.47 0.67 -4.73 0.19 5.03 0.72 -4.01 115.26 109.66 3cmr n ASN 181 Ca -0.01 0.06 -0.42 0.00 0.87 0.00 0.00 54.58 55.07 3cmr n ASN 181 Cb 0.30 0.57 -0.02 0.00 -1.02 0.00 0.00 39.78 39.61 3cmr n ASN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cmr n ALA 182 N -1.95 2.43 -0.27 5.41 0.00 -0.83 -0.02 120.51 125.27 3cmr n ALA 182 Ca 0.01 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.81 3cmr n ALA 182 Cb 0.48 -2.46 0.08 0.00 0.00 0.00 0.00 19.45 17.56 3cmr n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3cmr h LEU 183 N 5.29 0.79 0.00 0.00 5.85 -1.90 -0.13 115.31 125.20 3cmr h LEU 183 Ca -0.46 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3cmr h LEU 183 Cb 1.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3cmr h LEU 183 CO 0.84 0.55 0.00 -1.84 -0.34 0.00 0.00 178.44 177.64 3cmr n GLU 184 N -4.62 0.15 -0.24 1.25 0.00 -1.26 -1.41 120.64 114.51 3cmr n GLU 184 Ca 0.08 0.17 0.09 0.00 0.00 0.00 0.00 57.16 57.50 3cmr n GLU 184 Cb 0.08 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.24 3cmr n GLU 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3cmr n LYS 185 N -1.35 2.59 -0.61 3.44 4.76 -0.14 -4.97 118.16 121.88 3cmr n LYS 185 Ca 0.06 -2.27 0.00 0.00 -2.87 0.00 0.00 58.31 53.23 3cmr n LYS 185 Cb 0.14 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 3cmr n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cmr n GLY 186 N 1.14 0.68 3.98 0.72 0.00 -0.50 -4.95 105.19 106.26 3cmr n GLY 186 Ca 0.18 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.12 1.76 0.37 -0.02 0.00 -0.72 -5.00 107.32 101.60 3cmr s GLY 187 Ca 0.00 -1.66 0.26 0.00 0.00 0.00 0.00 44.72 43.33 3cmr s GLY 187 CO 0.00 -1.03 1.76 0.50 0.00 0.00 0.00 173.10 174.33 3cmr h LYS 188 N -0.79 0.00 0.00 2.90 1.57 -1.81 -3.38 116.57 115.07 3cmr h LYS 188 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3cmr h LYS 188 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3cmr h LYS 188 CO 0.39 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 3cmr n GLY 189 N 0.74 0.89 3.46 3.86 0.00 0.97 -4.51 105.19 110.61 3cmr n GLY 189 Ca 0.03 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 3cmr n GLY 189 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cmr n SER 190 N 0.00 -1.69 -0.22 1.61 3.41 -1.26 -4.64 113.62 110.83 3cmr n SER 190 Ca 0.00 -0.13 0.02 0.00 -0.26 0.00 0.00 58.87 58.50 3cmr n SER 190 Cb 0.00 -1.25 0.13 0.00 -0.26 0.00 0.00 64.21 62.84 3cmr n SER 190 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3cmr h ILE 191 N -2.60 0.75 -0.27 -1.33 2.04 -1.33 0.75 117.51 115.52 3cmr h ILE 191 Ca -0.60 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 3cmr h ILE 191 Cb 1.33 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3cmr h ILE 191 CO 0.48 0.08 -0.18 0.74 0.00 0.00 0.00 178.15 179.26 3cmr h THR 192 N 0.44 1.30 -0.76 -0.27 2.02 -1.60 0.18 112.91 114.22 3cmr h THR 192 Ca 0.34 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 3cmr h THR 192 Cb 0.44 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 3cmr h THR 192 CO -0.33 0.41 0.47 -0.33 0.37 0.00 0.00 175.52 176.11 3cmr h GLU 193 N 0.32 1.02 -0.52 6.66 5.08 -1.75 -1.77 114.58 123.63 3cmr h GLU 193 Ca 0.05 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3cmr h GLU 193 Cb 0.72 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3cmr h GLU 193 CO 0.05 0.71 -0.06 1.96 -1.00 0.00 0.00 179.01 180.67 3cmr h GLN 194 N 1.03 0.96 -0.67 2.33 4.20 -0.66 -2.27 115.11 120.03 3cmr h GLN 194 Ca 0.27 -0.34 0.11 0.00 0.06 0.00 0.00 58.65 58.75 3cmr h GLN 194 Cb -0.06 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.57 3cmr h GLN 194 CO -0.05 1.00 0.27 1.25 -0.67 0.00 0.00 178.83 180.63 3cmr h LEU 195 N 0.82 0.29 -0.71 1.46 6.46 -0.58 -0.03 115.31 123.03 3cmr h LEU 195 Ca 0.14 0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.89 3cmr h LEU 195 Cb 0.61 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 3cmr h LEU 195 CO 0.04 0.15 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.92 3cmr h LEU 196 N 0.46 0.95 -0.76 2.25 -0.00 -1.17 -2.45 115.31 114.57 3cmr h LEU 196 Ca 0.34 -0.27 -0.07 0.00 -0.00 0.00 0.00 57.88 57.89 3cmr h LEU 196 Cb 0.44 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.82 3cmr h LEU 196 CO -0.32 1.02 0.17 0.78 -0.00 0.00 0.00 178.44 180.08 3cmr h ASN 197 N 0.88 1.05 -0.36 -0.43 2.35 -0.78 -3.14 115.58 115.14 3cmr h ASN 197 Ca 0.16 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 3cmr h ASN 197 Cb 0.55 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3cmr h ASN 197 CO 0.03 1.00 0.05 0.00 -1.65 0.00 0.00 177.43 176.86 3cmr h ALA 198 N 1.13 1.25 -5.97 -0.83 0.00 -0.57 -3.47 119.26 110.80 3cmr h ALA 198 Ca 0.22 -0.22 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 3cmr h ALA 198 Cb 0.36 -0.18 0.09 0.00 0.00 0.00 0.00 17.79 18.06 3cmr h ALA 198 CO 0.00 0.51 -0.82 -2.13 0.00 0.00 0.00 179.25 176.81 3cmr n ARG 199 N -4.26 -5.19 -1.57 0.00 0.63 -1.00 -4.94 116.66 100.33 3cmr n ARG 199 Ca 0.03 0.68 -0.38 0.00 -0.92 0.00 0.00 57.85 57.26 3cmr n ARG 199 Cb 0.25 -5.34 0.05 0.00 0.45 0.00 0.00 32.46 27.87 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 -4.21 -0.24 -0.27 5.13 0.00 -1.26 -4.90 120.51 114.75 3cmr n ALA 200 Ca -0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 3cmr n ALA 200 Cb 0.67 -2.02 0.11 0.00 0.00 0.00 0.00 19.45 18.22 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 0.41 1.04 -3.24 0.00 3.32 -1.70 -3.42 116.42 112.83 3cmr h ASP 201 Ca -0.47 -0.13 -0.45 0.00 0.02 0.00 0.00 57.03 55.99 3cmr h ASP 201 Cb 1.38 -0.27 -0.38 0.00 0.22 0.00 0.00 39.33 40.28 3cmr h ASP 201 CO 0.50 0.89 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.44 3cmr s VAL 202 N -5.61 0.47 -0.09 -1.35 1.01 -0.87 -0.48 120.40 113.48 3cmr s VAL 202 Ca -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3cmr s VAL 202 Cb 0.16 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.95 3cmr s VAL 202 CO 0.82 0.26 -0.03 -0.89 0.00 0.00 0.00 175.10 175.26 3cmr s THR 203 N 1.93 0.67 -0.05 3.92 2.01 -0.63 -0.70 115.64 122.79 3cmr s THR 203 Ca 0.05 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 3cmr s THR 203 Cb -0.12 -0.77 0.03 0.00 0.01 0.00 0.00 72.50 71.65 3cmr s THR 203 CO -0.06 0.31 0.02 -0.76 -0.69 0.00 0.00 174.62 173.45 3cmr s LEU 204 N 1.85 0.48 0.00 4.42 1.43 -0.15 -0.08 118.68 126.63 3cmr s LEU 204 Ca 0.05 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3cmr s LEU 204 Cb -0.12 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.80 3cmr s LEU 204 CO -0.07 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3cmr n GLY 205 N 5.10 0.96 0.00 -3.19 0.00 -0.72 -0.80 105.19 106.54 3cmr n GLY 205 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.38 1.14 -0.02 0.00 -0.54 -0.48 105.19 106.67 3cmr n GLY 206 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 1.01 0.29 -0.02 0.00 -0.71 -1.46 105.19 109.30 3cmr n GLY 207 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 1.63 -0.84 4.61 0.00 -0.80 -3.25 119.26 120.61 3cmr h ALA 208 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3cmr h ALA 208 Cb 0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3cmr h ALA 208 CO 0.00 0.30 0.47 1.57 0.00 0.00 0.00 179.25 181.58 3cmr h LYS 209 N 0.46 1.17 0.00 0.00 2.10 -1.62 -0.97 116.57 117.71 3cmr h LYS 209 Ca 0.12 -0.13 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 3cmr h LYS 209 Cb 0.08 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.17 3cmr h LYS 209 CO -0.01 0.85 -0.19 1.15 -2.00 0.00 0.00 179.45 179.24 3cmr h THR 210 N 1.17 0.69 0.00 0.07 2.02 -1.82 -1.88 112.91 113.16 3cmr h THR 210 Ca 0.30 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3cmr h THR 210 Cb 0.02 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3cmr h THR 210 CO -0.05 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.52 3cmr n PHE 211 N -3.65 0.27 1.39 3.16 3.01 -0.37 -1.83 117.46 119.44 3cmr n PHE 211 Ca -0.01 0.12 0.14 0.00 1.01 0.00 0.00 57.45 58.71 3cmr n PHE 211 Cb 0.32 -0.69 0.65 0.00 -0.01 0.00 0.00 39.48 39.76 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 2.67 -1.77 4.37 0.00 -0.71 -1.15 120.51 122.33 3cmr n ALA 212 Ca 0.02 -0.22 -0.32 0.00 0.00 0.00 0.00 53.44 52.93 3cmr n ALA 212 Cb 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.55 3.53 0.05 0.00 2.02 -0.76 -4.75 118.70 116.25 3cmr s GLU 213 Ca 0.28 0.92 0.05 0.00 0.02 0.00 0.00 54.97 56.24 3cmr s GLU 213 Cb 0.20 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 3cmr s GLU 213 CO 0.48 -0.62 -0.09 0.95 0.02 0.00 0.00 175.26 176.00 3cmr s THR 214 N -2.87 3.47 0.34 3.63 -4.23 -1.26 -0.84 115.64 113.87 3cmr s THR 214 Ca 0.58 -1.01 -0.26 0.00 -1.18 0.00 0.00 61.69 59.82 3cmr s THR 214 Cb -0.12 -2.55 -0.09 0.00 1.34 0.00 0.00 72.50 71.08 3cmr s THR 214 CO 0.45 0.28 1.05 0.00 -0.54 0.00 0.00 174.62 175.86 3cmr s ALA 215 N -1.08 3.22 -1.60 3.99 0.00 -0.84 -4.81 121.76 120.64 3cmr s ALA 215 Ca 0.19 0.75 0.25 0.00 0.00 0.00 0.00 51.96 53.15 3cmr s ALA 215 Cb -0.11 -3.28 0.56 0.00 0.00 0.00 0.00 23.12 20.28 3cmr s ALA 215 CO 0.10 -0.14 1.44 0.25 0.00 0.00 0.00 175.76 177.41 3cmr n THR 216 N 0.51 0.00 -3.86 0.00 -2.24 -1.26 -1.40 114.28 106.03 3cmr n THR 216 Ca 0.02 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 3cmr n THR 216 Cb 0.48 0.51 0.02 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.78 -2.47 0.00 6.98 0.00 -1.26 -4.85 120.51 118.13 3cmr n ALA 217 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3cmr n ALA 217 Cb 0.36 0.59 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.67 -2.25 0.37 0.00 0.00 -1.26 -3.26 105.19 98.12 3cmr n GLY 218 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 1.22 -0.85 1.61 4.81 -2.02 -2.76 114.58 116.59 3cmr h GLU 219 Ca 0.00 -0.07 -0.49 0.00 -0.13 0.00 0.00 59.36 58.67 3cmr h GLU 219 Cb 0.00 -0.28 -0.27 0.00 0.63 0.00 0.00 28.75 28.83 3cmr h GLU 219 CO 0.00 0.81 0.46 0.91 -0.73 0.00 0.00 179.01 180.46 3cmr n TRP 220 N -4.43 2.67 -1.81 0.92 8.01 -1.26 -4.99 117.44 116.55 3cmr n TRP 220 Ca 0.13 -2.13 -0.41 0.00 -1.31 0.00 0.00 57.50 53.78 3cmr n TRP 220 Cb 0.08 -0.94 -0.00 0.00 -2.01 0.00 0.00 31.31 28.44 3cmr n TRP 220 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 3cmr s GLN 221 N -3.45 4.12 0.00 -0.99 1.03 -1.04 -2.71 119.66 116.62 3cmr s GLN 221 Ca 0.56 2.56 0.00 0.00 0.04 0.00 0.00 55.36 58.52 3cmr s GLN 221 Cb 0.47 -2.98 0.00 0.00 0.03 0.00 0.00 33.01 30.53 3cmr s GLN 221 CO 0.05 -0.54 0.00 0.41 -2.54 0.00 0.00 175.29 172.67 3cmr n GLY 222 N 0.79 0.64 3.44 2.60 0.00 -0.49 -4.96 105.19 107.20 3cmr n GLY 222 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.08 1.80 0.96 1.61 1.02 -1.10 -4.91 119.74 119.03 3cmr s LYS 223 Ca 0.00 -1.14 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 3cmr s LYS 223 Cb 0.00 -2.07 0.17 0.00 -0.52 0.00 0.00 37.83 35.40 3cmr s LYS 223 CO 0.00 0.50 1.12 0.95 -0.92 0.00 0.00 175.35 176.99 3cmr s THR 224 N -1.01 2.16 0.22 2.17 -4.23 -1.26 -1.98 115.64 111.72 3cmr s THR 224 Ca 0.15 0.05 0.17 0.00 -1.18 0.00 0.00 61.69 60.89 3cmr s THR 224 Cb -0.10 -2.13 0.11 0.00 1.34 0.00 0.00 72.50 71.72 3cmr s THR 224 CO 0.07 -0.07 1.74 -0.07 -0.54 0.00 0.00 174.62 175.74 3cmr h LEU 225 N -1.97 0.00 -0.07 4.79 3.38 0.10 -1.77 115.31 119.77 3cmr h LEU 225 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 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 0.44 0.40 0.03 -0.09 0.09 0.00 0.00 178.44 179.32 3cmr h ARG 226 N 0.00 0.10 -0.70 1.13 2.43 -1.42 -0.02 114.38 115.89 3cmr h ARG 226 Ca -0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3cmr h ARG 226 Cb 0.88 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 3cmr h ARG 226 CO 0.05 0.17 0.46 0.93 -1.51 0.00 0.00 179.97 180.08 3cmr h GLU 227 N 0.00 0.76 0.02 0.20 5.08 -1.77 0.11 114.58 118.98 3cmr h GLU 227 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3cmr h GLU 227 Cb 0.10 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3cmr h GLU 227 CO -0.00 0.51 -0.01 0.37 -1.00 0.00 0.00 179.01 178.88 3cmr h GLN 228 N 0.79 -0.02 -0.49 2.33 4.15 -0.82 0.29 115.11 121.33 3cmr h GLN 228 Ca 0.29 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.81 3cmr h GLN 228 Cb 0.16 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.77 3cmr h GLN 228 CO -0.09 0.18 -0.03 0.00 -1.93 0.00 0.00 178.83 176.96 3cmr h ALA 229 N 0.76 0.43 0.02 3.38 0.00 -0.17 -0.52 119.26 123.17 3cmr h ALA 229 Ca -0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3cmr h ALA 229 Cb 0.21 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3cmr h ALA 229 CO 0.00 -0.40 -0.01 1.96 0.00 0.00 0.00 179.25 180.80 3cmr h GLN 230 N 0.08 -0.03 -0.35 0.00 4.20 -0.83 -2.18 115.11 116.00 3cmr h GLN 230 Ca 0.25 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.06 3cmr h GLN 230 Cb 0.37 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3cmr h GLN 230 CO -0.44 0.18 0.34 0.00 -0.67 0.00 0.00 178.83 178.24 3cmr h ALA 231 N 0.74 2.09 -0.63 3.87 0.00 -0.08 -0.93 119.26 124.33 3cmr h ALA 231 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cmr h ALA 231 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3cmr h ALA 231 CO 0.00 -0.52 0.00 0.54 0.00 0.00 0.00 179.25 179.27 3cmr n ARG 232 N -3.91 3.43 -0.41 0.00 1.74 -0.24 -4.95 116.66 112.33 3cmr n ARG 232 Ca 0.06 -2.66 0.00 0.00 -0.77 0.00 0.00 57.85 54.48 3cmr n ARG 232 Cb 0.51 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.18 0.71 3.76 -0.13 0.00 -0.35 -4.97 105.19 105.38 3cmr n GLY 233 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.80 2.71 -0.15 1.61 1.51 -0.86 -4.19 117.35 115.17 3cmr s TYR 234 Ca 0.00 1.43 -0.22 0.00 -1.01 0.00 0.00 57.07 57.27 3cmr s TYR 234 Cb 0.00 -3.62 -0.03 0.00 -0.11 0.00 0.00 41.96 38.20 3cmr s TYR 234 CO 0.00 -2.13 0.69 -0.65 -1.11 0.00 0.00 175.55 172.35 3cmr s GLN 235 N -2.52 4.31 -0.20 -0.62 -0.21 0.17 -4.64 119.66 115.96 3cmr s GLN 235 Ca 0.62 0.78 -0.06 0.00 0.02 0.00 0.00 55.36 56.71 3cmr s GLN 235 Cb -0.36 -3.53 -0.03 0.00 1.00 0.00 0.00 33.01 30.09 3cmr s GLN 235 CO 0.45 -0.14 0.04 -0.51 -2.12 0.00 0.00 175.29 173.01 3cmr s LEU 236 N 1.54 3.54 0.19 2.90 1.43 -1.26 -0.11 118.68 126.90 3cmr s LEU 236 Ca 0.33 -0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 3cmr s LEU 236 Cb -0.17 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3cmr s LEU 236 CO 0.13 0.09 -0.19 0.68 0.23 0.00 0.00 176.35 177.29 3cmr s VAL 237 N 0.85 1.98 0.00 -1.59 -7.23 -0.58 -4.99 120.40 108.83 3cmr s VAL 237 Ca 0.02 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3cmr s VAL 237 Cb -0.14 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3cmr s VAL 237 CO 0.02 -0.32 0.11 -1.54 -0.31 0.00 0.00 175.10 173.06 3cmr n SER 238 N 0.10 0.23 -2.68 4.85 3.41 -1.26 -1.38 113.62 116.89 3cmr n SER 238 Ca -0.11 -0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 57.80 3cmr n SER 238 Cb 0.58 0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 64.79 3cmr n SER 238 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3cmr n ASP 239 N -0.26 -1.64 -0.08 4.04 5.68 -1.26 -4.46 116.55 118.56 3cmr n ASP 239 Ca 0.00 -2.55 -0.10 0.00 -0.50 0.00 0.00 54.79 51.64 3cmr n ASP 239 Cb 0.06 2.85 -0.02 0.00 -1.14 0.00 0.00 41.12 42.87 3cmr n ASP 239 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cmr h ALA 240 N 1.99 0.36 -0.32 2.12 0.00 -0.84 0.32 119.26 122.89 3cmr h ALA 240 Ca -0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3cmr h ALA 240 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3cmr h ALA 240 CO 0.35 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.57 3cmr h ALA 241 N 1.02 0.42 -0.58 0.00 0.00 -1.96 0.25 119.26 118.42 3cmr h ALA 241 Ca 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3cmr h ALA 241 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3cmr h ALA 241 CO -0.02 0.10 -0.07 0.66 0.00 0.00 0.00 179.25 179.93 3cmr h SER 242 N 0.36 1.06 -0.66 0.00 4.64 -1.94 -2.27 113.55 114.73 3cmr h SER 242 Ca 0.10 -0.33 0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3cmr h SER 242 Cb 0.32 -0.29 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 3cmr h SER 242 CO 0.00 1.14 0.35 0.25 -0.87 0.00 0.00 176.83 177.70 3cmr h LEU 243 N 0.95 0.49 -1.06 5.97 5.85 -0.68 -2.89 115.31 123.93 3cmr h LEU 243 Ca 0.15 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3cmr h LEU 243 Cb 0.64 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3cmr h LEU 243 CO 0.04 0.30 0.08 -1.13 -0.34 0.00 0.00 178.44 177.39 3cmr h ASN 244 N 0.62 0.70 0.12 1.25 -1.24 -0.67 -2.17 115.58 114.20 3cmr h ASN 244 Ca 0.31 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 3cmr h ASN 244 Cb 0.25 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.12 3cmr h ASN 244 CO -0.21 0.72 -0.00 0.28 -1.29 0.00 0.00 177.43 176.92 3cmr h SER 245 N 0.71 0.00 -3.19 1.15 0.02 -1.19 -3.44 113.55 107.61 3cmr h SER 245 Ca 0.15 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.58 3cmr h SER 245 Cb 0.33 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.91 3cmr h SER 245 CO 0.00 0.00 0.75 -0.69 -1.14 0.00 0.00 176.83 175.75 3cmr s VAL 246 N -4.10 2.93 -0.12 2.27 1.01 -0.82 -4.91 120.40 116.66 3cmr s VAL 246 Ca -0.04 0.73 0.11 0.00 0.00 0.00 0.00 61.98 62.77 3cmr s VAL 246 Cb 0.13 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.88 3cmr s VAL 246 CO 0.43 0.09 0.28 0.35 0.00 0.00 0.00 175.10 176.25 3cmr n THR 247 N 3.08 0.00 -3.72 3.92 -2.24 -1.26 -5.04 114.28 109.02 3cmr n THR 247 Ca 0.09 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3cmr n THR 247 Cb 0.41 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.58 0.84 -0.14 -0.78 -1.05 -1.26 -4.98 118.70 108.76 3cmr s GLU 248 Ca -0.02 -0.42 -0.08 0.00 -0.15 0.00 0.00 54.97 54.30 3cmr s GLU 248 Cb 0.07 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.18 3cmr s GLU 248 CO 0.44 -0.28 0.33 0.00 0.95 0.00 0.00 175.26 176.71 3cmr s ALA 249 N -2.42 -0.81 0.00 -0.84 0.00 -1.26 -4.89 121.76 111.54 3cmr s ALA 249 Ca -0.06 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3cmr s ALA 249 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3cmr s ALA 249 CO -0.02 -0.22 0.00 0.27 0.00 0.00 0.00 175.76 175.78 3cmr n ASN 250 N 4.11 0.00 0.24 0.00 0.23 -1.05 -4.84 115.26 113.95 3cmr n ASN 250 Ca -0.23 -0.67 0.12 0.00 -0.53 0.00 0.00 54.58 53.27 3cmr n ASN 250 Cb 0.54 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.83 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 0.00 -3.83 1.08 -1.92 0.32 115.11 110.76 3cmr h GLN 251 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3cmr h GLN 251 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3cmr h GLN 251 CO 0.00 0.16 -0.69 1.96 -0.95 0.00 0.00 178.83 179.31 3cmr h GLN 252 N 0.00 0.00 -0.71 1.46 7.50 -1.96 -3.40 115.11 118.01 3cmr h GLN 252 Ca -0.00 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.81 3cmr h GLN 252 Cb 0.59 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 27.88 3cmr h GLN 252 CO 0.02 0.27 -0.71 1.17 -1.50 0.00 0.00 178.83 178.08 3cmr n LYS 253 N -3.03 0.82 -2.02 1.46 4.81 -0.87 -4.88 118.16 114.45 3cmr n LYS 253 Ca -0.01 -2.31 -0.37 0.00 -0.87 0.00 0.00 58.31 54.76 3cmr n LYS 253 Cb 0.69 -1.35 0.03 0.00 0.02 0.00 0.00 35.03 34.41 3cmr n LYS 253 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3cmr s PRO 254 N -0.16 3.16 -0.19 1.64 0.04 0.11 -2.54 135.00 137.06 3cmr s PRO 254 Ca 0.32 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 63.16 3cmr s PRO 254 Cb 0.24 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 3cmr s PRO 254 CO -0.16 -1.07 0.12 -1.17 0.04 0.00 0.00 177.00 174.75 3cmr s LEU 255 N -3.76 4.18 -0.17 -3.56 2.96 0.36 0.45 118.68 119.14 3cmr s LEU 255 Ca 0.74 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 3cmr s LEU 255 Cb -0.32 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.34 3cmr s LEU 255 CO 0.36 0.20 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.29 3cmr s LEU 256 N 0.23 1.87 -0.20 -0.68 2.96 0.84 -1.60 118.68 122.10 3cmr s LEU 256 Ca 0.08 -0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 3cmr s LEU 256 Cb -0.11 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 3cmr s LEU 256 CO -0.01 -0.15 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.03 3cmr s GLY 257 N 1.53 1.70 -0.32 7.98 0.00 0.89 -1.53 107.32 117.56 3cmr s GLY 257 Ca 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.75 3cmr s GLY 257 CO -0.08 0.24 0.04 1.08 0.00 0.00 0.00 173.10 174.38 3cmr s LEU 258 N 1.02 3.89 0.00 0.66 1.43 -0.48 -1.76 118.68 123.45 3cmr s LEU 258 Ca 0.02 -1.91 0.17 0.00 -1.03 0.00 0.00 54.13 51.38 3cmr s LEU 258 Cb -0.14 -1.40 0.12 0.00 0.03 0.00 0.00 46.19 44.79 3cmr s LEU 258 CO 0.01 -0.37 1.03 0.49 0.23 0.00 0.00 176.35 177.74 3cmr n PHE 259 N 4.44 0.00 -3.51 0.29 3.72 0.36 -4.39 117.46 118.38 3cmr n PHE 259 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3cmr n PHE 259 Cb 0.42 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.92 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 -1.55 -1.78 0.11 4.37 0.00 -1.26 -4.95 121.76 116.70 3cmr s ALA 260 Ca 0.19 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 3cmr s ALA 260 Cb 0.14 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.29 3cmr s ALA 260 CO 0.25 -0.51 1.68 -0.44 0.00 0.00 0.00 175.76 176.75 3cmr h ASP 261 N 2.49 -0.39 0.00 0.00 3.32 -1.94 -1.14 116.42 118.76 3cmr h ASP 261 Ca -0.26 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3cmr h ASP 261 Cb 1.20 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3cmr h ASP 261 CO 0.35 -0.20 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 3cmr n GLY 262 N -1.27 1.43 3.80 2.75 0.00 -1.26 -1.99 105.19 108.66 3cmr n GLY 262 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 0.35 5.53 0.45 1.61 0.01 -1.26 -1.74 114.94 119.90 3cmr s ASN 263 Ca 0.00 1.83 -0.21 0.00 -0.71 0.00 0.00 52.86 53.77 3cmr s ASN 263 Cb 0.00 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 39.03 3cmr s ASN 263 CO 0.00 -1.34 0.98 -0.04 -1.51 0.00 0.00 177.10 175.19 3cmr s MET 264 N -4.24 4.08 0.44 -0.60 -1.94 -0.31 -4.85 119.30 111.87 3cmr s MET 264 Ca 0.63 1.21 -0.24 0.00 -1.71 0.00 0.00 55.69 55.58 3cmr s MET 264 Cb -0.17 -2.15 -0.08 0.00 2.01 0.00 0.00 34.83 34.45 3cmr s MET 264 CO 0.41 -0.17 1.17 -1.25 -0.01 0.00 0.00 175.02 175.16 3cmr s PRO 265 N -3.20 3.88 0.74 2.03 0.04 -1.26 -4.93 135.00 132.30 3cmr s PRO 265 Ca 0.64 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.36 3cmr s PRO 265 Cb -0.12 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.94 3cmr s PRO 265 CO 0.15 -0.45 1.11 0.14 0.04 0.00 0.00 177.00 177.99 3cmr s VAL 266 N -1.50 3.18 -0.07 -0.36 -7.23 -1.26 -5.01 120.40 108.15 3cmr s VAL 266 Ca 0.61 0.38 0.11 0.00 -1.81 0.00 0.00 61.98 61.27 3cmr s VAL 266 Cb -0.29 -3.35 -0.24 0.00 0.56 0.00 0.00 36.38 33.07 3cmr s VAL 266 CO 0.36 -0.50 0.58 -2.11 -0.31 0.00 0.00 175.10 173.12 3cmr n ARG 267 N -3.12 0.65 -4.23 4.82 1.85 -1.26 -4.68 116.66 110.69 3cmr n ARG 267 Ca 0.07 0.27 -0.31 0.00 -1.00 0.00 0.00 57.85 56.88 3cmr n ARG 267 Cb 0.58 -1.76 -0.08 0.00 -1.05 0.00 0.00 32.46 30.14 3cmr n ARG 267 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3cmr s TRP 268 N -2.58 3.03 -0.06 2.89 0.52 -1.26 0.10 118.94 121.58 3cmr s TRP 268 Ca -0.07 0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.08 3cmr s TRP 268 Cb 0.08 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 3cmr s TRP 268 CO 0.82 0.46 -0.03 -1.17 0.02 0.00 0.00 176.95 177.05 3cmr s LEU 269 N -1.88 3.37 0.10 2.99 2.96 0.19 -4.03 118.68 122.38 3cmr s LEU 269 Ca 0.22 0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.90 3cmr s LEU 269 Cb -0.12 -1.80 0.08 0.00 0.50 0.00 0.00 46.19 44.85 3cmr s LEU 269 CO 0.14 0.35 0.82 -0.83 -1.32 0.00 0.00 176.35 175.50 3cmr s GLY 270 N -1.03 -0.41 0.64 7.98 0.00 -1.26 -1.88 107.32 111.36 3cmr s GLY 270 Ca 0.14 0.55 -0.17 0.00 0.00 0.00 0.00 44.72 45.25 3cmr s GLY 270 CO 0.04 0.17 1.15 2.56 0.00 0.00 0.00 173.10 177.02 3cmr s PRO 271 N -3.38 2.82 0.38 2.90 0.05 -1.26 -4.82 135.00 131.69 3cmr s PRO 271 Ca 0.06 1.58 -0.27 0.00 0.05 0.00 0.00 61.00 62.42 3cmr s PRO 271 Cb -0.02 -1.94 -0.11 0.00 0.05 0.00 0.00 34.50 32.49 3cmr s PRO 271 CO -0.06 -1.27 1.36 1.17 0.05 0.00 0.00 177.00 178.25 3cmr n LYS 272 N -2.11 2.26 -1.88 4.56 4.81 -1.26 -4.54 118.16 120.00 3cmr n LYS 272 Ca 0.12 0.80 -0.37 0.00 -0.87 0.00 0.00 58.31 57.99 3cmr n LYS 272 Cb 0.51 -2.48 0.05 0.00 0.02 0.00 0.00 35.03 33.13 3cmr n LYS 272 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cmr s ALA 273 N -1.14 2.51 0.17 3.14 0.00 0.36 -5.02 121.76 121.78 3cmr s ALA 273 Ca 0.57 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.69 3cmr s ALA 273 Cb -0.51 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 3cmr s ALA 273 CO 0.61 -1.36 -0.02 0.95 0.00 0.00 0.00 175.76 175.93 3cmr s THR 274 N -1.47 0.80 0.11 0.00 -4.23 -0.80 -4.67 115.64 105.38 3cmr s THR 274 Ca 0.79 -1.99 -0.32 0.00 -1.18 0.00 0.00 61.69 58.99 3cmr s THR 274 Cb -0.35 -2.05 -0.11 0.00 1.34 0.00 0.00 72.50 71.33 3cmr s THR 274 CO 0.38 -0.55 1.83 0.00 -0.54 0.00 0.00 174.62 175.73 3cmr n TYR 275 N -0.23 2.58 -2.05 3.99 9.36 -1.26 0.09 117.16 129.64 3cmr n TYR 275 Ca -0.08 -0.11 -0.20 0.00 3.32 0.00 0.00 57.90 60.83 3cmr n TYR 275 Cb 0.63 -2.72 -0.04 0.00 -0.63 0.00 0.00 39.34 36.58 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 5.58 -0.61 -0.16 2.98 8.25 -1.26 -4.90 115.22 125.10 3cmr n HIS 276 Ca 0.18 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.67 3cmr n HIS 276 Cb 0.36 -3.66 0.31 0.00 1.12 0.00 0.00 29.99 28.12 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 0.92 2.00 -1.41 0.00 -1.14 -0.27 103.07 103.16 3cmr h GLY 277 Ca -0.45 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.55 3cmr h GLY 277 CO 0.58 0.32 0.00 3.45 0.00 0.00 0.00 176.54 180.89 3cmr h ASN 278 N 0.86 0.00 0.01 0.19 -1.07 -1.82 -1.95 115.58 111.80 3cmr h ASN 278 Ca 0.25 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 56.22 3cmr h ASN 278 Cb -0.05 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.14 3cmr h ASN 278 CO -0.06 0.00 -2.43 -0.38 0.07 0.00 0.00 177.43 174.64 3cmr n ILE 279 N -2.93 1.52 0.73 6.14 5.41 -0.50 -4.70 119.36 125.03 3cmr n ILE 279 Ca 0.01 -0.54 0.08 0.00 1.00 0.00 0.00 62.75 63.29 3cmr n ILE 279 Cb 0.27 -1.53 -0.05 0.00 -0.71 0.00 0.00 39.64 37.62 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 -3.45 1.12 -4.33 4.38 8.00 -0.23 -4.96 116.55 117.08 3cmr n ASP 280 Ca -0.46 -1.06 -0.28 0.00 0.71 0.00 0.00 54.79 53.70 3cmr n ASP 280 Cb 0.98 0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 42.71 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 -2.23 1.56 0.78 -1.24 1.02 -0.73 -5.04 119.74 113.84 3cmr s LYS 281 Ca 0.09 -1.14 -0.14 0.00 0.02 0.00 0.00 55.97 54.80 3cmr s LYS 281 Cb 0.12 -1.81 0.07 0.00 -0.52 0.00 0.00 37.83 35.69 3cmr s LYS 281 CO 0.54 0.45 1.19 -1.25 -0.92 0.00 0.00 175.35 175.37 3cmr s PRO 282 N -1.49 1.87 0.30 -1.68 0.04 -1.26 -4.63 135.00 128.15 3cmr s PRO 282 Ca 0.11 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 3cmr s PRO 282 Cb -0.10 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 3cmr s PRO 282 CO 0.03 -2.02 1.39 0.00 0.04 0.00 0.00 177.00 176.44 3cmr n ALA 283 N -3.11 1.51 -2.70 8.56 0.00 -1.26 -4.70 120.51 118.81 3cmr n ALA 283 Ca 0.13 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.57 3cmr n ALA 283 Cb 0.51 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 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 -0.58 5.29 -0.17 0.00 1.01 0.22 -4.77 120.40 121.40 3cmr s VAL 284 Ca 0.61 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 3cmr s VAL 284 Cb -0.58 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3cmr s VAL 284 CO 0.56 0.59 -0.07 -0.89 0.00 0.00 0.00 175.10 175.29 3cmr s THR 285 N -1.00 3.43 0.67 3.92 2.01 -1.26 -1.03 115.64 122.37 3cmr s THR 285 Ca 0.19 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 3cmr s THR 285 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.87 3cmr s THR 285 CO 0.08 0.48 1.13 0.00 -0.69 0.00 0.00 174.62 175.63 3cmr s THR 287 N -2.21 0.33 0.50 0.00 -4.23 -0.79 -4.98 115.64 104.26 3cmr s THR 287 Ca 0.69 -1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 59.11 3cmr s THR 287 Cb -0.23 -1.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.86 3cmr s THR 287 CO 0.41 -0.84 1.31 -2.84 -0.54 0.00 0.00 174.62 172.13 3cmr s PRO 288 N -3.93 3.43 -0.43 3.99 0.02 -1.26 0.56 135.00 137.38 3cmr s PRO 288 Ca 0.12 2.14 -0.29 0.00 0.02 0.00 0.00 61.00 62.99 3cmr s PRO 288 Cb 0.07 -2.39 0.01 0.00 0.02 0.00 0.00 34.50 32.21 3cmr s PRO 288 CO -0.06 -0.92 1.40 1.21 -0.33 0.00 0.00 177.00 178.30 3cmr s ASN 289 N -0.98 6.32 0.46 2.53 2.47 0.29 -4.37 114.94 121.66 3cmr s ASN 289 Ca 0.67 0.75 0.32 0.00 0.42 0.00 0.00 52.86 55.02 3cmr s ASN 289 Cb -0.38 -2.54 1.56 0.00 -1.45 0.00 0.00 41.25 38.44 3cmr s ASN 289 CO 0.46 -1.46 1.96 1.55 -3.72 0.00 0.00 177.10 175.88 3cmr h PRO 290 N 10.71 0.00 -0.12 0.43 0.13 -1.90 -2.42 132.00 138.82 3cmr h PRO 290 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3cmr h PRO 290 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3cmr h PRO 290 CO 1.10 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.91 3cmr n GLN 291 N -2.68 1.62 -3.67 0.86 1.13 -1.26 -4.74 117.38 108.64 3cmr n GLN 291 Ca -0.01 -0.92 -0.39 0.00 -1.94 0.00 0.00 57.00 53.74 3cmr n GLN 291 Cb 0.14 -1.40 -0.12 0.00 0.11 0.00 0.00 30.24 28.98 3cmr n GLN 291 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3cmr s ARG 292 N -1.85 2.87 0.29 -1.09 3.52 -0.91 -4.99 118.95 116.78 3cmr s ARG 292 Ca 0.33 -1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 3cmr s ARG 292 Cb 0.17 -3.59 -0.10 0.00 -1.56 0.00 0.00 34.95 29.88 3cmr s ARG 292 CO 0.27 -0.62 1.14 -0.80 -0.81 0.00 0.00 175.30 174.48 3cmr s ASN 293 N 1.51 7.17 0.54 -2.12 -0.87 -1.26 -4.93 114.94 114.98 3cmr s ASN 293 Ca 0.01 2.35 0.24 0.00 -1.57 0.00 0.00 52.86 53.90 3cmr s ASN 293 Cb -0.19 -2.63 1.41 0.00 -0.02 0.00 0.00 41.25 39.82 3cmr s ASN 293 CO 0.05 -0.22 2.04 0.44 -2.57 0.00 0.00 177.10 176.83 3cmr h ASP 294 N 3.77 0.00 0.10 -1.22 3.45 -1.97 -1.13 116.42 119.41 3cmr h ASP 294 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 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 0.67 0.00 0.00 0.77 -1.57 0.00 0.00 179.24 179.11 3cmr h SER 295 N 0.00 0.00 -3.14 6.45 4.64 -2.01 -3.41 113.55 116.08 3cmr h SER 295 Ca 0.18 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.92 3cmr h SER 295 Cb 0.75 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.78 3cmr h SER 295 CO -0.00 0.00 0.86 -0.69 -0.87 0.00 0.00 176.83 176.13 3cmr s VAL 296 N -4.05 4.47 0.60 0.95 1.01 -0.43 -0.09 120.40 122.85 3cmr s VAL 296 Ca -0.04 1.73 -0.20 0.00 0.00 0.00 0.00 61.98 63.47 3cmr s VAL 296 Cb 0.12 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3cmr s VAL 296 CO 0.40 -0.32 1.30 -2.16 0.00 0.00 0.00 175.10 174.33 3cmr s PRO 297 N 3.55 2.85 0.71 2.72 0.04 -1.26 -4.87 135.00 138.75 3cmr s PRO 297 Ca 0.48 2.09 -0.09 0.00 0.04 0.00 0.00 61.00 63.52 3cmr s PRO 297 Cb -0.16 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.41 3cmr s PRO 297 CO 0.13 -1.37 1.06 0.95 0.04 0.00 0.00 177.00 177.81 3cmr s THR 298 N -1.39 2.81 0.27 1.26 -4.23 -1.26 -4.86 115.64 108.23 3cmr s THR 298 Ca 0.78 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 61.32 3cmr s THR 298 Cb -0.37 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.51 3cmr s THR 298 CO 0.41 -0.27 1.93 0.25 -0.54 0.00 0.00 174.62 176.40 3cmr h LEU 299 N -0.66 1.06 -0.29 4.79 5.85 -1.95 0.46 115.31 124.57 3cmr h LEU 299 Ca -0.45 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3cmr h LEU 299 Cb 1.29 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3cmr h LEU 299 CO 0.63 0.74 0.02 0.00 -0.34 0.00 0.00 178.44 179.50 3cmr h ALA 300 N 1.43 0.39 -0.15 1.25 0.00 -1.88 0.35 119.26 120.64 3cmr h ALA 300 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3cmr h ALA 300 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3cmr h ALA 300 CO -0.11 0.10 0.09 1.96 0.00 0.00 0.00 179.25 181.30 3cmr h GLN 301 N 0.30 0.19 -0.62 0.00 4.20 -1.87 0.21 115.11 117.51 3cmr h GLN 301 Ca 0.08 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.83 3cmr h GLN 301 Cb 0.38 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 3cmr h GLN 301 CO 0.01 0.13 0.35 0.52 -0.67 0.00 0.00 178.83 179.17 3cmr h MET 302 N 0.19 0.66 -0.50 1.46 2.86 -0.67 -2.43 114.93 116.50 3cmr h MET 302 Ca 0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3cmr h MET 302 Cb -0.02 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3cmr h MET 302 CO -0.02 0.43 0.11 1.15 1.06 0.00 0.00 176.91 179.65 3cmr h THR 303 N 0.68 1.24 -0.00 2.22 2.02 0.02 -1.84 112.91 117.24 3cmr h THR 303 Ca 0.27 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3cmr h THR 303 Cb 0.12 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 3cmr h THR 303 CO -0.15 0.31 -0.52 0.44 0.37 0.00 0.00 175.52 175.98 3cmr h ASP 304 N 0.69 -1.59 -0.64 4.18 3.32 -0.19 -0.52 116.42 121.66 3cmr h ASP 304 Ca 0.15 0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.40 3cmr h ASP 304 Cb 0.35 0.61 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 3cmr h ASP 304 CO 0.00 -0.50 0.41 0.50 -1.72 0.00 0.00 179.24 177.93 3cmr h LYS 305 N -0.64 0.79 -0.09 3.56 1.63 -1.41 -1.40 116.57 119.01 3cmr h LYS 305 Ca 0.01 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 3cmr h LYS 305 Cb 0.69 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 3cmr h LYS 305 CO -0.35 0.53 -0.16 0.00 -3.45 0.00 0.00 179.45 176.02 3cmr h ALA 306 N 1.26 -0.11 -0.69 5.00 0.00 -1.17 0.39 119.26 123.93 3cmr h ALA 306 Ca 0.25 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3cmr h ALA 306 Cb -0.03 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3cmr h ALA 306 CO -0.08 -0.62 0.37 0.82 0.00 0.00 0.00 179.25 179.73 3cmr h ILE 307 N -0.22 0.91 0.03 0.00 2.04 -0.87 0.21 117.51 119.61 3cmr h ILE 307 Ca 0.08 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3cmr h ILE 307 Cb 0.33 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3cmr h ILE 307 CO -0.21 0.12 -0.01 -0.08 0.00 0.00 0.00 178.15 177.96 3cmr h GLU 308 N 0.65 -0.04 -0.17 2.37 4.81 -0.70 0.31 114.58 121.81 3cmr h GLU 308 Ca 0.32 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.35 3cmr h GLU 308 Cb 0.27 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.67 3cmr h GLU 308 CO -0.22 -0.01 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.26 3cmr h LEU 309 N -0.05 0.93 -0.83 1.64 3.38 -0.58 -3.24 115.31 116.56 3cmr h LEU 309 Ca -0.00 -0.61 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 3cmr h LEU 309 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3cmr h LEU 309 CO 0.01 1.38 -0.55 -0.07 0.09 0.00 0.00 178.44 179.30 3cmr h LEU 310 N 0.53 0.12 0.00 1.67 4.07 -0.50 -3.16 115.31 118.03 3cmr h LEU 310 Ca -0.04 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.86 3cmr h LEU 310 Cb 1.34 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.04 3cmr h LEU 310 CO 0.15 0.64 0.00 -1.54 -1.08 0.00 0.00 178.44 176.61 3cmr n SER 311 N -3.90 0.00 0.17 -0.43 3.41 0.09 -1.62 113.62 111.34 3cmr n SER 311 Ca -0.02 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3cmr n SER 311 Cb 0.57 -0.47 0.50 0.00 -0.26 0.00 0.00 64.21 64.55 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 -6.23 4.33 1.57 -1.66 -3.43 116.57 111.15 3cmr h LYS 312 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3cmr h LYS 312 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3cmr h LYS 312 CO 0.00 0.00 0.95 1.21 -0.57 0.00 0.00 179.45 181.04 3cmr s ASN 313 N -4.76 6.80 0.37 0.86 3.84 -0.64 -4.90 114.94 116.51 3cmr s ASN 313 Ca 0.05 1.54 0.05 0.00 0.21 0.00 0.00 52.86 54.71 3cmr s ASN 313 Cb 0.09 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.98 3cmr s ASN 313 CO 0.48 -0.91 1.99 -0.08 -2.79 0.00 0.00 177.10 175.79 3cmr h GLU 314 N 8.81 0.74 0.00 0.43 4.81 -1.90 -2.74 114.58 124.73 3cmr h GLU 314 Ca -0.27 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.71 3cmr h GLU 314 Cb 1.11 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3cmr h GLU 314 CO 0.99 0.49 -1.16 -0.22 -0.73 0.00 0.00 179.01 178.38 3cmr h LYS 315 N 0.76 0.00 0.00 1.92 3.64 -1.90 -3.50 116.57 117.49 3cmr h LYS 315 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3cmr h LYS 315 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3cmr h LYS 315 CO -0.08 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.17 3cmr n GLY 316 N 1.39 0.98 3.14 5.01 0.00 -1.04 -4.90 105.19 109.77 3cmr n GLY 316 Ca -0.06 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.08 0.25 -0.14 1.61 -0.12 -1.22 -0.01 117.98 117.27 3cmr s PHE 317 Ca 0.00 -0.63 -0.01 0.00 -0.05 0.00 0.00 56.93 56.24 3cmr s PHE 317 Cb 0.00 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 3cmr s PHE 317 CO 0.00 -0.42 -0.11 0.12 -0.05 0.00 0.00 175.22 174.76 3cmr s PHE 318 N -3.23 2.86 -0.08 3.49 5.36 0.62 -1.73 117.98 125.26 3cmr s PHE 318 Ca 0.00 -0.60 -0.00 0.00 -0.96 0.00 0.00 56.93 55.37 3cmr s PHE 318 Cb 0.02 -1.88 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 3cmr s PHE 318 CO -0.07 -0.20 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.28 3cmr s LEU 319 N 0.42 1.02 -0.13 6.12 2.96 -0.68 0.29 118.68 128.67 3cmr s LEU 319 Ca -0.09 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 3cmr s LEU 319 Cb -0.15 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 3cmr s LEU 319 CO 0.05 -0.12 0.05 -1.58 -1.32 0.00 0.00 176.35 173.42 3cmr s GLN 320 N 1.55 3.51 -0.08 1.98 0.74 -0.03 -0.86 119.66 126.46 3cmr s GLN 320 Ca -0.00 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.07 3cmr s GLN 320 Cb -0.13 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 30.96 3cmr s GLN 320 CO -0.04 0.52 -0.07 0.08 -0.55 0.00 0.00 175.29 175.23 3cmr s VAL 321 N -0.34 0.86 -0.21 1.34 1.01 0.41 -0.80 120.40 122.67 3cmr s VAL 321 Ca 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3cmr s VAL 321 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.41 3cmr s VAL 321 CO 0.02 0.32 -0.15 -0.70 0.00 0.00 0.00 175.10 174.59 3cmr s GLU 322 N 1.39 2.88 -1.09 2.72 2.12 -0.51 -0.71 118.70 125.51 3cmr s GLU 322 Ca -0.02 -0.92 -0.22 0.00 0.36 0.00 0.00 54.97 54.18 3cmr s GLU 322 Cb -0.13 -2.72 0.05 0.00 0.26 0.00 0.00 34.13 31.58 3cmr s GLU 322 CO -0.04 -0.30 1.54 0.20 -0.54 0.00 0.00 175.26 176.13 3cmr s GLY 323 N 1.28 1.31 0.23 -1.50 0.00 0.06 -2.09 107.32 106.62 3cmr s GLY 323 Ca 0.02 -2.40 0.14 0.00 0.00 0.00 0.00 44.72 42.48 3cmr s GLY 323 CO -0.10 2.73 1.35 0.00 0.00 0.00 0.00 173.10 177.09 3cmr h ALA 324 N 9.28 0.63 -0.21 3.20 0.00 -1.91 -1.45 119.26 128.80 3cmr h ALA 324 Ca 0.26 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3cmr h ALA 324 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3cmr h ALA 324 CO 1.43 0.74 0.00 0.43 0.00 0.00 0.00 179.25 181.85 3cmr n SER 325 N -3.20 2.28 -0.01 0.00 7.64 -1.26 -3.40 113.62 115.67 3cmr n SER 325 Ca 0.00 -1.80 -0.09 0.00 1.01 0.00 0.00 58.87 57.99 3cmr n SER 325 Cb 0.77 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 3.07 0.73 -0.26 0.44 2.04 -1.74 -0.42 117.51 121.36 3cmr h ILE 326 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3cmr h ILE 326 Cb 0.67 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3cmr h ILE 326 CO 0.00 0.00 0.14 -0.78 0.00 0.00 0.00 178.15 177.51 3cmr h ASP 327 N -0.10 0.33 -0.34 1.72 3.58 -0.99 -1.38 116.42 119.24 3cmr h ASP 327 Ca 0.08 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 3cmr h ASP 327 Cb 0.22 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3cmr h ASP 327 CO -0.19 0.32 -0.18 0.11 -2.88 0.00 0.00 179.24 176.42 3cmr h LYS 328 N 0.31 0.82 0.00 0.28 1.57 -1.60 -0.06 116.57 117.88 3cmr h LYS 328 Ca 0.09 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.41 3cmr h LYS 328 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3cmr h LYS 328 CO -0.01 0.94 -0.69 1.96 -0.57 0.00 0.00 179.45 181.07 3cmr h GLN 329 N 0.72 0.00 -0.35 3.15 1.08 -0.99 -1.78 115.11 116.94 3cmr h GLN 329 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3cmr h GLN 329 Cb 0.70 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 3cmr h GLN 329 CO 0.05 0.69 0.14 0.22 -0.95 0.00 0.00 178.83 178.99 3cmr h ASP 330 N 0.00 0.47 -1.00 1.46 1.82 -0.82 -1.25 116.42 117.10 3cmr h ASP 330 Ca -0.01 -0.16 0.10 0.00 -0.39 0.00 0.00 57.03 56.57 3cmr h ASP 330 Cb 1.35 -0.12 -0.08 0.00 0.68 0.00 0.00 39.33 41.16 3cmr h ASP 330 CO 0.09 0.51 0.64 0.45 -1.61 0.00 0.00 179.24 179.31 3cmr h HIS 331 N 0.41 1.17 -0.07 0.28 3.86 -0.86 -1.87 115.15 118.07 3cmr h HIS 331 Ca 0.12 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3cmr h HIS 331 Cb 0.18 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.27 3cmr h HIS 331 CO -0.01 0.52 0.00 0.00 0.86 0.00 0.00 177.93 179.30 3cmr n ALA 332 N -2.35 2.56 -3.76 2.45 0.00 -0.68 -1.23 120.51 117.49 3cmr n ALA 332 Ca 0.18 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 3cmr n ALA 332 Cb 0.29 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.35 -1.66 -3.93 0.00 0.00 -0.70 -4.72 120.51 109.15 3cmr n ALA 333 Ca 0.13 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 3cmr n ALA 333 Cb 0.15 -3.32 -0.14 0.00 0.00 0.00 0.00 19.45 16.13 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 -3.85 4.40 0.25 0.00 3.84 -0.53 -0.49 114.94 118.56 3cmr s ASN 334 Ca 0.32 -2.43 -0.05 0.00 0.21 0.00 0.00 52.86 50.91 3cmr s ASN 334 Cb -0.16 -1.47 0.27 0.00 -0.55 0.00 0.00 41.25 39.35 3cmr s ASN 334 CO 0.81 -0.32 1.86 -0.65 -2.79 0.00 0.00 177.10 176.00 3cmr h PRO 335 N 7.20 1.16 -0.28 0.43 0.11 -1.84 -0.71 132.00 138.07 3cmr h PRO 335 Ca -0.06 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 3cmr h PRO 335 Cb 0.97 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3cmr h PRO 335 CO 0.56 0.87 0.08 0.00 -0.21 0.00 0.00 178.00 179.30 3cmr h GLY 337 N 0.28 0.27 0.79 0.00 0.00 -1.62 -0.36 103.07 102.43 3cmr h GLY 337 Ca 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3cmr h GLY 337 CO -0.00 -0.09 -0.01 -1.61 0.00 0.00 0.00 176.54 174.83 3cmr h GLN 338 N 0.05 -0.02 -0.30 4.80 4.15 -0.89 -2.18 115.11 120.72 3cmr h GLN 338 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3cmr h GLN 338 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3cmr h GLN 338 CO -0.28 0.20 0.20 0.82 -1.93 0.00 0.00 178.83 177.84 3cmr h ILE 339 N -0.24 1.08 -0.95 2.39 2.04 -0.46 -1.73 117.51 119.65 3cmr h ILE 339 Ca -0.00 -0.16 0.12 0.00 1.00 0.00 0.00 64.86 65.82 3cmr h ILE 339 Cb 0.23 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 3cmr h ILE 339 CO 0.00 0.08 0.60 1.23 0.00 0.00 0.00 178.15 180.07 3cmr h GLY 340 N 0.40 1.45 2.00 5.37 0.00 -0.96 0.33 103.07 111.66 3cmr h GLY 340 Ca 0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3cmr h GLY 340 CO -0.02 0.15 -0.21 0.83 0.00 0.00 0.00 176.54 177.28 3cmr h GLU 341 N 0.88 0.00 -0.08 4.80 4.39 -1.01 -1.47 114.58 122.09 3cmr h GLU 341 Ca 0.47 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.08 3cmr h GLU 341 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3cmr h GLU 341 CO -0.23 0.21 -0.30 1.15 -1.16 0.00 0.00 179.01 178.68 3cmr h THR 342 N 0.00 1.41 -0.60 1.13 2.02 -0.09 -1.96 112.91 114.83 3cmr h THR 342 Ca -0.00 -1.68 0.09 0.00 0.77 0.00 0.00 66.41 65.58 3cmr h THR 342 Cb 0.96 2.27 -0.07 0.00 -1.74 0.00 0.00 68.15 69.57 3cmr h THR 342 CO 0.03 0.49 0.23 0.58 0.37 0.00 0.00 175.52 177.22 3cmr h VAL 343 N -0.13 0.80 -0.40 3.16 2.07 -1.12 -0.36 116.25 120.27 3cmr h VAL 343 Ca -0.02 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3cmr h VAL 343 Cb 0.94 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3cmr h VAL 343 CO 0.06 0.08 0.18 -0.78 0.02 0.00 0.00 177.57 177.13 3cmr h ASP 344 N 0.43 0.25 -0.51 0.57 3.58 -1.28 -1.60 116.42 117.86 3cmr h ASP 344 Ca 0.30 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 3cmr h ASP 344 Cb 0.34 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 3cmr h ASP 344 CO -0.28 0.18 0.29 0.25 -2.88 0.00 0.00 179.24 176.80 3cmr h LEU 345 N 0.37 0.63 -1.00 2.28 5.85 -1.08 -2.72 115.31 119.65 3cmr h LEU 345 Ca 0.17 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.92 3cmr h LEU 345 Cb 0.10 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3cmr h LEU 345 CO -0.14 0.53 0.63 -0.78 -0.34 0.00 0.00 178.44 178.34 3cmr h ASP 346 N 0.68 0.93 -0.33 1.25 3.58 -0.48 0.01 116.42 122.07 3cmr h ASP 346 Ca 0.18 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.68 3cmr h ASP 346 Cb 0.03 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 3cmr h ASP 346 CO -0.03 0.51 0.20 -0.33 -2.88 0.00 0.00 179.24 176.71 3cmr h GLU 347 N 1.01 0.40 -1.01 0.28 5.08 -1.01 -1.51 114.58 117.82 3cmr h GLU 347 Ca 0.48 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.84 3cmr h GLU 347 Cb 0.44 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3cmr h GLU 347 CO -0.25 0.27 0.67 0.00 -1.00 0.00 0.00 179.01 178.69 3cmr h ALA 348 N 1.14 1.30 -0.75 3.43 0.00 -0.82 -2.27 119.26 121.28 3cmr h ALA 348 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3cmr h ALA 348 Cb -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 3cmr h ALA 348 CO -0.05 0.63 0.40 0.28 0.00 0.00 0.00 179.25 180.51 3cmr h VAL 349 N 1.34 1.23 -0.15 0.00 2.07 -0.64 -1.88 116.25 118.22 3cmr h VAL 349 Ca 0.38 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3cmr h VAL 349 Cb -0.11 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3cmr h VAL 349 CO -0.09 0.26 0.06 1.56 0.02 0.00 0.00 177.57 179.37 3cmr h GLN 350 N 1.05 0.13 -0.77 1.57 4.20 -0.72 -0.43 115.11 120.15 3cmr h GLN 350 Ca 0.26 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.01 3cmr h GLN 350 Cb 0.05 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3cmr h GLN 350 CO -0.04 0.09 0.48 0.00 -0.67 0.00 0.00 178.83 178.68 3cmr h ARG 351 N 0.14 0.88 -0.31 1.46 2.47 -1.13 -1.66 114.38 116.23 3cmr h ARG 351 Ca 0.06 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3cmr h ARG 351 Cb 0.03 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 3cmr h ARG 351 CO -0.06 0.59 0.14 0.00 0.56 0.00 0.00 179.97 181.19 3cmr h ALA 352 N 1.34 0.39 -0.21 0.04 0.00 -0.73 -1.88 119.26 118.21 3cmr h ALA 352 Ca 0.32 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3cmr h ALA 352 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3cmr h ALA 352 CO -0.13 -0.03 -0.45 -0.07 0.00 0.00 0.00 179.25 178.56 3cmr h LEU 353 N 0.35 0.57 -0.44 0.00 3.38 -0.93 0.13 115.31 118.36 3cmr h LEU 353 Ca 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3cmr h LEU 353 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3cmr h LEU 353 CO -0.01 0.94 0.15 -0.33 0.09 0.00 0.00 178.44 179.28 3cmr h GLU 354 N 0.42 0.67 0.10 1.13 5.08 -1.22 0.55 114.58 121.32 3cmr h GLU 354 Ca 0.03 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3cmr h GLU 354 Cb 0.96 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3cmr h GLU 354 CO 0.09 0.64 -0.13 0.35 -1.00 0.00 0.00 179.01 178.95 3cmr h PHE 355 N 0.57 -0.35 -0.87 4.33 3.57 -1.20 -2.98 116.94 120.01 3cmr h PHE 355 Ca 0.14 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3cmr h PHE 355 Cb 0.24 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3cmr h PHE 355 CO 0.01 -0.21 0.51 0.00 -2.23 0.00 0.00 178.31 176.39 3cmr h ALA 356 N 0.59 1.26 -0.99 2.41 0.00 -0.75 -1.80 119.26 119.97 3cmr h ALA 356 Ca 0.01 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3cmr h ALA 356 Cb 0.28 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3cmr h ALA 356 CO -0.06 0.62 0.64 0.87 0.00 0.00 0.00 179.25 181.33 3cmr h LYS 357 N 1.20 1.14 0.16 0.00 1.57 -0.86 0.16 116.57 119.94 3cmr h LYS 357 Ca 0.31 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.76 3cmr h LYS 357 Cb -0.02 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.04 3cmr h LYS 357 CO -0.06 0.75 -1.27 0.87 -0.57 0.00 0.00 179.45 179.18 3cmr h LYS 358 N 1.17 0.33 -0.10 3.15 1.57 -1.27 -3.36 116.57 118.06 3cmr h LYS 358 Ca 0.42 -0.57 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 3cmr h LYS 358 Cb 0.15 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3cmr h LYS 358 CO -0.16 1.27 -0.16 1.49 -0.57 0.00 0.00 179.45 181.32 3cmr h GLU 359 N -0.20 0.29 0.00 3.15 4.22 -1.35 -3.48 114.58 117.21 3cmr h GLU 359 Ca -0.25 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.02 3cmr h GLU 359 Cb 1.83 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.10 3cmr h GLU 359 CO 0.14 0.75 0.00 0.41 -2.18 0.00 0.00 179.01 178.13 3cmr n GLY 360 N 0.35 1.12 0.81 1.92 0.00 0.57 -4.82 105.19 105.13 3cmr n GLY 360 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 1.54 -4.23 1.61 3.02 -1.26 -4.87 115.26 111.07 3cmr n ASN 361 Ca 0.00 -3.41 -0.32 0.00 -0.03 0.00 0.00 54.58 50.81 3cmr n ASN 361 Cb 0.00 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.42 2.24 -0.28 3.41 2.01 -1.26 -0.11 115.64 119.23 3cmr s THR 362 Ca 0.37 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 3cmr s THR 362 Cb 0.37 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 3cmr s THR 362 CO -0.09 0.55 0.38 -0.22 -0.69 0.00 0.00 174.62 174.55 3cmr s LEU 363 N 0.54 4.07 -0.15 4.42 2.96 -0.46 -4.33 118.68 125.73 3cmr s LEU 363 Ca -0.13 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3cmr s LEU 363 Cb -0.17 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 3cmr s LEU 363 CO 0.04 -0.21 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.07 3cmr s VAL 364 N 2.09 3.22 -0.04 1.68 1.01 0.17 -1.21 120.40 127.32 3cmr s VAL 364 Ca 0.15 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3cmr s VAL 364 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3cmr s VAL 364 CO 0.10 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 174.87 3cmr s ILE 365 N 0.55 1.71 -0.12 2.22 1.01 -0.33 -0.78 121.20 125.45 3cmr s ILE 365 Ca -0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 3cmr s ILE 365 Cb -0.15 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.89 3cmr s ILE 365 CO 0.03 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 3cmr s VAL 366 N -0.13 1.06 0.00 2.92 1.01 0.05 -0.36 120.40 124.95 3cmr s VAL 366 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3cmr s VAL 366 Cb -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3cmr s VAL 366 CO 0.02 0.36 0.00 1.07 0.00 0.00 0.00 175.10 176.55 3cmr n THR 367 N 4.93 0.00 -4.32 3.92 5.66 -0.73 -1.29 114.28 122.46 3cmr n THR 367 Ca -0.13 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.71 3cmr n THR 367 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 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 -1.14 1.80 -0.08 1.79 0.00 -1.26 -0.79 121.76 122.08 3cmr s ALA 368 Ca 0.00 -1.66 0.21 0.00 0.00 0.00 0.00 51.96 50.51 3cmr s ALA 368 Cb 0.00 0.15 0.50 0.00 0.00 0.00 0.00 23.12 23.78 3cmr s ALA 368 CO 0.00 -0.10 1.65 0.38 0.00 0.00 0.00 175.76 177.69 3cmr h ASP 369 N 2.58 0.00 -5.86 0.00 2.03 -1.92 -3.48 116.42 109.76 3cmr h ASP 369 Ca -0.38 0.00 0.35 0.00 -0.73 0.00 0.00 57.03 56.28 3cmr h ASP 369 Cb 1.21 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.59 3cmr h ASP 369 CO 0.64 0.28 0.89 -1.38 -1.03 0.00 0.00 179.24 178.64 3cmr s HIS 370 N -3.31 -0.02 0.87 4.15 -3.43 -1.26 -4.84 115.29 107.45 3cmr s HIS 370 Ca 0.03 -0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.13 3cmr s HIS 370 Cb 0.08 0.53 0.16 0.00 -1.43 0.00 0.00 32.58 31.92 3cmr s HIS 370 CO 0.68 -0.18 1.21 0.00 -2.00 0.00 0.00 174.74 174.45 3cmr s ALA 371 N -2.26 2.68 0.00 -1.38 0.00 -1.15 -3.67 121.76 115.98 3cmr s ALA 371 Ca 0.15 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3cmr s ALA 371 Cb 0.06 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3cmr s ALA 371 CO -0.05 -2.03 0.00 1.58 0.00 0.00 0.00 175.76 175.26 3cmr n HIS 372 N -3.43 -0.04 0.12 0.00 -0.00 -1.26 -2.08 115.22 108.53 3cmr n HIS 372 Ca 0.14 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.08 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 1.08 -0.09 -2.83 1.57 0.00 -1.84 -3.37 119.26 113.77 3cmr h ALA 373 Ca 0.00 -0.81 -0.53 0.00 0.00 0.00 0.00 54.91 53.57 3cmr h ALA 373 Cb 0.00 0.15 0.08 0.00 0.00 0.00 0.00 17.79 18.01 3cmr h ALA 373 CO 0.00 0.67 0.78 -1.54 0.00 0.00 0.00 179.25 179.17 3cmr s SER 374 N -7.49 6.51 0.06 0.00 1.04 -1.26 -4.59 113.70 107.96 3cmr s SER 374 Ca -0.09 2.85 0.05 0.00 0.48 0.00 0.00 55.95 59.24 3cmr s SER 374 Cb 0.05 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 3cmr s SER 374 CO 0.94 -0.78 -0.14 -1.10 0.98 0.00 0.00 173.24 173.13 3cmr s GLN 375 N -1.05 0.89 -0.26 4.02 -0.21 -0.28 -4.71 119.66 118.05 3cmr s GLN 375 Ca 0.57 -0.86 -0.16 0.00 0.02 0.00 0.00 55.36 54.93 3cmr s GLN 375 Cb -0.44 -0.90 -0.03 0.00 1.00 0.00 0.00 33.01 32.63 3cmr s GLN 375 CO 0.51 0.21 0.45 0.42 -2.12 0.00 0.00 175.29 174.76 3cmr s ILE 376 N -1.06 5.12 0.25 1.08 1.01 -1.26 -0.17 121.20 126.17 3cmr s ILE 376 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 60.65 61.42 3cmr s ILE 376 Cb -0.09 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 3cmr s ILE 376 CO 0.02 0.13 -0.00 0.68 0.00 0.00 0.00 174.94 175.76 3cmr s VAL 377 N 2.15 1.12 0.46 2.92 -7.23 -0.75 -5.00 120.40 114.08 3cmr s VAL 377 Ca 0.18 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.07 3cmr s VAL 377 Cb -0.16 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 3cmr s VAL 377 CO 0.09 -0.28 1.37 0.00 -0.31 0.00 0.00 175.10 175.97 3cmr s ALA 378 N -3.36 3.13 0.43 1.32 0.00 -1.26 -3.83 121.76 118.20 3cmr s ALA 378 Ca 0.29 1.36 0.20 0.00 0.00 0.00 0.00 51.96 53.81 3cmr s ALA 378 Cb 0.06 -3.55 1.15 0.00 0.00 0.00 0.00 23.12 20.77 3cmr s ALA 378 CO 0.10 -1.13 1.84 -1.35 0.00 0.00 0.00 175.76 175.22 3cmr h PRO 379 N 2.18 0.34 -0.69 0.00 0.11 -1.92 -0.58 132.00 131.43 3cmr h PRO 379 Ca -0.51 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3cmr h PRO 379 Cb 1.27 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3cmr h PRO 379 CO 0.60 0.22 0.09 -0.40 -0.21 0.00 0.00 178.00 178.31 3cmr n ASP 380 N -4.50 4.93 -4.77 -2.05 5.75 -1.26 -4.87 116.55 109.78 3cmr n ASP 380 Ca 0.21 -2.91 -0.40 0.00 -0.01 0.00 0.00 54.79 51.67 3cmr n ASP 380 Cb 0.78 -0.69 0.01 0.00 -1.03 0.00 0.00 41.12 40.20 3cmr n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3cmr s THR 381 N -2.60 2.04 -0.35 2.12 2.01 -0.23 -4.97 115.64 113.66 3cmr s THR 381 Ca 0.48 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.54 3cmr s THR 381 Cb 0.37 -3.03 0.10 0.00 0.01 0.00 0.00 72.50 69.95 3cmr s THR 381 CO 0.13 0.01 0.08 -0.75 -0.69 0.00 0.00 174.62 173.40 3cmr s LYS 382 N -2.29 1.77 0.28 4.92 2.20 -1.26 -4.83 119.74 120.53 3cmr s LYS 382 Ca 0.57 -1.77 0.10 0.00 -0.36 0.00 0.00 55.97 54.51 3cmr s LYS 382 Cb -0.45 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.53 3cmr s LYS 382 CO 0.60 -0.92 -0.04 0.00 -0.36 0.00 0.00 175.35 174.62 3cmr s ALA 383 N 1.01 3.09 -0.75 3.13 0.00 -1.26 -5.05 121.76 121.93 3cmr s ALA 383 Ca 0.07 -1.73 0.26 0.00 0.00 0.00 0.00 51.96 50.56 3cmr s ALA 383 Cb -0.20 -0.63 0.68 0.00 0.00 0.00 0.00 23.12 22.96 3cmr s ALA 383 CO -0.06 0.25 1.61 -0.35 0.00 0.00 0.00 175.76 177.21 3cmr n PRO 384 N -0.85 0.22 0.00 0.00 -0.04 -1.26 -4.61 135.00 128.46 3cmr n PRO 384 Ca -0.06 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3cmr n PRO 384 Cb 0.60 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.36 2.43 3.78 0.55 0.00 -1.26 -5.00 105.19 107.04 3cmr n GLY 385 Ca 0.05 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 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 4.30 0.19 0.99 1.43 -0.27 -4.00 118.68 121.32 3cmr s LEU 386 Ca 0.00 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3cmr s LEU 386 Cb 0.00 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3cmr s LEU 386 CO 0.00 0.22 0.07 0.42 0.23 0.00 0.00 176.35 177.29 3cmr s THR 387 N -0.10 0.31 -0.26 5.49 -4.23 0.11 -0.30 115.64 116.66 3cmr s THR 387 Ca 0.15 -1.97 -0.19 0.00 -1.18 0.00 0.00 61.69 58.51 3cmr s THR 387 Cb -0.13 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.47 3cmr s THR 387 CO 0.04 -0.24 0.66 -1.58 -0.54 0.00 0.00 174.62 172.95 3cmr s GLN 388 N -4.04 0.72 -0.00 3.99 0.74 -0.83 -1.91 119.66 118.32 3cmr s GLN 388 Ca 0.31 1.05 -0.18 0.00 0.05 0.00 0.00 55.36 56.59 3cmr s GLN 388 Cb 0.07 0.24 -0.06 0.00 1.10 0.00 0.00 33.01 34.36 3cmr s GLN 388 CO 0.08 -0.12 0.52 0.00 -0.55 0.00 0.00 175.29 175.21 3cmr s ALA 389 N 1.01 3.57 -0.03 1.58 0.00 -1.26 -1.53 121.76 125.10 3cmr s ALA 389 Ca -0.05 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.89 3cmr s ALA 389 Cb -0.05 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3cmr s ALA 389 CO -0.09 0.28 -0.20 -0.51 0.00 0.00 0.00 175.76 175.24 3cmr s LEU 390 N -0.53 2.00 -0.34 0.00 1.43 0.71 0.71 118.68 122.66 3cmr s LEU 390 Ca 0.28 -0.37 -0.25 0.00 -1.03 0.00 0.00 54.13 52.75 3cmr s LEU 390 Cb -0.18 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.01 3cmr s LEU 390 CO 0.15 0.22 0.89 0.20 0.23 0.00 0.00 176.35 178.04 3cmr s ASN 391 N -0.27 6.70 0.53 2.29 0.01 -0.20 -1.08 114.94 122.91 3cmr s ASN 391 Ca 0.03 0.64 0.02 0.00 -0.71 0.00 0.00 52.86 52.84 3cmr s ASN 391 Cb -0.10 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.14 3cmr s ASN 391 CO 0.01 -0.78 0.75 0.42 -1.51 0.00 0.00 177.10 175.99 3cmr s THR 392 N 3.31 2.78 0.54 1.60 -4.23 -0.81 -4.80 115.64 114.04 3cmr s THR 392 Ca 0.37 -0.69 0.37 0.00 -1.18 0.00 0.00 61.69 60.56 3cmr s THR 392 Cb -0.13 -3.03 0.55 0.00 1.34 0.00 0.00 72.50 71.24 3cmr s THR 392 CO 0.16 -0.02 1.80 0.50 -0.54 0.00 0.00 174.62 176.52 3cmr h LYS 393 N 0.15 0.00 0.00 3.99 3.64 -1.24 -1.31 116.57 121.80 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 -0.25 -2.27 0.00 0.00 179.45 177.45 3cmr n ASP 394 N -4.17 0.18 -0.20 4.20 8.00 -1.26 -4.87 116.55 118.43 3cmr n ASP 394 Ca 0.25 0.53 -0.02 0.00 0.71 0.00 0.00 54.79 56.26 3cmr n ASP 394 Cb 1.25 -0.57 -0.00 0.00 -0.02 0.00 0.00 41.12 41.78 3cmr n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cmr n GLY 395 N 0.80 0.30 3.23 0.44 0.00 -0.49 -5.06 105.19 104.41 3cmr n GLY 395 Ca 0.05 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.09 1.35 0.03 4.61 0.00 -1.26 -4.94 121.76 119.46 3cmr s ALA 396 Ca 0.00 -1.47 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 3cmr s ALA 396 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 3cmr s ALA 396 CO 0.00 -0.14 0.69 0.08 0.00 0.00 0.00 175.76 176.38 3cmr s VAL 397 N -3.41 4.78 -0.08 0.00 1.01 -1.26 -1.92 120.40 119.52 3cmr s VAL 397 Ca 0.16 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.64 3cmr s VAL 397 Cb 0.03 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3cmr s VAL 397 CO -0.00 0.41 -0.21 -0.32 0.00 0.00 0.00 175.10 174.98 3cmr s MET 398 N -0.24 2.81 -0.16 2.72 0.00 -0.24 -4.87 119.30 119.32 3cmr s MET 398 Ca 0.35 -0.82 -0.06 0.00 0.00 0.00 0.00 55.69 55.15 3cmr s MET 398 Cb -0.20 -2.32 -0.04 0.00 0.00 0.00 0.00 34.83 32.27 3cmr s MET 398 CO 0.21 0.35 0.05 0.08 0.00 0.00 0.00 175.02 175.71 3cmr s VAL 399 N -0.06 4.73 0.03 10.11 1.01 -1.25 -0.20 120.40 134.77 3cmr s VAL 399 Ca -0.05 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3cmr s VAL 399 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3cmr s VAL 399 CO 0.04 0.50 -0.04 -0.04 0.00 0.00 0.00 175.10 175.56 3cmr s MET 400 N 0.09 2.56 -0.03 2.72 -1.94 -0.58 -1.81 119.30 120.29 3cmr s MET 400 Ca 0.05 -0.75 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 3cmr s MET 400 Cb -0.12 -2.52 -0.00 0.00 2.01 0.00 0.00 34.83 34.19 3cmr s MET 400 CO 0.01 0.59 -0.15 0.45 -0.01 0.00 0.00 175.02 175.90 3cmr s SER 401 N -1.70 1.90 -0.32 3.03 0.15 0.76 -1.97 113.70 115.56 3cmr s SER 401 Ca 0.20 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.57 3cmr s SER 401 Cb -0.11 -0.46 0.09 0.00 -1.71 0.00 0.00 66.02 63.83 3cmr s SER 401 CO 0.11 0.14 0.03 -0.31 1.20 0.00 0.00 173.24 174.41 3cmr s TYR 402 N -0.02 3.22 -0.08 3.44 1.51 0.59 -1.13 117.35 124.88 3cmr s TYR 402 Ca -0.01 -2.59 0.11 0.00 -1.01 0.00 0.00 57.07 53.57 3cmr s TYR 402 Cb -0.10 -2.48 0.17 0.00 -0.11 0.00 0.00 41.96 39.45 3cmr s TYR 402 CO 0.01 -0.91 1.07 0.41 -1.11 0.00 0.00 175.55 175.01 3cmr n GLY 403 N 4.42 3.23 0.23 0.71 0.00 -1.26 -1.11 105.19 111.40 3cmr n GLY 403 Ca -0.00 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.91 2.47 -3.70 1.61 0.23 -1.26 -4.82 115.26 108.87 3cmr n ASN 404 Ca 0.10 -2.43 -0.11 0.00 -0.53 0.00 0.00 54.58 51.60 3cmr n ASN 404 Cb 0.60 -0.22 -0.11 0.00 -2.08 0.00 0.00 39.78 37.97 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 -1.65 -0.49 0.00 0.53 0.15 -1.26 -4.67 113.70 106.30 3cmr s SER 405 Ca 0.18 0.86 0.28 0.00 0.70 0.00 0.00 55.95 57.97 3cmr s SER 405 Cb 0.14 0.76 1.01 0.00 -1.71 0.00 0.00 66.02 66.22 3cmr s SER 405 CO 0.04 -0.18 1.72 -0.62 1.20 0.00 0.00 173.24 175.40 3cmr n GLU 406 N 4.00 0.87 -1.11 5.44 1.02 -1.26 -4.87 120.64 124.74 3cmr n GLU 406 Ca -0.22 -0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 56.42 3cmr n GLU 406 Cb 0.55 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.53 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 -0.69 0.24 0.02 3.49 1.02 -1.26 -4.97 120.64 118.48 3cmr n GLU 407 Ca 0.14 -0.82 0.10 0.00 -0.02 0.00 0.00 57.16 56.56 3cmr n GLU 407 Cb 0.31 -0.25 0.42 0.00 -0.02 0.00 0.00 31.44 31.90 3cmr n GLU 407 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3cmr n ASP 408 N -3.03 0.11 -4.04 1.62 8.00 -1.26 -4.68 116.55 113.27 3cmr n ASP 408 Ca 0.05 0.52 -0.26 0.00 0.71 0.00 0.00 54.79 55.81 3cmr n ASP 408 Cb 0.19 -0.55 -0.17 0.00 -0.02 0.00 0.00 41.12 40.57 3cmr n ASP 408 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3cmr s SER 409 N -3.21 2.03 0.63 -2.24 0.15 -1.26 -4.83 113.70 104.98 3cmr s SER 409 Ca 0.09 -0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.25 3cmr s SER 409 Cb 0.12 -0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 63.50 3cmr s SER 409 CO 0.36 0.03 1.07 -1.10 1.20 0.00 0.00 173.24 174.81 3cmr s GLN 410 N 0.78 3.07 0.17 5.44 -1.52 -0.36 -4.76 119.66 122.47 3cmr s GLN 410 Ca -0.12 1.23 0.09 0.00 -1.95 0.00 0.00 55.36 54.61 3cmr s GLN 410 Cb -0.16 -2.00 -0.04 0.00 -0.22 0.00 0.00 33.01 30.60 3cmr s GLN 410 CO 0.02 -1.02 -0.14 -1.21 -0.25 0.00 0.00 175.29 172.70 3cmr s GLU 411 N -4.24 1.91 0.75 2.91 2.02 -1.26 -4.48 118.70 116.30 3cmr s GLU 411 Ca 0.64 -1.30 -0.16 0.00 0.02 0.00 0.00 54.97 54.17 3cmr s GLU 411 Cb -0.17 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3cmr s GLU 411 CO 0.41 0.44 0.56 0.72 0.02 0.00 0.00 175.26 177.41 3cmr n HIS 412 N 0.23 -0.72 -4.40 1.61 8.25 -1.26 -2.88 115.22 116.05 3cmr n HIS 412 Ca -0.12 0.34 -0.20 0.00 -0.26 0.00 0.00 57.72 57.48 3cmr n HIS 412 Cb 0.55 -1.92 -0.10 0.00 1.12 0.00 0.00 29.99 29.64 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 -1.96 1.49 -1.92 1.59 -4.23 -0.88 -4.82 115.64 104.90 3cmr s THR 413 Ca 0.65 -2.10 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 3cmr s THR 413 Cb -0.33 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.40 3cmr s THR 413 CO 0.58 -0.33 1.21 0.61 -0.54 0.00 0.00 174.62 176.16 3cmr n GLY 414 N -0.53 1.31 3.66 3.99 0.00 -1.26 -2.95 105.19 109.42 3cmr n GLY 414 Ca -0.06 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 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 1.06 2.64 -4.47 1.61 2.88 -1.26 -4.81 113.62 111.26 3cmr n SER 415 Ca 0.14 1.14 -0.34 0.00 -1.33 0.00 0.00 58.87 58.48 3cmr n SER 415 Cb 0.48 -1.41 0.11 0.00 -0.75 0.00 0.00 64.21 62.65 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 2.11 -0.11 -3.86 -1.46 10.64 -1.26 -4.25 117.38 119.19 3cmr n GLN 416 Ca 0.12 0.02 -0.09 0.00 -1.83 0.00 0.00 57.00 55.22 3cmr n GLN 416 Cb 0.30 -1.95 -0.05 0.00 -0.86 0.00 0.00 30.24 27.69 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 -1.75 0.28 0.28 2.61 0.05 -1.02 -4.89 118.68 114.24 3cmr s LEU 417 Ca 0.61 -0.69 -0.30 0.00 0.05 0.00 0.00 54.13 53.81 3cmr s LEU 417 Cb -0.25 1.90 -0.11 0.00 -2.05 0.00 0.00 46.19 45.68 3cmr s LEU 417 CO 0.63 -1.07 1.53 -0.60 -0.55 0.00 0.00 176.35 176.29 3cmr s ARG 418 N -3.93 4.18 -0.05 1.48 3.52 -1.26 -1.14 118.95 121.75 3cmr s ARG 418 Ca 0.14 2.47 0.03 0.00 -0.13 0.00 0.00 55.73 58.24 3cmr s ARG 418 Cb -0.00 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 3cmr s ARG 418 CO 0.02 -0.54 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.33 3cmr s ILE 419 N -0.06 1.19 0.05 4.11 2.07 -0.63 -4.28 121.20 123.65 3cmr s ILE 419 Ca 0.61 -0.56 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 3cmr s ILE 419 Cb -0.45 -1.05 -0.02 0.00 0.13 0.00 0.00 42.46 41.06 3cmr s ILE 419 CO 0.47 0.36 -0.12 0.00 -1.91 0.00 0.00 174.94 173.73 3cmr s ALA 420 N 0.30 1.01 0.07 1.50 0.00 -0.41 -1.29 121.76 122.94 3cmr s ALA 420 Ca -0.08 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3cmr s ALA 420 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3cmr s ALA 420 CO 0.02 0.14 0.11 0.00 0.00 0.00 0.00 175.76 176.03 3cmr s ALA 421 N -1.13 0.03 -0.02 0.00 0.00 0.34 -0.77 121.76 120.21 3cmr s ALA 421 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3cmr s ALA 421 Cb -0.09 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.44 3cmr s ALA 421 CO 0.01 -0.44 0.00 -0.47 0.00 0.00 0.00 175.76 174.87 3cmr s TYR 422 N -3.74 0.22 0.00 0.00 5.04 0.04 -2.48 117.35 116.43 3cmr s TYR 422 Ca 0.04 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 3cmr s TYR 422 Cb 0.05 -0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.05 3cmr s TYR 422 CO -0.10 -0.09 0.00 0.41 -1.34 0.00 0.00 175.55 174.43 3cmr n GLY 423 N 3.92 -1.02 3.73 8.97 0.00 -1.26 -0.66 105.19 118.87 3cmr n GLY 423 Ca -0.24 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 3cmr n GLY 423 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cmr n PRO 424 N 0.00 2.77 -0.98 1.61 -0.02 -1.26 -1.72 135.00 135.39 3cmr n PRO 424 Ca 0.00 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3cmr n PRO 424 Cb 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 3cmr n PRO 424 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3cmr n HIS 425 N 3.51 0.00 0.30 6.00 8.25 -0.13 -4.64 115.22 128.52 3cmr n HIS 425 Ca 0.14 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.76 3cmr n HIS 425 Cb 0.35 -0.76 0.94 0.00 1.12 0.00 0.00 29.99 31.64 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 1.48 -0.91 -1.41 0.00 -1.58 -1.86 119.26 114.98 3cmr h ALA 426 Ca 0.00 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.15 3cmr h ALA 426 Cb 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3cmr h ALA 426 CO 0.00 0.01 0.63 0.00 0.00 0.00 0.00 179.25 179.88 3cmr h ALA 427 N 2.00 2.56 0.00 0.00 0.00 -1.89 -2.66 119.26 119.27 3cmr h ALA 427 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cmr h ALA 427 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3cmr h ALA 427 CO 0.00 -0.84 0.00 0.09 0.00 0.00 0.00 179.25 178.50 3cmr n ASN 428 N -4.39 0.00 0.00 0.00 3.02 -0.70 -1.71 115.26 111.48 3cmr n ASN 428 Ca 0.19 -0.45 0.11 0.00 -0.03 0.00 0.00 54.58 54.40 3cmr n ASN 428 Cb 0.86 -0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.07 0.03 -2.70 2.41 0.31 -1.00 -4.97 118.33 111.34 3cmr n VAL 429 Ca 0.13 -0.13 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 3cmr n VAL 429 Cb 0.08 0.64 -0.04 0.00 -0.91 0.00 0.00 33.84 33.62 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 -3.12 4.62 0.00 2.52 1.01 -0.70 -3.19 120.40 121.54 3cmr s VAL 430 Ca 0.05 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3cmr s VAL 430 Cb 0.15 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3cmr s VAL 430 CO 0.85 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3cmr n GLY 431 N -1.21 -1.18 3.68 4.51 0.00 -1.25 -4.68 105.19 105.06 3cmr n GLY 431 Ca 0.05 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 4.22 0.34 0.99 2.96 -1.26 -2.23 118.68 123.70 3cmr s LEU 432 Ca 0.00 1.60 0.04 0.00 -0.22 0.00 0.00 54.13 55.55 3cmr s LEU 432 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 3cmr s LEU 432 CO 0.00 -0.56 0.18 0.42 -1.32 0.00 0.00 176.35 175.07 3cmr s THR 433 N 2.45 0.30 0.08 3.68 -4.23 -0.87 -5.01 115.64 112.04 3cmr s THR 433 Ca 0.50 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 3cmr s THR 433 Cb -0.20 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 3cmr s THR 433 CO 0.16 0.00 0.01 -0.62 -0.54 0.00 0.00 174.62 173.63 3cmr s ASP 434 N -3.43 5.08 0.49 3.99 2.15 -1.26 -1.33 116.67 122.36 3cmr s ASP 434 Ca 0.34 -0.14 0.33 0.00 0.43 0.00 0.00 52.55 53.51 3cmr s ASP 434 Cb 0.04 -1.24 1.44 0.00 -0.30 0.00 0.00 42.92 42.85 3cmr s ASP 434 CO 0.19 0.19 1.72 -0.61 -0.17 0.00 0.00 175.17 176.50 3cmr h GLN 435 N 3.56 0.11 0.00 4.34 4.15 -1.50 0.40 115.11 126.17 3cmr h GLN 435 Ca -0.48 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.87 3cmr h GLN 435 Cb 1.17 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 3cmr h GLN 435 CO 0.60 0.08 -0.33 1.79 -1.93 0.00 0.00 178.83 179.03 3cmr h THR 436 N 0.12 0.75 -0.42 2.39 1.35 -1.84 -2.47 112.91 112.79 3cmr h THR 436 Ca 0.68 -1.47 0.04 0.00 -0.55 0.00 0.00 66.41 65.11 3cmr h THR 436 Cb 2.36 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 70.69 3cmr h THR 436 CO -0.17 0.33 0.28 0.44 -0.25 0.00 0.00 175.52 176.15 3cmr h ASP 437 N 0.00 0.37 -1.00 5.36 3.32 -1.25 -2.59 116.42 120.63 3cmr h ASP 437 Ca -0.00 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3cmr h ASP 437 Cb 0.91 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.32 3cmr h ASP 437 CO 0.04 0.25 0.66 0.25 -1.72 0.00 0.00 179.24 178.72 3cmr h LEU 438 N 0.43 1.10 -0.19 1.55 5.85 -1.47 0.51 115.31 123.09 3cmr h LEU 438 Ca 0.17 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3cmr h LEU 438 Cb 0.15 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3cmr h LEU 438 CO -0.04 0.76 -0.09 0.15 -0.34 0.00 0.00 178.44 178.88 3cmr h PHE 439 N 1.28 -0.22 -0.01 1.25 3.57 -1.44 -0.99 116.94 120.39 3cmr h PHE 439 Ca 0.39 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.79 3cmr h PHE 439 Cb -0.03 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3cmr h PHE 439 CO -0.00 -0.15 -0.59 1.88 -2.23 0.00 0.00 178.31 177.22 3cmr h TYR 440 N -0.07 0.02 -0.35 0.41 0.05 -1.17 -1.16 116.97 114.71 3cmr h TYR 440 Ca 0.11 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 3cmr h TYR 440 Cb 0.23 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3cmr h TYR 440 CO -0.25 0.60 0.10 1.15 -1.05 0.00 0.00 178.16 178.71 3cmr h THR 441 N 0.01 1.22 -0.36 -2.88 2.02 0.39 -1.27 112.91 112.03 3cmr h THR 441 Ca -0.01 -0.71 -0.15 0.00 0.77 0.00 0.00 66.41 66.31 3cmr h THR 441 Cb 1.05 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3cmr h THR 441 CO 0.08 0.24 -0.36 0.24 0.37 0.00 0.00 175.52 176.09 3cmr h MET 442 N 0.40 0.89 -0.33 6.66 2.86 -0.89 -1.46 114.93 123.06 3cmr h MET 442 Ca 0.11 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3cmr h MET 442 Cb 0.27 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3cmr h MET 442 CO -0.00 1.12 0.19 -0.22 1.06 0.00 0.00 176.91 179.06 3cmr h LYS 443 N 0.69 0.45 -0.31 1.72 3.64 -1.19 -1.99 116.57 119.57 3cmr h LYS 443 Ca 0.06 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 3cmr h LYS 443 Cb 0.95 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3cmr h LYS 443 CO 0.09 0.36 -0.50 0.00 -2.27 0.00 0.00 179.45 177.12 3cmr h ALA 444 N 1.07 0.52 -0.78 5.00 0.00 -1.16 -1.18 119.26 122.73 3cmr h ALA 444 Ca 0.12 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3cmr h ALA 444 Cb 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3cmr h ALA 444 CO -0.02 0.68 0.49 0.00 0.00 0.00 0.00 179.25 180.40 3cmr h ALA 445 N 0.74 1.04 -0.00 0.00 0.00 -1.12 -1.07 119.26 118.84 3cmr h ALA 445 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cmr h ALA 445 Cb 1.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3cmr h ALA 445 CO 0.11 0.26 -0.31 1.28 0.00 0.00 0.00 179.25 180.59 3cmr n LEU 446 N -4.64 0.40 -1.60 0.00 4.32 -0.76 -1.08 117.00 113.64 3cmr n LEU 446 Ca 0.10 0.12 -0.12 0.00 -0.02 0.00 0.00 56.01 56.09 3cmr n LEU 446 Cb 0.12 -0.30 0.01 0.00 -1.62 0.00 0.00 43.42 41.63 3cmr n LEU 446 CO 0.32 0.09 -0.03 0.61 -1.22 0.00 0.00 177.39 177.17 3cmr n GLY 447 N 1.47 0.03 0.13 -0.72 0.00 -0.41 -4.98 105.19 100.71 3cmr n GLY 447 Ca 0.07 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.92 3cmr n GLY 447 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36