#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2p s HIS 2 N 0.00 3.76 0.34 4.41 3.76 -1.26 -1.41 115.29 124.88 1c2p s HIS 2 Ca 0.00 1.81 0.01 0.00 -0.15 0.00 0.00 55.06 56.74 1c2p s HIS 2 Cb 0.00 -2.96 0.60 0.00 1.11 0.00 0.00 32.58 31.33 1c2p s HIS 2 CO 0.00 0.23 2.00 0.66 -0.85 0.00 0.00 174.74 176.78 1c2p h SER 3 N 3.44 0.77 -5.12 1.40 4.64 -1.19 -3.41 113.55 114.08 1c2p h SER 3 Ca -0.46 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 1c2p h SER 3 Cb 1.20 -0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 62.95 1c2p h SER 3 CO 0.66 0.56 -0.27 -0.31 -0.87 0.00 0.00 176.83 176.60 1c2p s TYR 4 N -5.75 0.02 0.00 4.77 2.02 -1.26 -1.08 117.35 116.07 1c2p s TYR 4 Ca -0.10 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1c2p s TYR 4 Cb 0.18 0.05 -0.01 0.00 -0.40 0.00 0.00 41.96 41.78 1c2p s TYR 4 CO 0.77 -0.59 -0.11 0.95 -1.57 0.00 0.00 175.55 175.01 1c2p s THR 5 N -3.70 0.83 0.08 -0.71 -4.23 -0.65 -4.84 115.64 102.42 1c2p s THR 5 Ca 0.03 -0.57 0.09 0.00 -1.18 0.00 0.00 61.69 60.07 1c2p s THR 5 Cb 0.03 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 1c2p s THR 5 CO -0.11 0.14 -0.25 0.26 -0.54 0.00 0.00 174.62 174.13 1c2p s TRP 6 N -0.42 2.14 -0.06 3.99 0.52 -1.26 -0.54 118.94 123.31 1c2p s TRP 6 Ca 0.03 -0.40 0.14 0.00 0.02 0.00 0.00 56.10 55.89 1c2p s TRP 6 Cb -0.05 -1.22 -0.21 0.00 -1.15 0.00 0.00 33.47 30.84 1c2p s TRP 6 CO -0.00 0.21 0.68 0.25 0.02 0.00 0.00 176.95 178.11 1c2p n THR 7 N 1.37 1.51 0.00 2.01 -2.24 -0.04 -4.91 114.28 111.98 1c2p n THR 7 Ca -0.18 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1c2p n THR 7 Cb 0.53 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1c2p n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c2p n GLY 8 N 1.52 2.17 3.76 3.38 0.00 -1.26 -5.07 105.19 109.69 1c2p n GLY 8 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1c2p n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2p s ALA 9 N -2.03 2.95 0.48 4.61 0.00 -1.26 -4.98 121.76 121.53 1c2p s ALA 9 Ca 0.00 1.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 1c2p s ALA 9 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1c2p s ALA 9 CO 0.00 -1.09 0.98 -0.51 0.00 0.00 0.00 175.76 175.15 1c2p s LEU 10 N -3.18 3.76 -0.28 0.00 1.43 -1.26 -4.79 118.68 114.36 1c2p s LEU 10 Ca 0.67 1.67 -0.23 0.00 -1.03 0.00 0.00 54.13 55.20 1c2p s LEU 10 Cb -0.37 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.32 1c2p s LEU 10 CO 0.45 -0.56 0.79 -0.63 0.23 0.00 0.00 176.35 176.62 1c2p s ILE 11 N -2.37 4.83 0.14 -0.59 1.01 -1.26 -4.81 121.20 118.15 1c2p s ILE 11 Ca 0.61 1.32 0.04 0.00 0.00 0.00 0.00 60.65 62.63 1c2p s ILE 11 Cb -0.11 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1c2p s ILE 11 CO 0.23 -0.16 0.13 0.42 0.00 0.00 0.00 174.94 175.56 1c2p s THR 12 N 2.87 4.53 0.68 2.92 -4.23 -1.26 -4.93 115.64 116.22 1c2p s THR 12 Ca 0.33 -0.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1c2p s THR 12 Cb -0.15 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1c2p s THR 12 CO 0.10 -0.05 1.06 -2.16 -0.54 0.00 0.00 174.62 173.03 1c2p s PRO 13 N -2.94 3.05 0.00 3.99 0.04 -1.26 -4.36 135.00 133.52 1c2p s PRO 13 Ca 0.31 0.74 0.19 0.00 0.04 0.00 0.00 61.00 62.28 1c2p s PRO 13 Cb -0.11 -2.02 0.15 0.00 0.04 0.00 0.00 34.50 32.57 1c2p s PRO 13 CO 0.23 -0.97 1.11 0.00 0.04 0.00 0.00 177.00 177.42 1c2p n ALA 15 N 1.07 -2.39 -1.77 0.00 0.00 -1.26 -5.14 120.51 111.03 1c2p n ALA 15 Ca 0.11 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1c2p n ALA 15 Cb 0.48 0.16 -0.01 0.00 0.00 0.00 0.00 19.45 20.08 1c2p n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c2p s ALA 16 N -1.70 3.38 -0.05 0.00 0.00 -1.26 -5.02 121.76 117.12 1c2p s ALA 16 Ca 0.20 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.50 1c2p s ALA 16 Cb -0.01 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1c2p s ALA 16 CO 0.00 -0.78 -0.23 -1.21 0.00 0.00 0.00 175.76 173.54 1c2p s GLU 17 N -2.06 2.47 -0.12 0.00 2.02 -1.26 -5.12 118.70 114.63 1c2p s GLU 17 Ca 0.53 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.63 1c2p s GLU 17 Cb -0.40 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 1c2p s GLU 17 CO 0.52 0.46 -0.01 -1.21 0.02 0.00 0.00 175.26 175.04 1c2p s GLU 18 N -0.35 3.31 -0.05 1.61 2.02 -1.26 -4.99 118.70 118.99 1c2p s GLU 18 Ca 0.02 -0.45 0.09 0.00 0.02 0.00 0.00 54.97 54.65 1c2p s GLU 18 Cb -0.12 -2.86 -0.13 0.00 0.10 0.00 0.00 34.13 31.11 1c2p s GLU 18 CO 0.02 0.49 0.13 -1.13 0.02 0.00 0.00 175.26 174.79 1c2p n SER 19 N 2.78 2.75 -4.84 -0.19 3.41 -1.26 -4.56 113.62 111.70 1c2p n SER 19 Ca -0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.06 1c2p n SER 19 Cb 0.53 1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 65.51 1c2p n SER 19 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1c2p s LYS 20 N -2.46 3.88 -0.19 4.33 0.00 -1.26 -1.58 119.74 122.47 1c2p s LYS 20 Ca -0.04 0.36 -0.35 0.00 0.00 0.00 0.00 55.97 55.95 1c2p s LYS 20 Cb 0.05 -3.16 -0.12 0.00 0.00 0.00 0.00 37.83 34.60 1c2p s LYS 20 CO 0.39 0.66 1.96 -0.11 0.00 0.00 0.00 175.35 178.25 1c2p n LEU 21 N 1.60 3.00 -4.77 2.77 7.94 -1.25 -4.92 117.00 121.37 1c2p n LEU 21 Ca -0.12 0.80 -0.39 0.00 -1.11 0.00 0.00 56.01 55.19 1c2p n LEU 21 Cb 0.52 -1.33 -0.01 0.00 0.53 0.00 0.00 43.42 43.13 1c2p n LEU 21 CO 0.38 -0.31 0.88 -2.84 -1.11 0.00 0.00 177.39 174.40 1c2p s PRO 22 N 4.69 4.01 -0.09 1.96 0.02 -1.26 -5.02 135.00 139.31 1c2p s PRO 22 Ca 0.98 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.98 1c2p s PRO 22 Cb -0.75 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1c2p s PRO 22 CO 0.52 -0.39 -0.21 0.42 -0.33 0.00 0.00 177.00 177.01 1c2p s ILE 23 N -1.36 1.79 0.00 2.83 -1.09 -1.26 -4.72 121.20 117.39 1c2p s ILE 23 Ca 0.57 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1c2p s ILE 23 Cb -0.33 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 1c2p s ILE 23 CO 0.42 0.50 0.00 -0.46 -1.23 0.00 0.00 174.94 174.17 1c2p n ASN 24 N 3.54 1.24 0.25 3.58 6.94 -1.26 -5.02 115.26 124.53 1c2p n ASN 24 Ca -0.20 -0.80 0.17 0.00 -0.02 0.00 0.00 54.58 53.72 1c2p n ASN 24 Cb 0.53 0.00 0.69 0.00 -2.36 0.00 0.00 39.78 38.63 1c2p n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1c2p h ALA 25 N 1.00 1.00 0.00 -2.53 0.00 -2.00 -3.11 119.26 113.62 1c2p h ALA 25 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1c2p h ALA 25 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1c2p h ALA 25 CO 0.00 0.00 -1.23 1.28 0.00 0.00 0.00 179.25 179.30 1c2p n LEU 26 N -2.93 0.82 -0.19 0.00 4.77 -1.26 -4.59 117.00 113.62 1c2p n LEU 26 Ca 0.01 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1c2p n LEU 26 Cb 0.27 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1c2p n LEU 26 CO 0.25 -0.03 0.54 0.28 -1.33 0.00 0.00 177.39 177.11 1c2p h SER 27 N 0.00 -1.64 -0.00 -1.43 0.02 -1.89 -2.28 113.55 106.33 1c2p h SER 27 Ca -0.08 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1c2p h SER 27 Cb 1.27 0.71 -0.00 0.00 0.14 0.00 0.00 62.40 64.52 1c2p h SER 27 CO 0.02 -0.35 0.02 0.78 -1.14 0.00 0.00 176.83 176.16 1c2p h ASN 28 N -0.28 0.00 0.91 3.07 2.35 -1.81 -0.22 115.58 119.60 1c2p h ASN 28 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1c2p h ASN 28 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1c2p h ASN 28 CO -0.66 0.00 -0.24 0.77 -1.65 0.00 0.00 177.43 175.65 1c2p h SER 29 N 0.00 0.00 0.00 5.81 4.64 -1.71 -3.34 113.55 118.95 1c2p h SER 29 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.94 1c2p h SER 29 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 1c2p h SER 29 CO -0.00 0.24 -2.34 -0.11 -0.87 0.00 0.00 176.83 173.75 1c2p n LEU 30 N -3.41 2.18 -3.73 5.97 7.94 -0.26 -4.66 117.00 121.03 1c2p n LEU 30 Ca 0.00 0.14 -0.13 0.00 -1.11 0.00 0.00 56.01 54.92 1c2p n LEU 30 Cb 0.43 -0.75 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 1c2p n LEU 30 CO 0.34 0.64 -0.14 -0.22 -1.11 0.00 0.00 177.39 176.90 1c2p s LEU 31 N -6.96 0.48 -0.17 -1.96 0.20 -0.26 -4.14 118.68 105.86 1c2p s LEU 31 Ca -0.33 0.48 0.17 0.00 0.69 0.00 0.00 54.13 55.14 1c2p s LEU 31 Cb 0.11 0.65 -0.24 0.00 -0.43 0.00 0.00 46.19 46.28 1c2p s LEU 31 CO 0.46 -0.16 0.10 0.54 -0.29 0.00 0.00 176.35 177.01 1c2p n ARG 32 N 4.22 0.86 -2.12 1.98 1.74 -0.22 -4.03 116.66 119.09 1c2p n ARG 32 Ca -0.26 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 1c2p n ARG 32 Cb 0.53 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1c2p n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1c2p n HIS 33 N -2.66 3.06 0.11 -1.55 8.25 -0.81 -4.77 115.22 116.86 1c2p n HIS 33 Ca -0.28 -2.85 0.18 0.00 -0.26 0.00 0.00 57.72 54.51 1c2p n HIS 33 Cb 1.06 -2.13 0.75 0.00 1.12 0.00 0.00 29.99 30.80 1c2p n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1c2p h HIS 34 N 5.73 0.00 0.00 4.41 3.86 -1.84 -3.37 115.15 123.94 1c2p h HIS 34 Ca 0.47 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.50 1c2p h HIS 34 Cb 0.60 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 1c2p h HIS 34 CO 1.35 0.00 0.30 0.09 0.86 0.00 0.00 177.93 180.53 1c2p n ASN 35 N -4.03 4.14 0.00 2.45 3.02 -1.26 -4.62 115.26 114.96 1c2p n ASN 35 Ca 0.05 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 1c2p n ASN 35 Cb 0.47 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1c2p n ASN 35 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1c2p n VAL 37 N 2.82 0.00 -3.64 2.41 0.31 -1.26 -4.90 118.33 114.08 1c2p n VAL 37 Ca 0.35 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.57 1c2p n VAL 37 Cb 0.60 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.49 1c2p n VAL 37 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1c2p s TYR 38 N 0.00 -0.27 -0.02 3.52 1.13 -0.92 -3.87 117.35 116.94 1c2p s TYR 38 Ca 0.00 -0.04 0.07 0.00 -1.41 0.00 0.00 57.07 55.69 1c2p s TYR 38 Cb 0.00 0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 41.29 1c2p s TYR 38 CO 0.00 -0.89 -0.23 0.00 -2.51 0.00 0.00 175.55 171.91 1c2p s ALA 39 N -3.83 2.29 0.41 9.51 0.00 -0.61 -1.23 121.76 128.30 1c2p s ALA 39 Ca 0.06 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 1c2p s ALA 39 Cb -0.01 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 1c2p s ALA 39 CO -0.06 0.54 1.01 0.95 0.00 0.00 0.00 175.76 178.20 1c2p s THR 40 N -0.67 3.93 0.25 0.00 -4.23 0.18 -4.53 115.64 110.57 1c2p s THR 40 Ca 0.11 1.39 0.01 0.00 -1.18 0.00 0.00 61.69 62.02 1c2p s THR 40 Cb -0.10 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1c2p s THR 40 CO -0.00 -0.08 0.16 0.42 -0.54 0.00 0.00 174.62 174.58 1c2p s THR 41 N -1.81 0.11 0.33 3.99 -4.23 -1.26 -3.80 115.64 108.97 1c2p s THR 41 Ca 0.59 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.43 1c2p s THR 41 Cb -0.18 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.47 1c2p s THR 41 CO 0.23 0.00 1.99 0.77 -0.54 0.00 0.00 174.62 177.07 1c2p h SER 42 N 2.44 0.00 0.04 3.99 4.64 -1.87 -2.37 113.55 120.42 1c2p h SER 42 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1c2p h SER 42 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1c2p h SER 42 CO 0.51 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.50 1c2p h ARG 43 N 0.00 0.00 -0.24 4.77 3.08 -1.96 -0.99 114.38 119.04 1c2p h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1c2p h ARG 43 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1c2p h ARG 43 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1c2p n SER 44 N -2.73 2.60 -0.09 7.04 3.41 -0.89 -4.64 113.62 118.32 1c2p n SER 44 Ca -0.02 -1.84 0.14 0.00 -0.26 0.00 0.00 58.87 56.89 1c2p n SER 44 Cb 0.06 -0.16 0.53 0.00 -0.26 0.00 0.00 64.21 64.38 1c2p n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c2p h ALA 45 N 2.01 2.10 -0.50 7.33 0.00 -1.32 -1.63 119.26 127.25 1c2p h ALA 45 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1c2p h ALA 45 Cb 0.64 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1c2p h ALA 45 CO 0.00 -0.26 0.32 0.78 0.00 0.00 0.00 179.25 180.09 1c2p h GLY 46 N 0.36 0.71 1.01 0.00 0.00 -1.82 0.47 103.07 103.80 1c2p h GLY 46 Ca 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1c2p h GLY 46 CO -0.08 0.23 0.35 1.41 0.00 0.00 0.00 176.54 178.45 1c2p h LEU 47 N 0.65 0.92 -0.47 3.11 3.38 -1.65 -2.48 115.31 118.78 1c2p h LEU 47 Ca 0.19 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1c2p h LEU 47 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1c2p h LEU 47 CO -0.06 0.79 0.19 -0.09 0.09 0.00 0.00 178.44 179.35 1c2p h ARG 48 N 0.98 0.70 -0.98 1.13 9.65 -1.17 -2.46 114.38 122.23 1c2p h ARG 48 Ca 0.24 -0.13 0.17 0.00 -1.10 0.00 0.00 59.98 59.17 1c2p h ARG 48 Cb 0.11 -0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 28.47 1c2p h ARG 48 CO -0.03 0.63 0.59 1.96 2.80 0.00 0.00 179.97 185.91 1c2p h GLN 49 N 0.61 0.76 -0.32 0.20 4.20 -0.50 -0.77 115.11 119.29 1c2p h GLN 49 Ca 0.16 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1c2p h GLN 49 Cb 0.19 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1c2p h GLN 49 CO -0.01 0.50 -0.30 0.87 -0.67 0.00 0.00 178.83 179.22 1c2p h LYS 50 N 0.78 0.68 -0.33 1.46 1.57 -1.02 -2.53 116.57 117.19 1c2p h LYS 50 Ca 0.54 -0.30 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1c2p h LYS 50 Cb 0.78 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1c2p h LYS 50 CO -0.36 0.90 -0.40 0.87 -0.57 0.00 0.00 179.45 179.89 1c2p h LYS 51 N 0.58 0.85 -0.01 3.15 1.57 -0.85 -3.25 116.57 118.63 1c2p h LYS 51 Ca 0.07 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1c2p h LYS 51 Cb 0.80 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1c2p h LYS 51 CO 0.07 1.12 -0.06 1.33 -0.57 0.00 0.00 179.45 181.33 1c2p n VAL 52 N -4.11 0.00 -3.56 0.50 0.24 -0.65 -4.79 118.33 105.97 1c2p n VAL 52 Ca -0.03 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.34 61.75 1c2p n VAL 52 Cb 0.55 0.04 -0.11 0.00 -1.47 0.00 0.00 33.84 32.84 1c2p n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1c2p s THR 53 N -2.21 4.82 0.24 3.34 2.01 -0.96 -4.68 115.64 118.19 1c2p s THR 53 Ca 0.36 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.40 1c2p s THR 53 Cb 0.21 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 69.10 1c2p s THR 53 CO 0.41 -0.22 0.81 0.72 -0.69 0.00 0.00 174.62 175.65 1c2p s PHE 54 N 1.60 -0.16 -0.01 4.92 -0.12 -1.26 -4.95 117.98 118.00 1c2p s PHE 54 Ca 0.03 -0.25 -0.18 0.00 -0.05 0.00 0.00 56.93 56.49 1c2p s PHE 54 Cb -0.19 0.69 -0.06 0.00 -0.63 0.00 0.00 43.02 42.83 1c2p s PHE 54 CO 0.08 -1.10 0.50 0.34 -0.05 0.00 0.00 175.22 174.99 1c2p s ASP 55 N -2.94 6.88 -0.03 1.98 2.15 -1.26 -0.66 116.67 122.79 1c2p s ASP 55 Ca 0.12 1.04 0.01 0.00 0.43 0.00 0.00 52.55 54.15 1c2p s ASP 55 Cb -0.04 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 1c2p s ASP 55 CO 0.05 0.20 -0.01 -0.13 -0.17 0.00 0.00 175.17 175.11 1c2p s ARG 56 N -0.53 2.81 -0.01 4.34 3.00 -0.50 -4.97 118.95 123.08 1c2p s ARG 56 Ca 0.27 -0.56 0.03 0.00 0.00 0.00 0.00 55.73 55.47 1c2p s ARG 56 Cb -0.17 -2.68 -0.00 0.00 0.00 0.00 0.00 34.95 32.10 1c2p s ARG 56 CO 0.15 0.65 -0.09 -0.51 0.00 0.00 0.00 175.30 175.50 1c2p s LEU 57 N -1.26 1.94 -0.02 2.53 1.02 -1.26 -4.82 118.68 116.81 1c2p s LEU 57 Ca 0.17 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.17 1c2p s LEU 57 Cb -0.11 -0.48 0.01 0.00 0.02 0.00 0.00 46.19 45.63 1c2p s LEU 57 CO 0.07 0.09 -0.06 -1.10 0.02 0.00 0.00 176.35 175.37 1c2p s GLN 58 N -0.08 0.66 -0.29 1.70 -0.21 -1.26 -4.01 119.66 116.17 1c2p s GLN 58 Ca 0.01 -0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.24 1c2p s GLN 58 Cb -0.05 -0.66 0.08 0.00 1.00 0.00 0.00 33.01 33.38 1c2p s GLN 58 CO -0.00 0.04 -0.00 0.08 -2.12 0.00 0.00 175.29 173.29 1c2p s VAL 59 N 0.33 1.74 -0.29 1.09 1.01 -0.59 -5.04 120.40 118.65 1c2p s VAL 59 Ca -0.04 -1.67 -0.14 0.00 0.00 0.00 0.00 61.98 60.13 1c2p s VAL 59 Cb -0.08 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1c2p s VAL 59 CO -0.00 -0.36 0.31 -0.76 0.00 0.00 0.00 175.10 174.30 1c2p s LEU 60 N 1.24 4.15 0.00 3.92 1.43 -1.26 -4.49 118.68 123.67 1c2p s LEU 60 Ca 0.02 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1c2p s LEU 60 Cb -0.19 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.74 1c2p s LEU 60 CO -0.10 -0.19 0.09 -0.90 0.23 0.00 0.00 176.35 175.49 1c2p n ASP 61 N 5.26 0.47 -0.03 2.29 5.75 -1.26 -4.98 116.55 124.05 1c2p n ASP 61 Ca -0.10 -1.21 -0.04 0.00 -0.01 0.00 0.00 54.79 53.43 1c2p n ASP 61 Cb 0.51 -0.04 0.18 0.00 -1.03 0.00 0.00 41.12 40.73 1c2p n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1c2p h ASP 62 N 0.03 0.60 -0.79 -1.12 3.32 -1.99 -2.42 116.42 114.05 1c2p h ASP 62 Ca -0.04 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1c2p h ASP 62 Cb 0.16 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1c2p h ASP 62 CO 0.05 0.79 0.51 0.45 -1.72 0.00 0.00 179.24 179.32 1c2p h HIS 63 N 0.54 1.01 0.06 4.55 3.86 -1.96 0.12 115.15 123.34 1c2p h HIS 63 Ca 0.09 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1c2p h HIS 63 Cb 0.62 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1c2p h HIS 63 CO 0.03 0.65 -0.03 -0.92 0.86 0.00 0.00 177.93 178.52 1c2p h TYR 64 N 1.08 -0.08 -0.25 2.45 3.20 -1.81 -1.69 116.97 119.87 1c2p h TYR 64 Ca 0.29 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 1c2p h TYR 64 Cb -0.09 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1c2p h TYR 64 CO -0.01 0.01 -0.20 0.00 -1.64 0.00 0.00 178.16 176.31 1c2p h ARG 65 N -0.14 0.46 0.04 1.82 3.08 -1.17 -2.13 114.38 116.34 1c2p h ARG 65 Ca -0.01 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1c2p h ARG 65 Cb 0.12 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1c2p h ARG 65 CO 0.01 0.64 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.10 1c2p h ASP 66 N 0.41 -0.05 -0.24 7.04 3.32 -0.56 -1.19 116.42 125.16 1c2p h ASP 66 Ca 0.07 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1c2p h ASP 66 Cb 0.59 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1c2p h ASP 66 CO 0.04 0.11 0.14 0.58 -1.72 0.00 0.00 179.24 178.39 1c2p h VAL 67 N -0.21 1.03 -0.98 -1.35 2.07 -1.26 -2.20 116.25 113.36 1c2p h VAL 67 Ca -0.01 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1c2p h VAL 67 Cb 0.19 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1c2p h VAL 67 CO 0.01 0.05 0.63 0.25 0.02 0.00 0.00 177.57 178.53 1c2p h LEU 68 N 0.29 0.96 -0.90 2.57 5.85 -1.29 -0.64 115.31 122.15 1c2p h LEU 68 Ca 0.09 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1c2p h LEU 68 Cb -0.01 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1c2p h LEU 68 CO -0.04 0.58 -0.07 0.50 -0.34 0.00 0.00 178.44 179.07 1c2p h LYS 69 N 1.07 0.73 -1.12 1.25 3.64 -0.73 -1.48 116.57 119.93 1c2p h LYS 69 Ca 0.45 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1c2p h LYS 69 Cb 0.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1c2p h LYS 69 CO -0.20 0.79 0.00 0.39 -2.27 0.00 0.00 179.45 178.16 1c2p n GLU 70 N -4.19 0.31 0.00 1.90 1.02 -0.25 -1.68 120.64 117.76 1c2p n GLU 70 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1c2p n GLU 70 Cb 0.33 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1c2p n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1c2p n LYS 72 N 0.64 0.00 -0.29 3.49 5.02 -0.56 -2.35 118.16 124.11 1c2p n LYS 72 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1c2p n LYS 72 Cb 0.12 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.27 1c2p n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2p h ALA 73 N 0.00 1.11 -0.20 7.82 0.00 -1.58 0.06 119.26 126.47 1c2p h ALA 73 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1c2p h ALA 73 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c2p h ALA 73 CO 0.00 0.22 -0.39 0.87 0.00 0.00 0.00 179.25 179.95 1c2p h LYS 74 N 0.90 0.62 0.00 0.00 1.57 -1.75 -3.00 116.57 114.91 1c2p h LYS 74 Ca 0.36 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1c2p h LYS 74 Cb 0.18 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1c2p h LYS 74 CO -0.18 1.01 -0.01 0.00 -0.57 0.00 0.00 179.45 179.71 1c2p h ALA 75 N 0.60 1.85 0.00 3.86 0.00 -1.72 -1.03 119.26 122.83 1c2p h ALA 75 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c2p h ALA 75 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1c2p h ALA 75 CO 0.09 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.78 1c2p n SER 76 N -4.34 0.50 -0.05 0.00 7.64 -0.04 -1.68 113.62 115.65 1c2p n SER 76 Ca -0.03 0.67 0.13 0.00 1.01 0.00 0.00 58.87 60.65 1c2p n SER 76 Cb 0.10 -0.76 0.36 0.00 -1.01 0.00 0.00 64.21 62.89 1c2p n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1c2p n THR 77 N -2.11 0.00 -2.79 0.44 -2.24 -0.39 -4.67 114.28 102.51 1c2p n THR 77 Ca 0.01 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1c2p n THR 77 Cb 0.12 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 1c2p n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1c2p s VAL 78 N -2.86 4.36 -0.16 2.28 1.01 -0.68 -4.95 120.40 119.39 1c2p s VAL 78 Ca 0.15 1.99 0.01 0.00 0.00 0.00 0.00 61.98 64.14 1c2p s VAL 78 Cb 0.18 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1c2p s VAL 78 CO 0.62 0.41 -0.20 -0.75 0.00 0.00 0.00 175.10 175.18 1c2p s LYS 79 N -0.56 3.02 0.12 2.72 2.20 -1.26 -0.33 119.74 125.65 1c2p s LYS 79 Ca 0.43 -0.83 0.10 0.00 -0.36 0.00 0.00 55.97 55.30 1c2p s LYS 79 Cb -0.24 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 1c2p s LYS 79 CO 0.29 -0.12 -0.25 0.00 -0.36 0.00 0.00 175.35 174.92 1c2p s ALA 80 N 1.08 2.16 0.26 3.13 0.00 -0.72 -4.95 121.76 122.73 1c2p s ALA 80 Ca -0.00 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 50.66 1c2p s ALA 80 Cb -0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1c2p s ALA 80 CO -0.08 0.47 0.02 0.15 0.00 0.00 0.00 175.76 176.33 1c2p s LYS 81 N -2.00 2.39 0.15 0.00 3.01 -1.26 -4.53 119.74 117.50 1c2p s LYS 81 Ca 0.11 -1.36 -0.20 0.00 -1.01 0.00 0.00 55.97 53.52 1c2p s LYS 81 Cb -0.10 -2.22 -0.07 0.00 -1.01 0.00 0.00 37.83 34.42 1c2p s LYS 81 CO 0.05 0.37 0.65 -1.17 0.51 0.00 0.00 175.35 175.77 1c2p s LEU 82 N -3.68 4.45 0.09 3.17 2.96 -1.26 -4.49 118.68 119.91 1c2p s LEU 82 Ca 0.31 1.35 -0.17 0.00 -0.22 0.00 0.00 54.13 55.40 1c2p s LEU 82 Cb -0.07 -3.25 -0.07 0.00 0.50 0.00 0.00 46.19 43.31 1c2p s LEU 82 CO 0.21 0.16 0.55 -0.76 -1.32 0.00 0.00 176.35 175.18 1c2p s LEU 83 N -1.54 4.46 1.07 -0.68 1.02 -1.26 -5.06 118.68 116.70 1c2p s LEU 83 Ca 0.36 1.17 -0.14 0.00 0.02 0.00 0.00 54.13 55.55 1c2p s LEU 83 Cb -0.18 -3.00 0.23 0.00 0.02 0.00 0.00 46.19 43.26 1c2p s LEU 83 CO 0.21 0.22 1.08 -0.94 0.02 0.00 0.00 176.35 176.94 1c2p s SER 84 N -1.32 1.95 0.18 2.29 1.04 -1.26 -4.82 113.70 111.77 1c2p s SER 84 Ca 0.32 1.11 -0.10 0.00 0.48 0.00 0.00 55.95 57.75 1c2p s SER 84 Cb -0.18 -1.73 0.08 0.00 0.10 0.00 0.00 66.02 64.29 1c2p s SER 84 CO 0.18 -3.54 1.68 0.58 0.98 0.00 0.00 173.24 173.13 1c2p h VAL 85 N -2.17 1.26 -0.36 5.02 2.07 -1.98 -2.37 116.25 117.72 1c2p h VAL 85 Ca -0.54 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1c2p h VAL 85 Cb 1.33 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1c2p h VAL 85 CO 0.53 0.35 0.19 1.05 0.02 0.00 0.00 177.57 179.71 1c2p h GLU 86 N 0.91 0.51 -0.78 1.57 9.09 -1.98 -0.14 114.58 123.76 1c2p h GLU 86 Ca 0.19 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.54 1c2p h GLU 86 Cb 0.38 -0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 27.34 1c2p h GLU 86 CO 0.01 0.43 0.48 0.93 0.05 0.00 0.00 179.01 180.91 1c2p h GLU 87 N 0.45 1.05 -0.46 1.06 5.08 -1.90 -1.36 114.58 118.51 1c2p h GLU 87 Ca 0.13 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1c2p h GLU 87 Cb 0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1c2p h GLU 87 CO -0.02 0.73 -0.25 0.00 -1.00 0.00 0.00 179.01 178.47 1c2p h ALA 88 N 1.26 0.68 -0.97 3.43 0.00 -1.22 -2.99 119.26 119.44 1c2p h ALA 88 Ca 0.28 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1c2p h ALA 88 Cb -0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1c2p h ALA 88 CO -0.06 0.67 0.64 0.00 0.00 0.00 0.00 179.25 180.51 1c2p h LYS 90 N 1.30 0.00 0.00 0.00 1.57 -1.13 -2.16 116.57 116.15 1c2p h LYS 90 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1c2p h LYS 90 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1c2p h LYS 90 CO -0.09 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 1c2p n LEU 91 N -4.18 0.00 -4.70 2.94 4.77 -0.82 -4.85 117.00 110.17 1c2p n LEU 91 Ca -0.03 0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 1c2p n LEU 91 Cb 0.19 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1c2p n LEU 91 CO 0.34 -0.01 0.67 -0.89 -1.33 0.00 0.00 177.39 176.16 1c2p s THR 92 N -2.57 4.87 0.35 -5.08 2.01 -0.81 -0.75 115.64 113.66 1c2p s THR 92 Ca 0.27 1.95 -0.29 0.00 0.31 0.00 0.00 61.69 63.94 1c2p s THR 92 Cb 0.19 -4.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.32 1c2p s THR 92 CO 0.44 0.12 1.50 -2.84 -0.69 0.00 0.00 174.62 173.15 1c2p s PRO 93 N 1.35 4.13 0.55 4.92 0.02 -1.26 -4.80 135.00 139.91 1c2p s PRO 93 Ca 0.48 2.55 0.27 0.00 0.02 0.00 0.00 61.00 64.32 1c2p s PRO 93 Cb -0.19 -2.99 1.46 0.00 0.02 0.00 0.00 34.50 32.80 1c2p s PRO 93 CO 0.23 -0.53 1.98 -1.35 -0.33 0.00 0.00 177.00 177.00 1c2p h PRO 94 N 3.50 0.00 -0.35 5.54 0.11 -1.95 -1.60 132.00 137.24 1c2p h PRO 94 Ca -0.50 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 1c2p h PRO 94 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1c2p h PRO 94 CO 0.68 0.00 -0.21 0.72 -0.21 0.00 0.00 178.00 178.98 1c2p n HIS 95 N -4.14 1.13 -2.28 0.65 8.25 -1.26 -4.25 115.22 113.33 1c2p n HIS 95 Ca 0.09 -1.72 -0.36 0.00 -0.26 0.00 0.00 57.72 55.47 1c2p n HIS 95 Cb 0.61 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 1c2p n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1c2p s SER 96 N -2.78 6.04 0.11 0.41 0.15 -0.60 -4.91 113.70 112.12 1c2p s SER 96 Ca 0.45 2.24 -0.36 0.00 0.70 0.00 0.00 55.95 58.98 1c2p s SER 96 Cb 0.41 -2.59 -0.15 0.00 -1.71 0.00 0.00 66.02 61.97 1c2p s SER 96 CO -0.01 -1.00 1.45 0.00 1.20 0.00 0.00 173.24 174.87 1c2p n ALA 97 N -0.77 -0.01 -0.90 5.45 0.00 -1.26 -4.27 120.51 118.76 1c2p n ALA 97 Ca 0.09 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 1c2p n ALA 97 Cb 0.49 -2.19 0.15 0.00 0.00 0.00 0.00 19.45 17.90 1c2p n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1c2p s LYS 98 N 0.77 1.22 0.53 0.00 -2.85 -1.26 -4.59 119.74 113.56 1c2p s LYS 98 Ca 0.83 1.30 -0.17 0.00 -1.00 0.00 0.00 55.97 56.93 1c2p s LYS 98 Cb -0.84 -1.77 -0.07 0.00 -2.06 0.00 0.00 37.83 33.09 1c2p s LYS 98 CO 0.44 -2.41 1.00 0.45 0.10 0.00 0.00 175.35 174.93 1c2p s SER 99 N -2.94 6.43 0.00 0.03 0.15 -0.38 -4.64 113.70 112.36 1c2p s SER 99 Ca 0.65 1.65 0.30 0.00 0.70 0.00 0.00 55.95 59.25 1c2p s SER 99 Cb -0.21 -2.52 1.62 0.00 -1.71 0.00 0.00 66.02 63.21 1c2p s SER 99 CO 0.58 -0.72 2.09 0.29 1.20 0.00 0.00 173.24 176.68 1c2p n LYS 100 N -1.62 0.61 -0.96 5.44 5.02 -1.26 -3.75 118.16 121.64 1c2p n LYS 100 Ca 0.07 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 1c2p n LYS 100 Cb 0.54 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.32 1c2p n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1c2p n PHE 101 N -1.19 2.20 -0.86 2.13 3.72 -1.26 -4.96 117.46 117.25 1c2p n PHE 101 Ca 0.17 -1.28 0.00 0.00 -0.05 0.00 0.00 57.45 56.29 1c2p n PHE 101 Cb 0.19 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 1c2p n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c2p n GLY 102 N -0.41 0.94 3.44 1.37 0.00 -1.25 -5.07 105.19 104.22 1c2p n GLY 102 Ca 0.40 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1c2p n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c2p s TYR 103 N -2.00 -0.51 0.05 1.61 -0.85 -1.26 -4.98 117.35 109.41 1c2p s TYR 103 Ca 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.83 1c2p s TYR 103 Cb 0.00 0.56 -0.00 0.00 0.38 0.00 0.00 41.96 42.90 1c2p s TYR 103 CO 0.00 -0.87 0.02 0.41 -1.52 0.00 0.00 175.55 173.59 1c2p n GLY 104 N -0.38 4.02 0.30 5.49 0.00 -1.26 -1.25 105.19 112.11 1c2p n GLY 104 Ca -0.16 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 43.96 1c2p n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2p h ALA 105 N 1.08 1.87 -0.47 4.61 0.00 -1.84 -0.62 119.26 123.89 1c2p h ALA 105 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1c2p h ALA 105 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1c2p h ALA 105 CO 0.06 0.10 -0.15 -0.22 0.00 0.00 0.00 179.25 179.04 1c2p h LYS 106 N 0.33 0.90 -0.40 0.00 1.63 -1.89 -0.13 116.57 117.02 1c2p h LYS 106 Ca 0.11 -0.34 -0.15 0.00 -0.85 0.00 0.00 60.65 59.42 1c2p h LYS 106 Cb 0.06 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1c2p h LYS 106 CO -0.02 0.99 -0.34 -0.44 -3.45 0.00 0.00 179.45 176.18 1c2p h ASP 107 N 0.80 0.98 0.16 4.20 3.32 -1.58 -1.59 116.42 122.71 1c2p h ASP 107 Ca 0.12 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1c2p h ASP 107 Cb 0.69 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1c2p h ASP 107 CO 0.05 1.22 -0.08 0.58 -1.72 0.00 0.00 179.24 179.29 1c2p h VAL 108 N 0.77 0.90 -0.29 -1.35 2.07 -0.87 -1.40 116.25 116.07 1c2p h VAL 108 Ca 0.07 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1c2p h VAL 108 Cb 0.93 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1c2p h VAL 108 CO 0.09 0.07 0.19 0.03 0.02 0.00 0.00 177.57 177.97 1c2p h ARG 109 N -0.36 0.32 -0.00 1.57 3.08 -1.00 -0.43 114.38 117.56 1c2p h ARG 109 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1c2p h ARG 109 Cb 0.28 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1c2p h ARG 109 CO 0.04 0.21 -0.09 0.09 -1.07 0.00 0.00 179.97 179.15 1c2p n ASN 110 N -4.49 0.38 -3.40 7.04 3.02 -0.60 -4.81 115.26 112.38 1c2p n ASN 110 Ca 0.02 -0.49 -0.23 0.00 -0.03 0.00 0.00 54.58 53.85 1c2p n ASN 110 Cb 0.11 -0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1c2p n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c2p n LEU 111 N -1.03 -3.22 -4.77 3.41 4.77 -0.17 -4.93 117.00 111.05 1c2p n LEU 111 Ca 0.14 -0.47 -0.40 0.00 -0.03 0.00 0.00 56.01 55.25 1c2p n LEU 111 Cb 0.27 -2.97 -0.00 0.00 -2.33 0.00 0.00 43.42 38.38 1c2p n LEU 111 CO 0.24 0.55 1.03 -0.94 -1.33 0.00 0.00 177.39 176.93 1c2p s SER 112 N -3.18 6.28 0.34 -1.43 1.04 -0.61 -4.76 113.70 111.38 1c2p s SER 112 Ca 0.51 2.80 0.09 0.00 0.48 0.00 0.00 55.95 59.84 1c2p s SER 112 Cb -0.23 -2.65 0.82 0.00 0.10 0.00 0.00 66.02 64.06 1c2p s SER 112 CO 0.64 -0.88 1.82 0.77 0.98 0.00 0.00 173.24 176.56 1c2p h SER 113 N 2.77 0.69 -0.28 7.02 4.64 -1.91 -0.46 113.55 126.01 1c2p h SER 113 Ca -0.50 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1c2p h SER 113 Cb 1.25 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1c2p h SER 113 CO 0.63 0.28 0.11 0.50 -0.87 0.00 0.00 176.83 177.48 1c2p h LYS 114 N 0.69 0.42 -0.25 4.77 3.64 -1.96 0.47 116.57 124.36 1c2p h LYS 114 Ca 0.52 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1c2p h LYS 114 Cb 0.89 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1c2p h LYS 114 CO -0.29 0.45 -0.03 0.00 -2.27 0.00 0.00 179.45 177.32 1c2p h ALA 115 N 0.95 0.34 -0.57 5.00 0.00 -1.56 -2.34 119.26 121.08 1c2p h ALA 115 Ca 0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1c2p h ALA 115 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1c2p h ALA 115 CO -0.01 0.11 0.09 0.28 0.00 0.00 0.00 179.25 179.72 1c2p h VAL 116 N 0.22 1.24 -0.47 0.00 2.07 -1.09 -0.63 116.25 117.60 1c2p h VAL 116 Ca 0.07 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1c2p h VAL 116 Cb 0.47 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1c2p h VAL 116 CO 0.02 0.35 0.07 0.78 0.02 0.00 0.00 177.57 178.81 1c2p h ASN 117 N 0.87 0.76 -0.25 0.57 2.35 -0.86 -1.71 115.58 117.31 1c2p h ASN 117 Ca 0.18 -0.26 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 1c2p h ASN 117 Cb 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1c2p h ASN 117 CO 0.01 0.83 -0.43 -0.74 -1.65 0.00 0.00 177.43 175.45 1c2p h HIS 118 N 0.66 0.98 -0.36 1.19 2.76 -1.23 -2.30 115.15 116.85 1c2p h HIS 118 Ca 0.14 -0.30 0.04 0.00 -2.20 0.00 0.00 60.37 58.05 1c2p h HIS 118 Cb 0.40 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1c2p h HIS 118 CO 0.03 1.09 0.15 0.82 -1.30 0.00 0.00 177.93 178.72 1c2p h ILE 119 N 0.65 0.92 -0.39 6.26 2.04 -1.00 -0.67 117.51 125.34 1c2p h ILE 119 Ca 0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1c2p h ILE 119 Cb 1.00 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1c2p h ILE 119 CO 0.10 0.06 0.25 0.45 0.00 0.00 0.00 178.15 179.01 1c2p h HIS 120 N 0.31 0.49 -0.11 1.37 3.86 -1.17 -0.99 115.15 118.91 1c2p h HIS 120 Ca 0.16 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.21 1c2p h HIS 120 Cb 0.12 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1c2p h HIS 120 CO -0.13 0.31 -0.67 0.66 0.86 0.00 0.00 177.93 178.96 1c2p h SER 121 N 0.52 0.51 -0.32 2.45 4.64 -0.74 -1.54 113.55 119.08 1c2p h SER 121 Ca 0.14 -0.31 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 1c2p h SER 121 Cb -0.06 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1c2p h SER 121 CO -0.03 1.04 -0.28 0.58 -0.87 0.00 0.00 176.83 177.27 1c2p h VAL 122 N 0.31 1.29 0.12 0.95 2.07 -0.46 -1.58 116.25 118.95 1c2p h VAL 122 Ca -0.02 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1c2p h VAL 122 Cb 1.23 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1c2p h VAL 122 CO 0.12 0.47 -0.06 -0.25 0.02 0.00 0.00 177.57 177.87 1c2p h TRP 123 N 0.51 -0.15 -0.86 1.57 2.91 -1.16 -0.69 115.95 118.09 1c2p h TRP 123 Ca 0.05 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.17 1c2p h TRP 123 Cb 0.85 0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 29.47 1c2p h TRP 123 CO 0.07 -0.01 0.51 -0.22 -1.03 0.00 0.00 178.44 177.76 1c2p h LYS 124 N -0.26 0.82 -0.57 2.65 3.64 -1.28 -1.01 116.57 120.56 1c2p h LYS 124 Ca -0.02 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1c2p h LYS 124 Cb 0.21 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1c2p h LYS 124 CO 0.03 0.54 0.11 0.22 -2.27 0.00 0.00 179.45 178.08 1c2p h ASP 125 N 0.84 0.84 -0.31 4.20 3.58 -0.96 -1.96 116.42 122.65 1c2p h ASP 125 Ca 0.42 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 1c2p h ASP 125 Cb 0.38 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1c2p h ASP 125 CO -0.25 0.84 0.07 -0.07 -2.88 0.00 0.00 179.24 176.95 1c2p h LEU 126 N 0.85 0.55 -0.21 2.28 3.38 0.19 -0.41 115.31 121.94 1c2p h LEU 126 Ca 0.18 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 1c2p h LEU 126 Cb 0.35 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1c2p h LEU 126 CO 0.00 0.57 -0.74 -0.07 0.09 0.00 0.00 178.44 178.30 1c2p h LEU 127 N 0.58 0.91 0.00 1.67 3.38 -0.84 -3.32 115.31 117.69 1c2p h LEU 127 Ca 0.13 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1c2p h LEU 127 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1c2p h LEU 127 CO 0.00 1.37 -0.62 -0.33 0.09 0.00 0.00 178.44 178.95 1c2p h GLU 128 N 0.54 0.00 -4.46 1.13 5.08 -1.20 -3.44 114.58 112.23 1c2p h GLU 128 Ca -0.04 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.75 1c2p h GLU 128 Cb 1.36 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.24 1c2p h GLU 128 CO 0.15 0.54 -0.82 0.34 -1.00 0.00 0.00 179.01 178.23 1c2p s ASP 129 N -6.44 2.48 -0.18 1.42 -1.08 -0.18 -4.99 116.67 107.69 1c2p s ASP 129 Ca 0.03 -0.42 0.14 0.00 -0.52 0.00 0.00 52.55 51.79 1c2p s ASP 129 Cb 0.08 -1.03 0.38 0.00 -1.46 0.00 0.00 42.92 40.90 1c2p s ASP 129 CO 0.76 -0.09 1.23 0.35 0.52 0.00 0.00 175.17 177.94 1c2p n THR 130 N 4.85 2.12 0.00 1.71 -2.24 -1.26 -4.55 114.28 114.91 1c2p n THR 130 Ca -0.15 -2.76 0.00 0.00 -2.27 0.00 0.00 64.05 58.87 1c2p n THR 130 Cb 0.50 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1c2p n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1c2p n VAL 131 N -1.21 0.00 -1.88 2.28 0.31 -1.26 -4.62 118.33 111.94 1c2p n VAL 131 Ca 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.10 1c2p n VAL 131 Cb 0.71 -0.43 -0.03 0.00 -0.91 0.00 0.00 33.84 33.18 1c2p n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1c2p s THR 132 N -1.67 3.37 0.27 2.52 2.01 -1.26 -4.72 115.64 116.15 1c2p s THR 132 Ca 0.00 0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1c2p s THR 132 Cb 0.00 -3.33 -0.13 0.00 0.01 0.00 0.00 72.50 69.06 1c2p s THR 132 CO 0.00 -0.09 1.46 -2.65 -0.69 0.00 0.00 174.62 172.65 1c2p n PRO 133 N 7.60 2.28 -3.21 4.92 -0.02 -1.26 -4.69 135.00 140.61 1c2p n PRO 133 Ca 0.20 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 62.11 1c2p n PRO 133 Cb 0.43 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1c2p n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1c2p s ILE 134 N -0.15 4.67 0.55 4.25 1.01 0.16 -4.93 121.20 126.76 1c2p s ILE 134 Ca 0.65 1.25 -0.19 0.00 0.00 0.00 0.00 60.65 62.36 1c2p s ILE 134 Cb -0.59 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 1c2p s ILE 134 CO 0.51 0.46 1.13 -0.62 0.00 0.00 0.00 174.94 176.42 1c2p s ASP 135 N -1.27 5.66 0.04 3.58 2.15 -1.26 -4.26 116.67 121.30 1c2p s ASP 135 Ca 0.33 2.19 -0.01 0.00 0.43 0.00 0.00 52.55 55.49 1c2p s ASP 135 Cb -0.19 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 1c2p s ASP 135 CO 0.20 -1.26 -0.02 0.42 -0.17 0.00 0.00 175.17 174.35 1c2p s THR 136 N -1.78 0.16 -0.14 1.71 -4.23 -1.11 -4.39 115.64 105.86 1c2p s THR 136 Ca 0.73 -1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 1c2p s THR 136 Cb -0.24 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 1c2p s THR 136 CO 0.28 -0.73 0.06 -0.89 -0.54 0.00 0.00 174.62 172.79 1c2p s THR 137 N -2.67 4.80 0.29 3.99 2.01 0.01 -0.81 115.64 123.26 1c2p s THR 137 Ca -0.05 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 61.99 1c2p s THR 137 Cb -0.01 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1c2p s THR 137 CO -0.05 0.54 0.12 -0.51 -0.69 0.00 0.00 174.62 174.02 1c2p s ILE 138 N -0.28 3.55 -0.08 1.82 2.07 -0.53 -2.04 121.20 125.71 1c2p s ILE 138 Ca 0.08 -1.67 0.02 0.00 -1.41 0.00 0.00 60.65 57.68 1c2p s ILE 138 Cb -0.12 -3.05 0.01 0.00 0.13 0.00 0.00 42.46 39.43 1c2p s ILE 138 CO 0.02 -0.29 -0.14 0.00 -1.91 0.00 0.00 174.94 172.62 1c2p s ALA 140 N -2.31 1.44 0.30 1.50 0.00 -1.26 -4.48 121.76 116.95 1c2p s ALA 140 Ca 0.35 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 1c2p s ALA 140 Cb -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.33 1c2p s ALA 140 CO 0.23 0.10 0.97 0.15 0.00 0.00 0.00 175.76 177.20 1c2p s LYS 141 N 0.69 4.65 -0.47 0.00 1.02 0.35 -4.75 119.74 121.23 1c2p s LYS 141 Ca -0.14 1.44 -0.16 0.00 0.02 0.00 0.00 55.97 57.14 1c2p s LYS 141 Cb -0.16 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.24 1c2p s LYS 141 CO 0.03 0.32 0.41 -0.80 -0.92 0.00 0.00 175.35 174.40 1c2p s ASN 142 N -1.39 6.15 0.06 2.83 0.02 -1.26 -4.34 114.94 117.01 1c2p s ASN 142 Ca 0.47 -1.29 0.06 0.00 -1.02 0.00 0.00 52.86 51.08 1c2p s ASN 142 Cb -0.23 -2.19 -0.03 0.00 0.02 0.00 0.00 41.25 38.83 1c2p s ASN 142 CO 0.29 -0.66 -0.17 -1.61 0.02 0.00 0.00 177.10 174.97 1c2p s GLU 143 N 1.71 1.07 -0.11 -0.60 2.02 -1.25 -4.86 118.70 116.69 1c2p s GLU 143 Ca 0.05 -0.90 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 1c2p s GLU 143 Cb -0.24 -1.16 -0.05 0.00 0.10 0.00 0.00 34.13 32.79 1c2p s GLU 143 CO 0.07 0.28 0.24 0.08 0.02 0.00 0.00 175.26 175.95 1c2p s VAL 144 N -0.95 5.34 0.25 2.63 1.01 -1.26 -0.64 120.40 126.78 1c2p s VAL 144 Ca 0.04 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1c2p s VAL 144 Cb -0.09 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1c2p s VAL 144 CO 0.02 0.54 0.27 -0.36 0.00 0.00 0.00 175.10 175.57 1c2p s PHE 145 N -0.55 1.08 -0.11 5.22 0.08 -0.37 -4.73 117.98 118.60 1c2p s PHE 145 Ca 0.17 -1.28 -0.04 0.00 0.12 0.00 0.00 56.93 55.90 1c2p s PHE 145 Cb -0.13 -0.37 -0.03 0.00 -0.57 0.00 0.00 43.02 41.92 1c2p s PHE 145 CO 0.06 -0.82 0.03 0.00 -0.10 0.00 0.00 175.22 174.38 1c2p s VAL 147 N -0.64 2.04 -1.05 0.00 -7.23 -1.26 -5.01 120.40 107.24 1c2p s VAL 147 Ca 0.11 0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.23 1c2p s VAL 147 Cb -0.12 -2.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.56 1c2p s VAL 147 CO 0.02 -0.02 0.92 1.67 -0.31 0.00 0.00 175.10 177.39 1c2p n GLN 148 N -4.71 -2.30 -4.16 4.82 -0.06 -1.26 -5.08 117.38 104.64 1c2p n GLN 148 Ca 0.04 0.87 -0.34 0.00 -2.00 0.00 0.00 57.00 55.56 1c2p n GLN 148 Cb 0.55 -5.84 -0.11 0.00 -4.06 0.00 0.00 30.24 20.79 1c2p n GLN 148 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1c2p s ARG 154 N -4.41 3.84 0.18 3.69 0.52 -1.26 -5.24 118.95 116.28 1c2p s ARG 154 Ca 0.45 -0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 55.04 1c2p s ARG 154 Cb -0.06 -3.10 -0.08 0.00 0.52 0.00 0.00 34.95 32.24 1c2p s ARG 154 CO 0.74 0.25 0.70 -1.59 0.02 0.00 0.00 175.30 175.41 1c2p s LYS 155 N 0.40 4.29 0.65 3.54 -2.85 -1.26 -5.06 119.74 119.45 1c2p s LYS 155 Ca 0.00 0.88 -0.16 0.00 -1.00 0.00 0.00 55.97 55.69 1c2p s LYS 155 Cb -0.13 -3.02 -0.00 0.00 -2.06 0.00 0.00 37.83 32.62 1c2p s LYS 155 CO 0.01 0.48 1.14 -1.25 0.10 0.00 0.00 175.35 175.83 1c2p s PRO 156 N -1.67 2.74 0.58 1.78 0.04 -1.26 -4.87 135.00 132.34 1c2p s PRO 156 Ca 0.39 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.78 1c2p s PRO 156 Cb -0.18 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1c2p s PRO 156 CO 0.22 -1.32 1.09 0.00 0.04 0.00 0.00 177.00 177.02 1c2p n ALA 157 N -2.25 0.58 -2.35 8.56 0.00 -1.26 -4.94 120.51 118.84 1c2p n ALA 157 Ca 0.11 0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 1c2p n ALA 157 Cb 0.51 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1c2p n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c2p s ARG 158 N -2.78 3.65 -0.06 0.00 0.52 -1.26 -4.69 118.95 114.32 1c2p s ARG 158 Ca 0.75 0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 56.12 1c2p s ARG 158 Cb -0.43 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 1c2p s ARG 158 CO 0.48 0.02 0.03 -0.51 0.02 0.00 0.00 175.30 175.34 1c2p s LEU 159 N -4.01 3.73 -0.05 2.53 1.02 -1.26 -0.49 118.68 120.15 1c2p s LEU 159 Ca 0.47 0.16 0.07 0.00 0.02 0.00 0.00 54.13 54.84 1c2p s LEU 159 Cb -0.10 -1.97 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 1c2p s LEU 159 CO 0.35 0.35 -0.25 -0.51 0.02 0.00 0.00 176.35 176.30 1c2p s ILE 160 N -0.99 2.00 -0.10 -0.59 1.10 -1.26 -4.83 121.20 116.53 1c2p s ILE 160 Ca 0.16 -1.05 0.01 0.00 -0.51 0.00 0.00 60.65 59.26 1c2p s ILE 160 Cb -0.12 -1.69 0.02 0.00 0.15 0.00 0.00 42.46 40.83 1c2p s ILE 160 CO 0.06 0.56 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.64 1c2p s VAL 161 N -0.28 1.27 -0.01 4.00 1.01 -1.26 -4.26 120.40 120.87 1c2p s VAL 161 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1c2p s VAL 161 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1c2p s VAL 161 CO 0.02 0.40 0.14 0.72 0.00 0.00 0.00 175.10 176.38 1c2p s PHE 162 N 1.19 0.01 0.76 5.22 -0.71 -0.87 -0.07 117.98 123.52 1c2p s PHE 162 Ca -0.04 -0.06 -0.09 0.00 -1.04 0.00 0.00 56.93 55.71 1c2p s PHE 162 Cb -0.14 -0.04 0.09 0.00 -1.21 0.00 0.00 43.02 41.72 1c2p s PHE 162 CO -0.03 -0.26 1.09 -1.25 -1.34 0.00 0.00 175.22 173.43 1c2p s PRO 163 N -1.17 1.89 0.79 1.99 0.04 -1.26 -0.81 135.00 136.47 1c2p s PRO 163 Ca -0.13 -0.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.54 1c2p s PRO 163 Cb -0.07 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1c2p s PRO 163 CO 0.01 -1.50 1.14 0.34 0.04 0.00 0.00 177.00 177.04 1c2p s ASP 164 N -4.60 4.00 0.23 6.66 2.15 -1.26 -4.72 116.67 119.13 1c2p s ASP 164 Ca 0.63 2.08 -0.08 0.00 0.43 0.00 0.00 52.55 55.62 1c2p s ASP 164 Cb -0.09 -2.56 0.38 0.00 -0.30 0.00 0.00 42.92 40.35 1c2p s ASP 164 CO 0.47 -2.38 1.68 0.25 -0.17 0.00 0.00 175.17 175.02 1c2p h LEU 165 N -1.03 -0.07 -1.00 -1.34 5.85 -1.82 -0.56 115.31 115.34 1c2p h LEU 165 Ca -0.45 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1c2p h LEU 165 Cb 1.26 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1c2p h LEU 165 CO 0.48 -0.05 0.65 1.23 -0.34 0.00 0.00 178.44 180.41 1c2p h GLY 166 N 0.22 1.50 1.09 3.75 0.00 -1.95 -1.55 103.07 106.13 1c2p h GLY 166 Ca 0.37 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1c2p h GLY 166 CO -0.49 0.36 -0.17 -2.08 0.00 0.00 0.00 176.54 174.16 1c2p h VAL 167 N 1.20 1.27 -0.84 4.60 2.07 -1.50 -2.70 116.25 120.36 1c2p h VAL 167 Ca 0.42 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1c2p h VAL 167 Cb 0.12 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1c2p h VAL 167 CO -0.16 0.46 0.54 0.03 0.02 0.00 0.00 177.57 178.46 1c2p h ARG 168 N 0.86 1.02 -0.35 1.57 3.08 -0.29 0.49 114.38 120.75 1c2p h ARG 168 Ca 0.12 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1c2p h ARG 168 Cb 0.74 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1c2p h ARG 168 CO 0.06 0.67 -0.18 0.28 -1.07 0.00 0.00 179.97 179.73 1c2p h VAL 169 N 1.05 1.26 -0.43 2.04 2.07 -1.35 -2.53 116.25 118.36 1c2p h VAL 169 Ca 0.33 -1.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1c2p h VAL 169 Cb 0.00 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1c2p h VAL 169 CO -0.11 0.41 -0.10 0.00 0.02 0.00 0.00 177.57 177.78 1c2p h GLU 171 N 0.70 0.95 -0.47 0.00 5.08 -0.64 -2.19 114.58 118.00 1c2p h GLU 171 Ca 0.12 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1c2p h GLU 171 Cb 0.57 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1c2p h GLU 171 CO 0.04 0.67 0.00 1.63 -1.00 0.00 0.00 179.01 180.35 1c2p n LYS 172 N -4.55 0.00 0.00 2.33 5.02 -0.96 -0.68 118.16 119.32 1c2p n LYS 172 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1c2p n LYS 172 Cb 0.05 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1c2p n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2p n ALA 174 N 0.57 0.00 -0.27 7.82 0.00 -0.82 -1.38 120.51 126.43 1c2p n ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1c2p n ALA 174 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1c2p n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c2p n LEU 175 N 0.00 0.84 0.04 0.00 4.77 0.14 -4.78 117.00 118.01 1c2p n LEU 175 Ca 0.00 -0.84 -0.11 0.00 -0.03 0.00 0.00 56.01 55.03 1c2p n LEU 175 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1c2p n LEU 175 CO 0.00 0.21 0.82 0.22 -1.33 0.00 0.00 177.39 177.31 1c2p h TYR 176 N 0.00 -0.19 -0.86 -1.77 3.20 -1.33 0.19 116.97 116.21 1c2p h TYR 176 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1c2p h TYR 176 Cb 0.21 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1c2p h TYR 176 CO 0.00 -0.12 0.48 0.22 -1.64 0.00 0.00 178.16 177.11 1c2p h ASP 177 N -0.12 1.07 0.28 -2.11 3.58 -1.81 -1.86 116.42 115.45 1c2p h ASP 177 Ca 0.04 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1c2p h ASP 177 Cb 0.17 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1c2p h ASP 177 CO -0.09 0.85 -0.13 0.58 -2.88 0.00 0.00 179.24 177.57 1c2p h VAL 178 N 1.20 0.77 0.00 2.25 2.07 -1.75 -1.42 116.25 119.36 1c2p h VAL 178 Ca 0.31 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1c2p h VAL 178 Cb 0.01 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1c2p h VAL 178 CO -0.05 0.08 0.00 -0.37 0.02 0.00 0.00 177.57 177.25 1c2p h VAL 179 N -0.57 0.00 0.00 2.57 -1.51 -0.87 -0.21 116.25 115.66 1c2p h VAL 179 Ca -0.04 -0.21 -0.25 0.00 -1.23 0.00 0.00 66.70 64.97 1c2p h VAL 179 Cb 0.41 0.93 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 1c2p h VAL 179 CO 0.06 0.00 -1.56 0.28 -1.23 0.00 0.00 177.57 175.12 1c2p h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.10 -3.43 113.55 113.23 1c2p h SER 180 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1c2p h SER 180 Cb 0.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1c2p h SER 180 CO 0.00 0.87 -1.86 0.41 -1.14 0.00 0.00 176.83 175.12 1c2p n THR 181 N -3.02 0.86 -0.28 -2.27 -1.04 -0.56 -4.66 114.28 103.32 1c2p n THR 181 Ca -0.13 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1c2p n THR 181 Cb 0.98 -1.11 0.13 0.00 -1.82 0.00 0.00 70.33 68.51 1c2p n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1c2p h LEU 182 N -0.06 0.71 -0.60 -4.42 6.46 -1.25 -3.18 115.31 112.97 1c2p h LEU 182 Ca -0.34 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.52 1c2p h LEU 182 Cb 1.50 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 41.25 1c2p h LEU 182 CO -0.07 0.45 0.27 -0.65 -0.62 0.00 0.00 178.44 177.82 1c2p h PRO 183 N 0.84 0.49 -0.13 5.25 0.11 -1.83 -0.91 132.00 135.83 1c2p h PRO 183 Ca 0.35 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.29 1c2p h PRO 183 Cb 0.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1c2p h PRO 183 CO -0.18 0.32 -0.53 0.37 -0.21 0.00 0.00 178.00 177.77 1c2p h GLN 184 N 0.50 0.36 -0.21 1.05 -0.00 -1.87 -3.11 115.11 111.83 1c2p h GLN 184 Ca 0.28 -0.22 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 1c2p h GLN 184 Cb 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1c2p h GLN 184 CO -0.23 0.80 0.04 0.28 0.00 0.00 0.00 178.83 179.72 1c2p h VAL 185 N 0.28 1.22 0.00 2.39 2.07 -1.42 0.23 116.25 121.02 1c2p h VAL 185 Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1c2p h VAL 185 Cb 1.03 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1c2p h VAL 185 CO 0.09 0.22 0.00 0.52 0.02 0.00 0.00 177.57 178.42 1c2p n VAL 186 N -4.74 0.00 0.00 2.57 0.31 -0.39 -4.87 118.33 111.20 1c2p n VAL 186 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1c2p n VAL 186 Cb 0.18 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1c2p n VAL 186 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c2p n GLY 188 N -0.08 -0.67 0.20 2.92 0.00 0.81 -4.97 105.19 103.41 1c2p n GLY 188 Ca 0.04 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1c2p n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1c2p h SER 189 N 0.00 0.00 0.86 1.61 4.64 -1.97 -2.57 113.55 116.13 1c2p h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c2p h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1c2p h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1c2p n SER 190 N -2.52 0.31 -4.58 4.97 7.64 -1.26 -4.70 113.62 113.48 1c2p n SER 190 Ca -0.01 0.55 -0.43 0.00 1.01 0.00 0.00 58.87 60.00 1c2p n SER 190 Cb 0.13 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.67 1c2p n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1c2p s TYR 191 N -3.09 2.71 0.26 1.43 5.04 -0.97 -0.74 117.35 121.99 1c2p s TYR 191 Ca 0.09 0.45 -0.04 0.00 -2.44 0.00 0.00 57.07 55.13 1c2p s TYR 191 Cb 0.12 -4.40 0.36 0.00 0.35 0.00 0.00 41.96 38.39 1c2p s TYR 191 CO 0.42 -1.43 1.89 0.78 -1.34 0.00 0.00 175.55 175.87 1c2p h GLY 192 N 11.51 1.47 1.72 8.97 0.00 -1.07 -3.06 103.07 122.62 1c2p h GLY 192 Ca -0.24 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1c2p h GLY 192 CO 1.15 0.38 0.00 0.69 0.00 0.00 0.00 176.54 178.76 1c2p n PHE 193 N -4.48 0.00 0.83 5.60 3.72 -1.26 -2.20 117.46 119.67 1c2p n PHE 193 Ca 0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.67 1c2p n PHE 193 Cb 0.13 -0.36 0.47 0.00 -0.94 0.00 0.00 39.48 38.79 1c2p n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c2p n GLN 194 N -1.36 0.12 -4.08 -1.08 10.64 -1.16 -3.01 117.38 117.46 1c2p n GLN 194 Ca 0.03 0.09 -0.32 0.00 -1.83 0.00 0.00 57.00 54.97 1c2p n GLN 194 Cb 0.07 -1.63 -0.07 0.00 -0.86 0.00 0.00 30.24 27.75 1c2p n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1c2p s TYR 195 N -3.05 3.26 0.68 2.61 2.02 -0.93 -4.65 117.35 117.28 1c2p s TYR 195 Ca 0.12 0.16 -0.09 0.00 -0.37 0.00 0.00 57.07 56.89 1c2p s TYR 195 Cb 0.16 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1c2p s TYR 195 CO 0.58 0.54 1.04 -1.54 -1.57 0.00 0.00 175.55 174.60 1c2p s SER 196 N -1.98 5.38 0.42 2.29 1.04 -1.26 -4.76 113.70 114.83 1c2p s SER 196 Ca 0.25 0.93 0.16 0.00 0.48 0.00 0.00 55.95 57.77 1c2p s SER 196 Cb -0.12 -1.75 1.05 0.00 0.10 0.00 0.00 66.02 65.30 1c2p s SER 196 CO 0.17 -1.31 1.90 -0.65 0.98 0.00 0.00 173.24 174.33 1c2p h PRO 197 N -0.53 0.41 -0.26 4.02 0.11 -1.98 -0.12 132.00 133.64 1c2p h PRO 197 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1c2p h PRO 197 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1c2p h PRO 197 CO 0.63 0.27 -0.09 0.78 -0.21 0.00 0.00 178.00 179.38 1c2p h GLY 198 N 0.42 0.57 2.00 -0.55 0.00 -1.92 -1.77 103.07 101.82 1c2p h GLY 198 Ca 0.40 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1c2p h GLY 198 CO -0.14 0.45 -0.25 1.46 0.00 0.00 0.00 176.54 178.06 1c2p h GLN 199 N 0.27 0.00 -0.25 4.80 4.20 -1.63 -0.52 115.11 121.98 1c2p h GLN 199 Ca 0.06 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 1c2p h GLN 199 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1c2p h GLN 199 CO 0.03 0.25 -0.45 -0.09 -0.67 0.00 0.00 178.83 177.90 1c2p h ARG 200 N 0.00 0.75 -0.63 1.46 2.43 -0.78 -1.11 114.38 116.50 1c2p h ARG 200 Ca -0.00 -0.47 -0.07 0.00 -0.81 0.00 0.00 59.98 58.63 1c2p h ARG 200 Cb 0.47 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1c2p h ARG 200 CO 0.03 1.09 0.14 0.28 -1.51 0.00 0.00 179.97 180.00 1c2p h VAL 201 N 0.48 1.26 -0.34 0.20 2.07 -0.83 -1.24 116.25 117.84 1c2p h VAL 201 Ca 0.01 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1c2p h VAL 201 Cb 1.05 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1c2p h VAL 201 CO 0.10 0.36 0.19 -0.08 0.02 0.00 0.00 177.57 178.16 1c2p h GLU 202 N 0.93 0.47 -0.50 1.57 4.81 -1.01 -0.23 114.58 120.63 1c2p h GLU 202 Ca 0.19 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1c2p h GLU 202 Cb 0.38 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1c2p h GLU 202 CO 0.01 0.38 0.20 0.35 -0.73 0.00 0.00 179.01 179.22 1c2p h PHE 203 N 0.43 0.76 -0.63 0.92 3.57 -1.01 -0.52 116.94 120.46 1c2p h PHE 203 Ca 0.12 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1c2p h PHE 203 Cb 0.04 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1c2p h PHE 203 CO -0.03 0.63 0.19 -0.07 -2.23 0.00 0.00 178.31 176.80 1c2p h LEU 204 N 0.66 0.93 0.21 0.59 3.38 -0.97 -0.48 115.31 119.64 1c2p h LEU 204 Ca 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1c2p h LEU 204 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1c2p h LEU 204 CO -0.01 0.90 -0.10 0.58 0.09 0.00 0.00 178.44 179.89 1c2p h VAL 205 N 0.92 0.87 -0.87 1.22 2.07 -0.87 -0.80 116.25 118.78 1c2p h VAL 205 Ca 0.20 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1c2p h VAL 205 Cb 0.31 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1c2p h VAL 205 CO -0.00 0.11 0.57 0.78 0.02 0.00 0.00 177.57 179.05 1c2p h ASN 206 N -0.55 1.02 -0.43 0.57 2.35 -1.07 -0.22 115.58 117.24 1c2p h ASN 206 Ca -0.03 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1c2p h ASN 206 Cb 0.41 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1c2p h ASN 206 CO 0.05 0.75 0.10 0.74 -1.65 0.00 0.00 177.43 177.41 1c2p h THR 207 N 1.19 1.24 -0.82 2.81 2.02 -1.04 -0.70 112.91 117.61 1c2p h THR 207 Ca 0.32 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1c2p h THR 207 Cb -0.11 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1c2p h THR 207 CO -0.07 0.29 0.53 -0.25 0.37 0.00 0.00 175.52 176.39 1c2p h TRP 208 N 0.57 1.00 0.00 3.16 2.91 -0.30 -1.99 115.95 121.30 1c2p h TRP 208 Ca 0.14 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.11 1c2p h TRP 208 Cb 0.33 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1c2p h TRP 208 CO 0.02 0.59 -0.36 0.87 -1.03 0.00 0.00 178.44 178.53 1c2p h LYS 209 N 1.05 0.00 0.00 2.65 1.57 -0.71 -2.98 116.57 118.15 1c2p h LYS 209 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1c2p h LYS 209 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1c2p h LYS 209 CO -0.10 0.36 0.00 0.66 -0.57 0.00 0.00 179.45 179.79 1c2p h SER 210 N 0.00 0.00 -3.11 0.86 4.64 -0.33 -3.43 113.55 112.17 1c2p h SER 210 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1c2p h SER 210 Cb 0.69 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.69 1c2p h SER 210 CO 0.05 0.00 -0.37 -0.54 -0.87 0.00 0.00 176.83 175.10 1c2p s LYS 211 N -3.43 4.03 0.21 4.77 -0.14 -1.13 -4.99 119.74 119.06 1c2p s LYS 211 Ca 0.02 0.04 -0.09 0.00 -1.36 0.00 0.00 55.97 54.58 1c2p s LYS 211 Cb 0.09 -3.35 0.24 0.00 -1.68 0.00 0.00 37.83 33.13 1c2p s LYS 211 CO 0.35 0.43 1.82 0.87 -0.76 0.00 0.00 175.35 178.06 1c2p h LYS 212 N 6.04 0.71 -2.66 1.68 1.57 -1.88 -3.30 116.57 118.73 1c2p h LYS 212 Ca -0.45 -0.04 -0.58 0.00 -1.87 0.00 0.00 60.65 57.71 1c2p h LYS 212 Cb 1.18 -0.16 -0.39 0.00 0.08 0.00 0.00 32.23 32.94 1c2p h LYS 212 CO 0.70 0.47 -0.83 -0.80 -0.57 0.00 0.00 179.45 178.42 1c2p s ASN 213 N -5.63 3.11 1.19 0.86 0.01 -1.26 -5.08 114.94 108.14 1c2p s ASN 213 Ca -0.13 -2.11 -0.19 0.00 -0.71 0.00 0.00 52.86 49.73 1c2p s ASN 213 Cb 0.16 -0.45 0.27 0.00 0.41 0.00 0.00 41.25 41.64 1c2p s ASN 213 CO 0.76 -0.32 1.05 -0.81 -1.51 0.00 0.00 177.10 176.27 1c2p n PRO 214 N 4.16 -2.70 0.00 -0.60 -0.04 -1.25 -0.00 135.00 134.57 1c2p n PRO 214 Ca 0.09 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1c2p n PRO 214 Cb 0.37 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1c2p n PRO 214 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c2p n GLY 216 N -4.05 0.82 3.51 0.55 0.00 -0.50 -4.70 105.19 100.82 1c2p n GLY 216 Ca 0.14 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 1c2p n GLY 216 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c2p s PHE 217 N -2.00 -0.57 0.02 1.61 -0.71 -0.32 -0.51 117.98 115.50 1c2p s PHE 217 Ca 0.00 0.85 0.01 0.00 -1.04 0.00 0.00 56.93 56.75 1c2p s PHE 217 Cb 0.00 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1c2p s PHE 217 CO 0.00 -0.60 0.08 -1.54 -1.34 0.00 0.00 175.22 171.82 1c2p s SER 218 N -1.52 5.65 -0.16 1.98 1.04 -1.26 -1.30 113.70 118.13 1c2p s SER 218 Ca -0.06 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.47 1c2p s SER 218 Cb -0.00 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.55 1c2p s SER 218 CO 0.03 0.24 -0.15 -0.47 0.98 0.00 0.00 173.24 173.87 1c2p s TYR 219 N -1.27 2.33 -0.31 5.02 5.04 -0.60 -4.57 117.35 123.00 1c2p s TYR 219 Ca 0.25 -1.34 -0.09 0.00 -2.44 0.00 0.00 57.07 53.46 1c2p s TYR 219 Cb -0.12 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.51 1c2p s TYR 219 CO 0.17 -0.71 0.13 0.34 -1.34 0.00 0.00 175.55 174.14 1c2p s ASP 220 N 1.44 5.41 0.15 4.32 2.15 -1.26 -3.89 116.67 124.98 1c2p s ASP 220 Ca 0.05 -0.63 -0.21 0.00 0.43 0.00 0.00 52.55 52.19 1c2p s ASP 220 Cb -0.13 -1.96 -0.08 0.00 -0.30 0.00 0.00 42.92 40.45 1c2p s ASP 220 CO -0.11 -0.21 0.68 -0.89 -0.17 0.00 0.00 175.17 174.46 1c2p s THR 221 N 1.57 4.58 -0.41 1.71 2.01 -1.26 -1.18 115.64 122.65 1c2p s THR 221 Ca 0.04 1.37 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 1c2p s THR 221 Cb -0.17 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.39 1c2p s THR 221 CO 0.05 0.44 1.37 -0.60 -0.69 0.00 0.00 174.62 175.19 1c2p s ARG 222 N -1.39 3.62 -1.17 4.92 3.52 -0.31 -3.78 118.95 124.36 1c2p s ARG 222 Ca 0.35 0.92 -0.27 0.00 -0.13 0.00 0.00 55.73 56.60 1c2p s ARG 222 Cb -0.20 -4.00 0.01 0.00 -1.56 0.00 0.00 34.95 29.21 1c2p s ARG 222 CO 0.22 -1.51 0.75 0.00 -0.81 0.00 0.00 175.30 173.95 1c2p n PHE 224 N -4.56 0.10 -0.33 0.00 -0.00 -1.25 0.33 117.46 111.77 1c2p n PHE 224 Ca -0.10 1.07 0.17 0.00 -0.00 0.00 0.00 57.45 58.59 1c2p n PHE 224 Cb 0.58 -0.87 0.41 0.00 -0.00 0.00 0.00 39.48 39.59 1c2p n PHE 224 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1c2p h ASP 225 N 0.00 0.63 1.54 -2.13 5.19 -1.92 0.83 116.42 120.55 1c2p h ASP 225 Ca 0.33 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1c2p h ASP 225 Cb 0.55 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1c2p h ASP 225 CO -0.87 0.20 0.00 0.28 -3.12 0.00 0.00 179.24 175.72 1c2p h SER 226 N 0.60 0.00 1.16 6.45 0.02 -0.44 -2.77 113.55 118.56 1c2p h SER 226 Ca 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1c2p h SER 226 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1c2p h SER 226 CO -0.33 0.00 -0.31 0.35 -1.14 0.00 0.00 176.83 175.40 1c2p n THR 227 N -2.91 0.46 -2.21 -2.27 -2.24 0.26 -4.77 114.28 100.60 1c2p n THR 227 Ca 0.03 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1c2p n THR 227 Cb 0.43 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 1c2p n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1c2p s VAL 228 N -3.13 3.90 0.59 2.28 1.01 -1.07 -4.83 120.40 119.16 1c2p s VAL 228 Ca 0.09 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1c2p s VAL 228 Cb 0.13 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.82 1c2p s VAL 228 CO 0.66 -0.17 0.82 0.42 0.00 0.00 0.00 175.10 176.83 1c2p s THR 229 N 4.10 2.45 0.22 3.92 -4.23 -1.26 -3.98 115.64 116.86 1c2p s THR 229 Ca 0.65 -0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 60.34 1c2p s THR 229 Cb -0.26 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.05 1c2p s THR 229 CO 0.23 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.03 1c2p h GLU 230 N -0.03 1.18 -0.18 3.99 4.81 -1.89 -1.83 114.58 120.64 1c2p h GLU 230 Ca -0.38 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1c2p h GLU 230 Cb 1.28 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1c2p h GLU 230 CO 0.45 0.94 -0.09 -0.97 -0.73 0.00 0.00 179.01 178.61 1c2p h ASN 231 N 1.15 -0.30 -0.50 1.04 -1.24 -1.97 0.10 115.58 113.86 1c2p h ASN 231 Ca 0.27 0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.41 1c2p h ASN 231 Cb 0.19 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 1c2p h ASN 231 CO -0.02 -0.12 0.20 0.44 -1.29 0.00 0.00 177.43 176.64 1c2p h ASP 232 N -0.07 0.24 0.03 1.15 3.32 -1.80 0.16 116.42 119.45 1c2p h ASP 232 Ca 0.10 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1c2p h ASP 232 Cb 0.22 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1c2p h ASP 232 CO -0.23 0.17 -0.23 0.40 -1.72 0.00 0.00 179.24 177.63 1c2p h ILE 233 N 0.40 1.24 -0.04 0.35 2.04 -0.99 -0.84 117.51 119.68 1c2p h ILE 233 Ca 0.24 -1.14 -0.20 0.00 1.00 0.00 0.00 64.86 64.75 1c2p h ILE 233 Cb 0.22 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1c2p h ILE 233 CO -0.22 0.36 -0.84 0.03 0.00 0.00 0.00 178.15 177.48 1c2p h ARG 234 N 0.31 0.40 -0.71 2.37 3.08 -0.05 -2.38 114.38 117.40 1c2p h ARG 234 Ca 0.05 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 1c2p h ARG 234 Cb 0.59 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1c2p h ARG 234 CO 0.04 1.03 0.20 0.28 -1.07 0.00 0.00 179.97 180.45 1c2p h VAL 235 N 0.25 1.26 -0.68 2.04 2.07 -0.33 -1.02 116.25 119.83 1c2p h VAL 235 Ca -0.05 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1c2p h VAL 235 Cb 1.45 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1c2p h VAL 235 CO 0.14 0.36 0.45 -0.33 0.02 0.00 0.00 177.57 178.22 1c2p h GLU 236 N 1.07 0.90 -0.29 1.57 5.08 -1.10 -1.06 114.58 120.75 1c2p h GLU 236 Ca 0.23 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1c2p h GLU 236 Cb 0.33 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1c2p h GLU 236 CO -0.00 0.59 -0.13 1.49 -1.00 0.00 0.00 179.01 179.96 1c2p h GLU 237 N 0.92 0.49 -0.15 2.33 4.81 -0.86 -1.86 114.58 120.26 1c2p h GLU 237 Ca 0.25 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1c2p h GLU 237 Cb -0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1c2p h GLU 237 CO -0.06 0.62 -0.20 0.66 -0.73 0.00 0.00 179.01 179.30 1c2p h SER 238 N 0.45 0.25 -0.05 1.04 4.64 0.04 -0.71 113.55 119.21 1c2p h SER 238 Ca 0.08 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1c2p h SER 238 Cb 0.50 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1c2p h SER 238 CO 0.03 0.46 -0.08 0.40 -0.87 0.00 0.00 176.83 176.78 1c2p h ILE 239 N 0.24 1.40 -0.88 0.95 2.04 -0.93 -2.82 117.51 117.51 1c2p h ILE 239 Ca 0.04 -1.32 0.12 0.00 1.00 0.00 0.00 64.86 64.71 1c2p h ILE 239 Cb 0.49 2.16 -0.08 0.00 -0.74 0.00 0.00 36.82 38.65 1c2p h ILE 239 CO 0.03 0.36 0.50 1.88 0.00 0.00 0.00 178.15 180.92 1c2p h TYR 240 N -0.34 0.89 0.00 1.37 0.05 -1.04 -0.93 116.97 116.98 1c2p h TYR 240 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1c2p h TYR 240 Cb 0.62 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1c2p h TYR 240 CO 0.11 0.30 0.00 1.96 -1.05 0.00 0.00 178.16 179.48 1c2p h GLN 241 N 0.77 0.00 0.00 4.88 1.08 -0.98 -2.41 115.11 118.45 1c2p h GLN 241 Ca 0.45 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.62 1c2p h GLN 241 Cb 0.52 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1c2p h GLN 241 CO -0.30 0.00 -0.16 0.00 -0.95 0.00 0.00 178.83 177.42 1c2p s ASP 244 N -3.05 6.42 0.14 0.00 -1.08 0.56 -4.97 116.67 114.68 1c2p s ASP 244 Ca 0.64 -0.09 0.06 0.00 -0.52 0.00 0.00 52.55 52.64 1c2p s ASP 244 Cb -0.20 -2.47 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 1c2p s ASP 244 CO 0.57 -1.24 -0.13 -0.76 0.52 0.00 0.00 175.17 174.12 1c2p s LEU 245 N 4.16 2.46 0.40 -1.34 1.43 -1.26 -1.76 118.68 122.76 1c2p s LEU 245 Ca 0.36 -0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 1c2p s LEU 245 Cb -0.10 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.50 1c2p s LEU 245 CO 0.23 -0.19 1.17 0.00 0.23 0.00 0.00 176.35 177.80 1c2p s ALA 246 N -2.52 3.16 0.36 4.21 0.00 -1.26 -4.86 121.76 120.85 1c2p s ALA 246 Ca 0.13 0.97 0.11 0.00 0.00 0.00 0.00 51.96 53.17 1c2p s ALA 246 Cb -0.03 -3.38 0.88 0.00 0.00 0.00 0.00 23.12 20.60 1c2p s ALA 246 CO 0.03 -0.53 1.84 -1.35 0.00 0.00 0.00 175.76 175.75 1c2p h PRO 247 N 2.65 0.60 -0.18 0.00 0.11 -2.00 0.08 132.00 133.27 1c2p h PRO 247 Ca -0.49 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1c2p h PRO 247 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1c2p h PRO 247 CO 0.63 0.40 -0.10 1.49 -0.21 0.00 0.00 178.00 180.20 1c2p h GLU 248 N 0.62 0.27 -0.04 1.05 4.81 -2.00 -1.92 114.58 117.38 1c2p h GLU 248 Ca 0.49 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1c2p h GLU 248 Cb 0.93 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1c2p h GLU 248 CO -0.24 0.39 -0.88 0.00 -0.73 0.00 0.00 179.01 177.54 1c2p h ALA 249 N 1.64 0.39 -0.81 2.92 0.00 -1.37 -1.90 119.26 120.14 1c2p h ALA 249 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1c2p h ALA 249 Cb 0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1c2p h ALA 249 CO 0.02 0.78 0.36 0.00 0.00 0.00 0.00 179.25 180.40 1c2p h ARG 250 N 0.29 1.19 -0.11 0.00 3.08 -0.82 -0.70 114.38 117.31 1c2p h ARG 250 Ca -0.07 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1c2p h ARG 250 Cb 1.50 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 1c2p h ARG 250 CO 0.16 0.94 -0.04 0.37 -1.07 0.00 0.00 179.97 180.33 1c2p h GLN 251 N 1.16 0.22 -0.85 0.04 5.75 -1.32 -1.70 115.11 118.41 1c2p h GLN 251 Ca 0.27 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1c2p h GLN 251 Cb 0.17 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1c2p h GLN 251 CO -0.03 0.55 0.57 0.00 -2.65 0.00 0.00 178.83 177.27 1c2p h ALA 252 N 0.67 1.39 -0.39 3.38 0.00 -1.16 -0.74 119.26 122.41 1c2p h ALA 252 Ca 0.03 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1c2p h ALA 252 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1c2p h ALA 252 CO 0.01 0.56 -0.33 0.82 0.00 0.00 0.00 179.25 180.31 1c2p h ILE 253 N 1.16 1.27 -0.29 0.00 2.04 -1.04 -0.69 117.51 119.96 1c2p h ILE 253 Ca 0.31 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 1c2p h ILE 253 Cb -0.13 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1c2p h ILE 253 CO -0.07 0.50 0.16 0.50 0.00 0.00 0.00 178.15 179.25 1c2p h LYS 254 N 0.73 0.41 -0.27 2.37 3.64 -0.85 -0.98 116.57 121.62 1c2p h LYS 254 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1c2p h LYS 254 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1c2p h LYS 254 CO 0.09 0.34 0.17 1.03 -2.27 0.00 0.00 179.45 178.81 1c2p h SER 255 N 0.36 0.32 -0.05 4.20 0.87 -1.05 -0.81 113.55 117.39 1c2p h SER 255 Ca 0.10 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1c2p h SER 255 Cb 0.05 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1c2p h SER 255 CO -0.02 0.26 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.37 1c2p h LEU 256 N 0.35 0.31 -0.12 2.23 3.38 -1.00 0.70 115.31 121.16 1c2p h LEU 256 Ca 0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1c2p h LEU 256 Cb -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1c2p h LEU 256 CO -0.02 0.45 -0.07 0.74 0.09 0.00 0.00 178.44 179.64 1c2p h THR 257 N 0.31 1.33 -0.13 0.22 2.02 -0.64 -0.10 112.91 115.92 1c2p h THR 257 Ca 0.06 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1c2p h THR 257 Cb 0.38 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1c2p h THR 257 CO 0.02 0.32 -0.01 -0.33 0.37 0.00 0.00 175.52 175.90 1c2p h GLU 258 N -0.11 0.23 0.00 6.66 4.39 -0.74 -1.91 114.58 123.10 1c2p h GLU 258 Ca 0.02 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1c2p h GLU 258 Cb 0.54 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1c2p h GLU 258 CO 0.02 0.48 -0.82 0.00 -1.16 0.00 0.00 179.01 177.53 1c2p h ARG 259 N -0.05 0.00 0.00 2.33 3.08 -0.95 -3.42 114.38 115.37 1c2p h ARG 259 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1c2p h ARG 259 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1c2p h ARG 259 CO 0.01 0.20 -0.22 -0.11 -1.07 0.00 0.00 179.97 178.77 1c2p n LEU 260 N -2.94 0.54 -0.10 3.04 7.94 -0.21 -0.67 117.00 124.61 1c2p n LEU 260 Ca -0.02 0.16 -0.08 0.00 -1.11 0.00 0.00 56.01 54.97 1c2p n LEU 260 Cb 0.67 -0.10 -0.00 0.00 0.53 0.00 0.00 43.42 44.52 1c2p n LEU 260 CO 0.40 -0.58 0.98 1.88 -1.11 0.00 0.00 177.39 178.96 1c2p h TYR 261 N 0.00 0.34 -0.42 1.96 0.05 -1.14 -2.97 116.97 114.79 1c2p h TYR 261 Ca 0.00 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1c2p h TYR 261 Cb 0.22 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1c2p h TYR 261 CO 0.00 0.19 0.02 0.82 -1.05 0.00 0.00 178.16 178.14 1c2p h ILE 262 N 0.37 1.22 0.00 -2.88 2.04 -1.59 -3.42 117.51 113.25 1c2p h ILE 262 Ca 0.13 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1c2p h ILE 262 Cb 0.02 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1c2p h ILE 262 CO -0.08 0.31 0.00 0.61 0.00 0.00 0.00 178.15 178.99 1c2p n GLY 263 N -0.79 -0.67 0.00 5.37 0.00 -1.12 -3.92 105.19 104.06 1c2p n GLY 263 Ca 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1c2p n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2p n GLY 264 N -0.48 1.78 3.77 -0.02 0.00 -0.57 -4.27 105.19 105.39 1c2p n GLY 264 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1c2p n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c2p s PRO 265 N -2.00 3.09 -0.19 1.61 0.04 -1.26 -1.53 135.00 134.75 1c2p s PRO 265 Ca 0.00 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 1c2p s PRO 265 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1c2p s PRO 265 CO 0.00 -1.06 -0.07 -0.51 0.04 0.00 0.00 177.00 175.40 1c2p s LEU 266 N -4.20 2.83 -0.10 -3.56 1.43 -0.50 -2.75 118.68 111.83 1c2p s LEU 266 Ca 0.72 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1c2p s LEU 266 Cb -0.24 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1c2p s LEU 266 CO 0.33 0.04 -0.20 -0.89 0.23 0.00 0.00 176.35 175.86 1c2p s THR 267 N 1.11 2.45 1.00 5.49 2.01 0.01 -0.29 115.64 127.42 1c2p s THR 267 Ca 0.01 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 1c2p s THR 267 Cb -0.15 -1.96 0.21 0.00 0.01 0.00 0.00 72.50 70.61 1c2p s THR 267 CO -0.01 0.55 1.26 0.54 -0.69 0.00 0.00 174.62 176.27 1c2p s ASN 268 N 0.17 2.78 0.60 3.53 2.20 -0.26 -1.45 114.94 122.51 1c2p s ASN 268 Ca -0.11 0.41 0.36 0.00 -0.94 0.00 0.00 52.86 52.58 1c2p s ASN 268 Cb -0.16 -0.55 1.89 0.00 -2.00 0.00 0.00 41.25 40.42 1c2p s ASN 268 CO 0.06 -2.96 2.20 0.77 -2.94 0.00 0.00 177.10 174.24 1c2p h SER 269 N -1.79 0.00 0.14 3.54 4.64 -1.78 -1.44 113.55 116.86 1c2p h SER 269 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1c2p h SER 269 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1c2p h SER 269 CO 0.40 0.03 -0.09 0.29 -0.87 0.00 0.00 176.83 176.59 1c2p n LYS 270 N -3.32 1.15 -0.54 4.77 5.02 -1.26 -4.93 118.16 119.05 1c2p n LYS 270 Ca -0.02 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1c2p n LYS 270 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1c2p n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c2p n GLY 271 N 1.22 0.73 3.86 0.72 0.00 -0.54 -5.06 105.19 106.11 1c2p n GLY 271 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1c2p n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c2p s GLN 272 N -0.46 3.85 -0.21 1.61 -0.21 -1.26 -4.83 119.66 118.14 1c2p s GLN 272 Ca 0.00 0.30 -0.29 0.00 0.02 0.00 0.00 55.36 55.39 1c2p s GLN 272 Cb 0.00 -2.98 -0.01 0.00 1.00 0.00 0.00 33.01 31.02 1c2p s GLN 272 CO 0.00 0.53 1.26 1.21 -2.12 0.00 0.00 175.29 176.17 1c2p s ASN 273 N -1.72 6.87 0.12 5.90 3.04 -1.26 -1.10 114.94 126.78 1c2p s ASN 273 Ca 0.34 1.52 0.23 0.00 0.04 0.00 0.00 52.86 54.99 1c2p s ASN 273 Cb -0.14 -2.54 -0.06 0.00 -1.54 0.00 0.00 41.25 36.97 1c2p s ASN 273 CO 0.18 -0.85 0.91 0.00 -3.04 0.00 0.00 177.10 174.30 1c2p n GLY 275 N 1.24 -0.08 2.88 0.00 0.00 -1.21 -0.86 105.19 107.15 1c2p n GLY 275 Ca -0.01 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1c2p n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c2p s TYR 276 N -3.90 -0.02 -0.11 1.61 5.04 0.30 -1.41 117.35 118.86 1c2p s TYR 276 Ca 0.00 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.63 1c2p s TYR 276 Cb 0.00 -0.00 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 1c2p s TYR 276 CO 0.00 -0.01 0.05 0.50 -1.34 0.00 0.00 175.55 174.75 1c2p s ARG 277 N 0.04 3.29 -0.09 4.97 3.52 -0.58 -1.64 118.95 128.46 1c2p s ARG 277 Ca -0.00 -0.31 0.21 0.00 -0.13 0.00 0.00 55.73 55.50 1c2p s ARG 277 Cb -0.01 -2.99 0.44 0.00 -1.56 0.00 0.00 34.95 30.84 1c2p s ARG 277 CO -0.00 0.66 1.18 0.54 -0.81 0.00 0.00 175.30 176.86 1c2p n ARG 278 N 2.32 0.75 -2.72 5.12 1.74 -0.24 -1.51 116.66 122.12 1c2p n ARG 278 Ca -0.19 -2.59 -0.07 0.00 -0.77 0.00 0.00 57.85 54.24 1c2p n ARG 278 Cb 0.54 -0.68 -0.02 0.00 -1.02 0.00 0.00 32.46 31.27 1c2p n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c2p s ARG 280 N -2.44 4.16 0.00 0.00 6.06 -1.05 -4.64 118.95 121.04 1c2p s ARG 280 Ca 0.13 2.51 -0.25 0.00 -2.50 0.00 0.00 55.73 55.62 1c2p s ARG 280 Cb 0.01 -3.06 -0.04 0.00 0.06 0.00 0.00 34.95 31.91 1c2p s ARG 280 CO 0.09 -0.61 0.78 0.00 -2.50 0.00 0.00 175.30 173.07 1c2p s ALA 281 N 0.29 3.32 -0.14 6.12 0.00 -1.26 -4.81 121.76 125.28 1c2p s ALA 281 Ca 0.65 0.28 0.29 0.00 0.00 0.00 0.00 51.96 53.17 1c2p s ALA 281 Cb -0.47 -3.04 0.91 0.00 0.00 0.00 0.00 23.12 20.52 1c2p s ALA 281 CO 0.43 -0.04 1.82 0.66 0.00 0.00 0.00 175.76 178.63 1c2p h SER 282 N 6.20 0.00 -1.80 0.00 4.64 -1.88 -3.36 113.55 117.34 1c2p h SER 282 Ca -0.42 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.24 1c2p h SER 282 Cb 1.20 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.93 1c2p h SER 282 CO 0.73 0.00 -0.11 0.61 -0.87 0.00 0.00 176.83 177.19 1c2p n GLY 283 N 0.51 5.84 3.32 -0.77 0.00 0.89 -4.38 105.19 110.60 1c2p n GLY 283 Ca 0.02 -2.68 -0.17 0.00 0.00 0.00 0.00 46.02 43.19 1c2p n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c2p s VAL 284 N -5.20 1.51 0.34 1.61 -7.23 -1.20 -4.37 120.40 105.87 1c2p s VAL 284 Ca 0.49 -2.15 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1c2p s VAL 284 Cb 0.38 -2.03 0.31 0.00 0.56 0.00 0.00 36.38 35.60 1c2p s VAL 284 CO -0.24 -0.61 1.88 0.25 -0.31 0.00 0.00 175.10 176.07 1c2p h LEU 285 N 2.60 0.73 -0.17 1.32 5.85 -1.80 -2.35 115.31 121.49 1c2p h LEU 285 Ca -0.38 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1c2p h LEU 285 Cb 1.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1c2p h LEU 285 CO 0.63 0.40 -0.00 0.35 -0.34 0.00 0.00 178.44 179.48 1c2p n THR 286 N -4.55 0.00 -0.15 1.05 -2.24 -1.26 -4.24 114.28 102.89 1c2p n THR 286 Ca 0.16 -0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1c2p n THR 286 Cb 0.39 -0.33 0.06 0.00 -2.10 0.00 0.00 70.33 68.35 1c2p n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1c2p h THR 287 N 0.41 0.82 0.16 4.28 2.02 -1.70 0.21 112.91 119.11 1c2p h THR 287 Ca 0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1c2p h THR 287 Cb 0.09 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1c2p h THR 287 CO 0.00 0.06 -0.08 -1.28 0.37 0.00 0.00 175.52 174.59 1c2p h SER 288 N 0.33 -0.18 -0.63 4.18 0.87 -1.74 -1.72 113.55 114.66 1c2p h SER 288 Ca 0.23 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1c2p h SER 288 Cb 0.25 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1c2p h SER 288 CO -0.24 0.27 0.23 0.00 -0.53 0.00 0.00 176.83 176.56 1c2p h GLY 290 N 0.89 0.45 1.05 0.00 0.00 -0.65 0.49 103.07 105.31 1c2p h GLY 290 Ca 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1c2p h GLY 290 CO -0.01 0.25 0.32 3.43 0.00 0.00 0.00 176.54 180.52 1c2p h ASN 291 N 0.27 1.11 0.19 0.19 2.35 -1.18 -1.41 115.58 117.09 1c2p h ASN 291 Ca 0.09 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1c2p h ASN 291 Cb 0.25 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1c2p h ASN 291 CO -0.00 0.98 -0.09 0.74 -1.65 0.00 0.00 177.43 177.41 1c2p h THR 292 N 1.17 0.89 -0.42 2.81 2.02 -0.88 0.53 112.91 119.03 1c2p h THR 292 Ca 0.27 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 67.14 1c2p h THR 292 Cb 0.22 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1c2p h THR 292 CO -0.02 0.09 0.11 -0.07 0.37 0.00 0.00 175.52 176.00 1c2p h LEU 293 N -0.43 0.07 -0.63 2.58 3.38 -0.80 -0.22 115.31 119.26 1c2p h LEU 293 Ca -0.03 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1c2p h LEU 293 Cb 0.33 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1c2p h LEU 293 CO 0.04 0.08 -0.22 0.74 0.09 0.00 0.00 178.44 179.17 1c2p h THR 294 N 0.26 1.27 -0.39 0.22 2.02 -1.21 0.10 112.91 115.18 1c2p h THR 294 Ca 0.20 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 1c2p h THR 294 Cb 0.22 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1c2p h THR 294 CO -0.24 0.46 -0.02 0.00 0.37 0.00 0.00 175.52 176.09 1c2p h TYR 296 N 0.51 0.90 0.76 0.00 5.03 -0.86 -0.15 116.97 123.17 1c2p h TYR 296 Ca 0.11 -0.12 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 1c2p h TYR 296 Cb 0.50 -0.25 0.01 0.00 1.55 0.00 0.00 36.73 38.54 1c2p h TYR 296 CO 0.04 0.81 -0.37 1.25 -1.32 0.00 0.00 178.16 178.57 1c2p h LEU 297 N 0.73 -0.87 -1.36 2.82 5.85 -0.93 0.11 115.31 121.66 1c2p h LEU 297 Ca 0.16 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1c2p h LEU 297 Cb 0.38 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1c2p h LEU 297 CO 0.01 -0.60 0.37 0.11 -0.34 0.00 0.00 178.44 177.98 1c2p h LYS 298 N -1.05 0.80 -0.05 1.25 1.57 -1.37 -2.21 116.57 115.51 1c2p h LYS 298 Ca -0.10 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1c2p h LYS 298 Cb 0.79 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1c2p h LYS 298 CO 0.17 0.55 -0.27 0.00 -0.57 0.00 0.00 179.45 179.34 1c2p h ALA 299 N 1.59 0.10 -0.59 3.86 0.00 -0.86 -1.86 119.26 121.49 1c2p h ALA 299 Ca 0.22 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1c2p h ALA 299 Cb -0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1c2p h ALA 299 CO -0.04 0.12 0.25 0.77 0.00 0.00 0.00 179.25 180.35 1c2p h SER 300 N -0.27 0.30 -0.59 0.00 0.02 -0.66 0.39 113.55 112.75 1c2p h SER 300 Ca -0.02 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1c2p h SER 300 Cb 0.93 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1c2p h SER 300 CO 0.05 0.19 0.21 0.00 -1.14 0.00 0.00 176.83 176.15 1c2p h ALA 301 N 1.37 0.77 -0.43 3.77 0.00 -1.45 -2.82 119.26 120.47 1c2p h ALA 301 Ca 0.29 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1c2p h ALA 301 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1c2p h ALA 301 CO -0.25 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.34 1c2p h ALA 302 N 1.07 1.08 -0.66 0.00 0.00 -0.43 -1.32 119.26 119.01 1c2p h ALA 302 Ca 0.19 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1c2p h ALA 302 Cb 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1c2p h ALA 302 CO -0.01 0.57 0.38 0.00 0.00 0.00 0.00 179.25 180.19 1c2p h ARG 304 N 0.71 0.10 -0.60 0.00 3.08 -1.20 -0.59 114.38 115.88 1c2p h ARG 304 Ca 0.29 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.40 1c2p h ARG 304 Cb 0.15 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1c2p h ARG 304 CO -0.16 0.18 0.40 0.00 -1.07 0.00 0.00 179.97 179.31 1c2p h ALA 305 N 0.91 1.89 -0.00 0.04 0.00 -0.70 0.73 119.26 122.12 1c2p h ALA 305 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c2p h ALA 305 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1c2p h ALA 305 CO -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 179.01 1c2p n ALA 306 N -2.49 2.98 -3.48 0.00 0.00 0.18 -4.94 120.51 112.75 1c2p n ALA 306 Ca 0.09 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 1c2p n ALA 306 Cb 0.28 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.55 1c2p n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c2p n LYS 307 N -1.24 -7.15 -2.52 0.00 5.02 0.25 -4.77 118.16 107.76 1c2p n LYS 307 Ca 0.09 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.79 1c2p n LYS 307 Cb 0.32 -5.78 -0.04 0.00 -0.02 0.00 0.00 35.03 29.51 1c2p n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1c2p s LEU 308 N -6.71 4.52 -0.10 -0.35 1.02 -0.77 -5.02 118.68 111.27 1c2p s LEU 308 Ca 0.31 2.13 -0.23 0.00 0.02 0.00 0.00 54.13 56.36 1c2p s LEU 308 Cb -0.14 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.43 1c2p s LEU 308 CO 0.71 -0.18 0.69 -1.10 0.02 0.00 0.00 176.35 176.49 1c2p s GLN 309 N -0.71 4.38 -0.93 1.70 -1.52 -1.26 -4.54 119.66 116.78 1c2p s GLN 309 Ca 0.48 0.82 -0.09 0.00 -1.95 0.00 0.00 55.36 54.61 1c2p s GLN 309 Cb -0.30 -3.48 0.01 0.00 -0.22 0.00 0.00 33.01 29.02 1c2p s GLN 309 CO 0.36 -0.01 0.64 -3.47 -0.25 0.00 0.00 175.29 172.56 1c2p n ASP 310 N 4.11 -5.00 -4.79 5.90 2.03 -1.26 -0.26 116.55 117.28 1c2p n ASP 310 Ca -0.01 -0.97 -0.37 0.00 0.52 0.00 0.00 54.79 53.96 1c2p n ASP 310 Cb 0.51 -2.12 -0.06 0.00 -0.72 0.00 0.00 41.12 38.72 1c2p n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c2p s THR 312 N -1.53 0.52 -0.30 0.00 2.01 0.16 -5.00 115.64 111.51 1c2p s THR 312 Ca 0.47 -1.98 -0.15 0.00 0.31 0.00 0.00 61.69 60.33 1c2p s THR 312 Cb -0.19 -2.35 0.18 0.00 0.01 0.00 0.00 72.50 70.14 1c2p s THR 312 CO 0.24 -0.24 1.09 -0.22 -0.69 0.00 0.00 174.62 174.80 1c2p s LEU 314 N -3.22 -0.39 -0.08 4.42 2.96 0.01 -0.73 118.68 121.64 1c2p s LEU 314 Ca 0.31 0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.67 1c2p s LEU 314 Cb 0.07 1.39 -0.00 0.00 0.50 0.00 0.00 46.19 48.15 1c2p s LEU 314 CO 0.08 -0.07 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.12 1c2p s VAL 315 N 2.56 1.93 -0.36 1.68 1.01 0.08 -1.87 120.40 125.43 1c2p s VAL 315 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1c2p s VAL 315 Cb -0.06 -1.66 0.12 0.00 0.00 0.00 0.00 36.38 34.78 1c2p s VAL 315 CO -0.14 0.53 0.17 0.20 0.00 0.00 0.00 175.10 175.86 1c2p s ASN 316 N 0.19 3.66 1.94 3.32 -0.87 -0.61 -0.49 114.94 122.08 1c2p s ASN 316 Ca -0.13 -2.05 0.00 0.00 -1.57 0.00 0.00 52.86 49.11 1c2p s ASN 316 Cb -0.16 -0.79 0.00 0.00 -0.02 0.00 0.00 41.25 40.28 1c2p s ASN 316 CO 0.06 -0.35 0.00 0.61 -2.57 0.00 0.00 177.10 174.86 1c2p n GLY 317 N 4.29 4.01 0.36 0.66 0.00 -1.26 -1.16 105.19 112.08 1c2p n GLY 317 Ca 0.04 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1c2p n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c2p n ASP 318 N 7.71 1.12 -4.72 1.61 5.75 -1.26 -3.70 116.55 123.06 1c2p n ASP 318 Ca 0.00 -1.39 -0.37 0.00 -0.01 0.00 0.00 54.79 53.01 1c2p n ASP 318 Cb 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 1c2p n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1c2p s ASP 319 N -1.96 6.60 0.01 -1.12 -1.08 -0.31 -4.64 116.67 114.18 1c2p s ASP 319 Ca 0.40 0.71 0.04 0.00 -0.52 0.00 0.00 52.55 53.18 1c2p s ASP 319 Cb 0.21 -2.26 -0.01 0.00 -1.46 0.00 0.00 42.92 39.40 1c2p s ASP 319 CO 0.33 0.02 -0.12 -0.22 0.52 0.00 0.00 175.17 175.71 1c2p s LEU 320 N 0.63 2.08 -0.01 -1.34 2.96 -1.25 -1.57 118.68 120.18 1c2p s LEU 320 Ca 0.23 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1c2p s LEU 320 Cb -0.14 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.00 1c2p s LEU 320 CO 0.08 0.08 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.51 1c2p s VAL 321 N -0.51 0.07 -0.07 1.68 1.01 -0.78 -1.56 120.40 120.24 1c2p s VAL 321 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1c2p s VAL 321 Cb -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.23 1c2p s VAL 321 CO 0.00 0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.35 1c2p s VAL 322 N 0.34 1.13 -0.11 2.92 1.01 -0.42 -0.81 120.40 124.46 1c2p s VAL 322 Ca -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1c2p s VAL 322 Cb -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1c2p s VAL 322 CO -0.01 0.36 -0.23 -0.63 0.00 0.00 0.00 175.10 174.58 1c2p s ILE 323 N 0.73 2.04 0.31 2.22 1.01 0.09 -1.17 121.20 126.42 1c2p s ILE 323 Ca -0.13 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.57 1c2p s ILE 323 Cb -0.16 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1c2p s ILE 323 CO 0.03 0.55 0.30 0.00 0.00 0.00 0.00 174.94 175.82 1c2p s GLU 325 N -3.15 3.84 0.56 0.00 2.56 0.64 -4.37 118.70 118.78 1c2p s GLU 325 Ca 0.35 0.55 -0.20 0.00 0.00 0.00 0.00 54.97 55.67 1c2p s GLU 325 Cb 0.01 -3.80 -0.04 0.00 2.00 0.00 0.00 34.13 32.30 1c2p s GLU 325 CO 0.25 -0.91 1.26 0.45 -0.56 0.00 0.00 175.26 175.74 1c2p s SER 326 N 1.85 5.33 -0.11 -1.70 0.15 0.99 -4.30 113.70 115.91 1c2p s SER 326 Ca 0.37 2.52 0.14 0.00 0.70 0.00 0.00 55.95 59.68 1c2p s SER 326 Cb -0.12 -2.61 0.27 0.00 -1.71 0.00 0.00 66.02 61.85 1c2p s SER 326 CO 0.18 -1.51 1.14 0.00 1.20 0.00 0.00 173.24 174.25 1c2p n ALA 327 N -1.25 2.52 0.00 5.45 0.00 -1.26 -4.86 120.51 121.10 1c2p n ALA 327 Ca 0.12 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.13 1c2p n ALA 327 Cb 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1c2p n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2p n GLY 328 N -0.92 2.60 0.24 0.00 0.00 -1.26 -4.55 105.19 101.30 1c2p n GLY 328 Ca 0.13 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1c2p n GLY 328 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c2p h VAL 329 N 0.00 0.54 -0.65 1.61 3.04 -1.98 0.43 116.25 119.25 1c2p h VAL 329 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1c2p h VAL 329 Cb 0.00 0.54 -0.03 0.00 -2.01 0.00 0.00 31.29 29.79 1c2p h VAL 329 CO 0.00 0.00 0.40 1.56 -1.01 0.00 0.00 177.57 178.52 1c2p h GLN 330 N -0.39 0.87 -0.05 4.17 1.08 -2.00 -0.54 115.11 118.24 1c2p h GLN 330 Ca 0.02 -0.07 -0.25 0.00 -1.45 0.00 0.00 58.65 56.91 1c2p h GLN 330 Cb 0.41 -0.19 0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1c2p h GLN 330 CO -0.10 0.60 -0.93 1.49 -0.95 0.00 0.00 178.83 178.93 1c2p h GLU 331 N 0.89 0.72 -0.75 1.46 4.57 -1.73 -2.78 114.58 116.96 1c2p h GLU 331 Ca 0.23 -0.71 0.07 0.00 -1.18 0.00 0.00 59.36 57.78 1c2p h GLU 331 Cb -0.06 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 1c2p h GLU 331 CO -0.05 1.29 0.43 -0.44 -1.18 0.00 0.00 179.01 179.06 1c2p h ASP 332 N 0.41 0.63 -0.06 1.04 3.32 0.53 0.12 116.42 122.41 1c2p h ASP 332 Ca -0.10 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1c2p h ASP 332 Cb 1.58 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 1c2p h ASP 332 CO 0.19 0.39 -0.19 0.00 -1.72 0.00 0.00 179.24 177.90 1c2p h ALA 333 N 1.40 1.20 -0.01 3.45 0.00 -1.14 -2.00 119.26 122.16 1c2p h ALA 333 Ca 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c2p h ALA 333 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1c2p h ALA 333 CO -0.21 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 1c2p h ALA 334 N 1.39 0.02 -1.00 0.00 0.00 -0.77 -2.79 119.26 116.12 1c2p h ALA 334 Ca 0.07 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1c2p h ALA 334 Cb 0.57 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1c2p h ALA 334 CO 0.04 -0.29 0.64 0.77 0.00 0.00 0.00 179.25 180.41 1c2p h SER 335 N -0.35 1.01 -0.79 0.00 0.02 -0.68 -1.88 113.55 110.88 1c2p h SER 335 Ca 0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1c2p h SER 335 Cb 0.39 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1c2p h SER 335 CO 0.00 0.62 0.30 0.25 -1.14 0.00 0.00 176.83 176.86 1c2p h LEU 336 N 1.13 1.10 -0.82 5.07 6.46 -1.34 -0.16 115.31 126.75 1c2p h LEU 336 Ca 0.44 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1c2p h LEU 336 Cb 0.24 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1c2p h LEU 336 CO -0.19 0.98 0.36 -0.09 -0.62 0.00 0.00 178.44 178.88 1c2p h ARG 337 N 1.15 1.20 -0.40 1.25 2.43 -1.08 -0.50 114.38 118.43 1c2p h ARG 337 Ca 0.26 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1c2p h ARG 337 Cb 0.24 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1c2p h ARG 337 CO -0.02 0.95 -0.26 0.00 -1.51 0.00 0.00 179.97 179.13 1c2p h ALA 338 N 1.19 0.79 -0.34 2.80 0.00 -0.95 -1.57 119.26 121.18 1c2p h ALA 338 Ca 0.28 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1c2p h ALA 338 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1c2p h ALA 338 CO -0.03 0.65 0.22 0.35 0.00 0.00 0.00 179.25 180.44 1c2p h PHE 339 N 0.72 0.43 -0.70 0.00 3.57 -0.42 -1.23 116.94 119.31 1c2p h PHE 339 Ca 0.09 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1c2p h PHE 339 Cb 0.79 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1c2p h PHE 339 CO 0.04 0.28 0.26 1.15 -2.23 0.00 0.00 178.31 177.82 1c2p h THR 340 N 0.45 1.25 -0.65 4.41 2.02 -0.92 -2.59 112.91 116.88 1c2p h THR 340 Ca 0.12 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1c2p h THR 340 Cb -0.04 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1c2p h THR 340 CO -0.03 0.32 0.31 -0.33 0.37 0.00 0.00 175.52 176.16 1c2p h GLU 341 N 1.01 0.93 -1.02 6.66 5.08 -0.96 -0.30 114.58 125.98 1c2p h GLU 341 Ca 0.23 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1c2p h GLU 341 Cb 0.24 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1c2p h GLU 341 CO -0.02 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1c2p n ALA 342 N -2.44 1.80 0.00 3.43 0.00 -0.49 -1.67 120.51 121.14 1c2p n ALA 342 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1c2p n ALA 342 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1c2p n ALA 342 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1c2p n THR 344 N 0.54 0.00 0.09 0.00 -1.04 -0.12 -1.49 114.28 112.26 1c2p n THR 344 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1c2p n THR 344 Cb 0.17 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 69.15 1c2p n THR 344 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1c2p h ARG 345 N 0.00 0.34 -0.04 -2.82 3.08 -1.58 0.08 114.38 113.44 1c2p h ARG 345 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1c2p h ARG 345 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1c2p h ARG 345 CO 0.00 0.27 0.00 0.66 -1.07 0.00 0.00 179.97 179.83 1c2p n TYR 346 N -4.45 0.06 -2.50 3.04 4.01 -0.55 -1.54 117.16 115.23 1c2p n TYR 346 Ca 0.01 -0.03 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 1c2p n TYR 346 Cb 0.11 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.16 1c2p n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1c2p n SER 347 N -0.49 -2.40 -2.98 7.72 2.88 0.02 -4.92 113.62 113.44 1c2p n SER 347 Ca 0.12 -0.14 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 1c2p n SER 347 Cb 0.11 -1.60 0.02 0.00 -0.75 0.00 0.00 64.21 61.98 1c2p n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c2p n ALA 348 N -2.26 1.38 -1.34 -1.46 0.00 -1.25 -4.66 120.51 110.93 1c2p n ALA 348 Ca -0.04 -2.74 -0.34 0.00 0.00 0.00 0.00 53.44 50.32 1c2p n ALA 348 Cb 0.53 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 19.08 1c2p n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1c2p s PRO 349 N -1.65 2.12 0.42 0.00 0.04 -1.26 -4.10 135.00 130.57 1c2p s PRO 349 Ca 0.33 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1c2p s PRO 349 Cb 0.35 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.97 1c2p s PRO 349 CO -0.06 -1.84 0.87 -1.25 0.04 0.00 0.00 177.00 174.76 1c2p s PRO 350 N -3.96 3.99 -0.17 0.56 0.04 -1.26 -1.16 135.00 133.03 1c2p s PRO 350 Ca 0.73 0.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 1c2p s PRO 350 Cb -0.28 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1c2p s PRO 350 CO 0.46 -0.06 -0.08 0.41 0.04 0.00 0.00 177.00 177.77 1c2p n GLY 351 N -1.00 -0.87 3.56 0.56 0.00 -0.33 -4.43 105.19 102.68 1c2p n GLY 351 Ca 0.05 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1c2p n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c2p s ASP 352 N -6.17 4.73 0.17 1.61 1.01 -1.26 -5.00 116.67 111.76 1c2p s ASP 352 Ca -0.21 -0.05 -0.32 0.00 0.71 0.00 0.00 52.55 52.68 1c2p s ASP 352 Cb 0.04 -1.42 -0.11 0.00 1.01 0.00 0.00 42.92 42.44 1c2p s ASP 352 CO 0.36 0.29 1.66 -2.84 0.21 0.00 0.00 175.17 174.85 1c2p s PRO 353 N -0.39 4.17 0.65 8.23 0.02 -1.26 -4.58 135.00 141.84 1c2p s PRO 353 Ca 0.06 2.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.39 1c2p s PRO 353 Cb -0.12 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.19 1c2p s PRO 353 CO 0.02 -0.69 1.16 -1.25 -0.33 0.00 0.00 177.00 175.90 1c2p s PRO 354 N 1.43 2.74 -0.01 5.54 0.04 -1.26 -5.05 135.00 138.43 1c2p s PRO 354 Ca 0.73 1.60 0.01 0.00 0.04 0.00 0.00 61.00 63.38 1c2p s PRO 354 Cb -0.46 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1c2p s PRO 354 CO 0.32 -1.33 -0.02 1.14 0.04 0.00 0.00 177.00 177.14 1c2p s GLN 355 N -3.79 0.23 0.32 4.56 -2.07 -1.26 -5.02 119.66 112.63 1c2p s GLN 355 Ca 0.72 -0.07 -0.29 0.00 -1.82 0.00 0.00 55.36 53.89 1c2p s GLN 355 Cb -0.25 -0.25 -0.10 0.00 -1.09 0.00 0.00 33.01 31.32 1c2p s GLN 355 CO 0.39 0.03 1.21 -1.25 -1.32 0.00 0.00 175.29 174.35 1c2p s PRO 356 N 0.09 4.45 -0.01 9.60 0.04 -1.26 -4.57 135.00 143.34 1c2p s PRO 356 Ca -0.01 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1c2p s PRO 356 Cb -0.03 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 1c2p s PRO 356 CO -0.00 -0.03 -0.17 -1.21 0.04 0.00 0.00 177.00 175.62 1c2p s GLU 357 N -1.69 1.35 -0.01 4.56 0.41 0.33 -4.98 118.70 118.67 1c2p s GLU 357 Ca 0.48 -0.62 0.09 0.00 -0.41 0.00 0.00 54.97 54.50 1c2p s GLU 357 Cb -0.36 -1.31 0.25 0.00 -1.78 0.00 0.00 34.13 30.93 1c2p s GLU 357 CO 0.47 0.36 1.21 0.66 -0.49 0.00 0.00 175.26 177.47 1c2p n TYR 358 N 2.61 0.39 -3.90 1.61 4.01 -1.26 -1.42 117.16 119.19 1c2p n TYR 358 Ca -0.15 -0.53 -0.29 0.00 -0.16 0.00 0.00 57.90 56.77 1c2p n TYR 358 Cb 0.54 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 39.36 1c2p n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1c2p s ASP 359 N -1.08 3.40 0.27 7.72 -1.08 -1.26 -5.03 116.67 119.61 1c2p s ASP 359 Ca 0.19 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.27 1c2p s ASP 359 Cb 0.11 -1.03 0.58 0.00 -1.46 0.00 0.00 42.92 41.12 1c2p s ASP 359 CO 0.12 -0.22 1.75 0.25 0.52 0.00 0.00 175.17 177.59 1c2p h LEU 360 N 8.04 0.52 -2.00 -1.34 5.85 -1.98 0.44 115.31 124.84 1c2p h LEU 360 Ca -0.20 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1c2p h LEU 360 Cb 1.09 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1c2p h LEU 360 CO 0.40 0.19 0.00 -0.33 -0.34 0.00 0.00 178.44 178.36 1c2p h GLU 361 N 0.60 0.00 -0.05 1.25 5.08 -1.96 -2.25 114.58 117.24 1c2p h GLU 361 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1c2p h GLU 361 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1c2p h GLU 361 CO -0.39 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.90 1c2p n LEU 362 N -2.78 1.26 -4.62 1.33 4.77 0.15 -4.44 117.00 112.66 1c2p n LEU 362 Ca -0.01 -0.46 -0.37 0.00 -0.03 0.00 0.00 56.01 55.14 1c2p n LEU 362 Cb 0.13 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1c2p n LEU 362 CO 0.19 0.23 -0.17 -0.63 -1.33 0.00 0.00 177.39 175.68 1c2p s ILE 363 N -1.94 5.33 -0.25 -0.08 1.01 -0.85 -5.04 121.20 119.37 1c2p s ILE 363 Ca 0.37 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 1c2p s ILE 363 Cb 0.20 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1c2p s ILE 363 CO 0.31 0.29 0.14 -0.89 0.00 0.00 0.00 174.94 174.79 1c2p s THR 364 N 1.43 4.97 -0.02 2.92 2.01 -1.26 -4.36 115.64 121.34 1c2p s THR 364 Ca 0.07 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1c2p s THR 364 Cb -0.15 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1c2p s THR 364 CO 0.08 0.31 0.04 -0.94 -0.69 0.00 0.00 174.62 173.42 1c2p s SER 365 N 1.46 0.00 -1.36 3.53 1.04 0.30 -4.78 113.70 113.90 1c2p s SER 365 Ca 0.06 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.50 1c2p s SER 365 Cb -0.15 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1c2p s SER 365 CO 0.07 -0.06 0.78 0.00 0.98 0.00 0.00 173.24 175.00 1c2p n SER 367 N -2.36 -5.72 -4.53 0.00 7.64 -1.26 -4.94 113.62 102.45 1c2p n SER 367 Ca -0.06 0.08 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 1c2p n SER 367 Cb 0.59 -3.49 -0.10 0.00 -1.01 0.00 0.00 64.21 60.19 1c2p n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1c2p s SER 368 N -2.13 3.21 0.09 6.43 0.01 -0.55 -4.39 113.70 116.38 1c2p s SER 368 Ca 0.00 -1.42 -0.14 0.00 1.31 0.00 0.00 55.95 55.70 1c2p s SER 368 Cb 0.00 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1c2p s SER 368 CO 0.00 -0.58 0.34 0.54 0.41 0.00 0.00 173.24 173.95 1c2p s ASN 369 N -3.63 -0.14 0.19 2.44 4.22 -0.41 -0.54 114.94 117.07 1c2p s ASN 369 Ca 0.32 -0.34 -0.22 0.00 -2.14 0.00 0.00 52.86 50.48 1c2p s ASN 369 Cb 0.08 0.42 -0.08 0.00 1.28 0.00 0.00 41.25 42.95 1c2p s ASN 369 CO 0.15 -0.77 0.73 -0.69 -2.04 0.00 0.00 177.10 174.49 1c2p s VAL 370 N -3.48 4.50 0.26 3.54 1.01 -1.26 -1.82 120.40 123.16 1c2p s VAL 370 Ca 0.01 1.45 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 1c2p s VAL 370 Cb 0.02 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1c2p s VAL 370 CO -0.09 0.36 0.26 -0.55 0.00 0.00 0.00 175.10 175.08 1c2p s SER 371 N -1.40 0.68 0.01 3.32 0.15 -0.38 -4.38 113.70 111.70 1c2p s SER 371 Ca 0.39 -1.46 0.04 0.00 0.70 0.00 0.00 55.95 55.61 1c2p s SER 371 Cb -0.19 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 1c2p s SER 371 CO 0.23 -1.00 -0.12 0.54 1.20 0.00 0.00 173.24 174.09 1c2p s VAL 372 N -3.78 0.91 0.00 4.45 0.11 -1.26 -0.88 120.40 119.95 1c2p s VAL 372 Ca 0.37 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1c2p s VAL 372 Cb 0.04 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1c2p s VAL 372 CO 0.17 0.12 0.00 0.00 -3.33 0.00 0.00 175.10 172.07 1c2p n ALA 373 N 2.43 0.00 -3.33 1.54 0.00 -0.14 -3.00 120.51 118.01 1c2p n ALA 373 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1c2p n ALA 373 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 1c2p n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1c2p s HIS 374 N -1.10 0.13 0.62 0.00 3.76 0.08 -1.26 115.29 117.52 1c2p s HIS 374 Ca 0.00 0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 1c2p s HIS 374 Cb 0.00 -0.20 0.14 0.00 1.11 0.00 0.00 32.58 33.63 1c2p s HIS 374 CO 0.00 -0.06 0.82 -0.40 -0.85 0.00 0.00 174.74 174.25 1c2p n ASP 375 N 3.65 -0.05 -0.27 1.40 5.75 -0.84 -0.88 116.55 125.31 1c2p n ASP 375 Ca -0.20 -1.28 0.08 0.00 -0.01 0.00 0.00 54.79 53.38 1c2p n ASP 375 Cb 0.54 -0.63 0.22 0.00 -1.03 0.00 0.00 41.12 40.22 1c2p n ASP 375 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c2p h ALA 376 N -1.91 1.15 0.00 2.12 0.00 -1.92 0.49 119.26 119.20 1c2p h ALA 376 Ca -0.27 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1c2p h ALA 376 Cb 0.74 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1c2p h ALA 376 CO 0.19 -0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.60 1c2p n SER 377 N -5.04 0.00 0.00 0.00 7.64 -1.26 -4.86 113.62 110.10 1c2p n SER 377 Ca 0.17 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1c2p n SER 377 Cb 0.49 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1c2p n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2p n GLY 378 N 0.48 1.06 3.77 0.23 0.00 0.16 -5.03 105.19 105.85 1c2p n GLY 378 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1c2p n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c2p s LYS 379 N -0.50 3.94 0.17 1.61 2.20 -1.26 -4.69 119.74 121.20 1c2p s LYS 379 Ca 0.00 2.16 -0.30 0.00 -0.36 0.00 0.00 55.97 57.47 1c2p s LYS 379 Cb 0.00 -2.74 -0.08 0.00 -1.51 0.00 0.00 37.83 33.50 1c2p s LYS 379 CO 0.00 -0.52 1.28 1.03 -0.36 0.00 0.00 175.35 176.78 1c2p s ARG 380 N -2.27 4.41 -0.04 4.03 0.52 -1.26 -1.98 118.95 122.35 1c2p s ARG 380 Ca 0.57 1.98 0.01 0.00 -0.52 0.00 0.00 55.73 57.77 1c2p s ARG 380 Cb -0.38 -3.23 0.02 0.00 0.52 0.00 0.00 34.95 31.88 1c2p s ARG 380 CO 0.49 -0.24 -0.04 0.54 0.02 0.00 0.00 175.30 176.07 1c2p s VAL 381 N 0.34 0.48 0.13 3.52 0.11 -0.39 -4.92 120.40 119.67 1c2p s VAL 381 Ca 0.57 -0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.40 1c2p s VAL 381 Cb -0.35 -0.53 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 1c2p s VAL 381 CO 0.35 0.22 0.53 -0.31 -3.33 0.00 0.00 175.10 172.56 1c2p s TYR 382 N 1.00 3.62 0.18 1.54 2.02 -1.26 -0.97 117.35 123.48 1c2p s TYR 382 Ca -0.10 1.05 -0.14 0.00 -0.37 0.00 0.00 57.07 57.51 1c2p s TYR 382 Cb -0.14 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.07 1c2p s TYR 382 CO -0.00 0.45 0.42 1.52 -1.57 0.00 0.00 175.55 176.37 1c2p s TYR 383 N -1.43 0.13 -0.15 2.71 1.13 -0.06 -4.97 117.35 114.72 1c2p s TYR 383 Ca 0.36 -0.48 -0.15 0.00 -1.41 0.00 0.00 57.07 55.39 1c2p s TYR 383 Cb -0.15 0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.85 1c2p s TYR 383 CO 0.19 -0.84 0.34 -1.17 -2.51 0.00 0.00 175.55 171.56 1c2p s LEU 384 N -2.92 4.26 0.00 -3.49 2.96 -1.26 -1.25 118.68 116.97 1c2p s LEU 384 Ca 0.13 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.69 1c2p s LEU 384 Cb 0.01 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1c2p s LEU 384 CO -0.01 0.08 0.19 1.07 -1.32 0.00 0.00 176.35 176.36 1c2p n THR 385 N 3.56 0.00 -3.58 3.68 5.66 -0.76 -4.72 114.28 118.13 1c2p n THR 385 Ca -0.11 -1.86 -0.09 0.00 -3.05 0.00 0.00 64.05 58.94 1c2p n THR 385 Cb 0.52 0.86 -0.02 0.00 -1.55 0.00 0.00 70.33 70.14 1c2p n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1c2p s ARG 386 N -3.09 1.21 0.13 1.09 1.70 -1.26 -1.29 118.95 117.45 1c2p s ARG 386 Ca 0.27 -0.54 -0.31 0.00 -0.47 0.00 0.00 55.73 54.68 1c2p s ARG 386 Cb 0.01 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.79 1c2p s ARG 386 CO 0.19 -0.54 1.66 0.34 -1.08 0.00 0.00 175.30 175.87 1c2p s ASP 387 N -2.73 6.53 0.00 -2.89 -1.08 -1.26 -4.90 116.67 110.34 1c2p s ASP 387 Ca 0.06 2.64 0.06 0.00 -0.52 0.00 0.00 52.55 54.79 1c2p s ASP 387 Cb -0.02 -2.58 0.19 0.00 -1.46 0.00 0.00 42.92 39.06 1c2p s ASP 387 CO -0.06 -0.90 1.16 -0.81 0.52 0.00 0.00 175.17 175.08 1c2p n PRO 388 N 4.77 1.45 -0.01 4.34 -0.04 -1.26 -4.42 135.00 139.83 1c2p n PRO 388 Ca 0.15 -0.71 -0.09 0.00 -0.04 0.00 0.00 63.50 62.82 1c2p n PRO 388 Cb 0.39 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 1c2p n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1c2p h THR 389 N 1.15 0.53 -0.26 0.52 2.02 -1.95 -0.28 112.91 114.64 1c2p h THR 389 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1c2p h THR 389 Cb 0.26 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1c2p h THR 389 CO 0.00 0.00 -0.14 0.74 0.37 0.00 0.00 175.52 176.49 1c2p h THR 390 N -0.22 1.30 -0.61 3.16 2.02 -1.96 -0.89 112.91 115.71 1c2p h THR 390 Ca 0.11 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.08 1c2p h THR 390 Cb 0.37 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1c2p h THR 390 CO -0.28 0.39 0.41 -0.65 0.37 0.00 0.00 175.52 175.75 1c2p h PRO 391 N 0.28 0.69 -0.04 6.66 0.11 -1.78 -1.81 132.00 136.12 1c2p h PRO 391 Ca 0.06 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.89 1c2p h PRO 391 Cb 0.66 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.62 1c2p h PRO 391 CO 0.04 0.46 -0.92 -0.07 -0.21 0.00 0.00 178.00 177.30 1c2p h LEU 392 N 0.71 0.73 -0.57 2.35 3.38 -0.85 -1.74 115.31 119.32 1c2p h LEU 392 Ca 0.25 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1c2p h LEU 392 Cb 0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1c2p h LEU 392 CO -0.07 1.34 0.37 0.00 0.09 0.00 0.00 178.44 180.18 1c2p h ALA 393 N 0.62 0.73 -0.20 1.53 0.00 -0.81 -1.62 119.26 119.51 1c2p h ALA 393 Ca -0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1c2p h ALA 393 Cb 1.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1c2p h ALA 393 CO 0.17 0.14 -0.44 0.00 0.00 0.00 0.00 179.25 179.13 1c2p h ARG 394 N 0.75 0.48 -0.74 0.00 3.08 -1.35 -2.70 114.38 113.90 1c2p h ARG 394 Ca 0.21 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1c2p h ARG 394 Cb -0.06 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1c2p h ARG 394 CO -0.06 0.83 0.34 0.00 -1.07 0.00 0.00 179.97 180.01 1c2p h ALA 395 N 1.14 1.20 -0.54 0.04 0.00 -0.96 -0.55 119.26 119.60 1c2p h ALA 395 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1c2p h ALA 395 Cb 0.93 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1c2p h ALA 395 CO 0.08 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.18 1c2p h ALA 396 N 1.32 0.69 -0.19 0.00 0.00 -1.05 -0.49 119.26 119.54 1c2p h ALA 396 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1c2p h ALA 396 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1c2p h ALA 396 CO -0.03 0.26 0.09 2.35 0.00 0.00 0.00 179.25 181.92 1c2p h TRP 397 N 0.72 0.27 0.00 0.00 2.91 -1.15 -2.48 115.95 116.22 1c2p h TRP 397 Ca 0.18 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 1c2p h TRP 397 Cb 0.13 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 28.69 1c2p h TRP 397 CO -0.00 0.28 -0.02 0.93 -1.03 0.00 0.00 178.44 178.60 1c2p h GLU 398 N 0.18 0.00 -0.46 2.65 5.08 -0.87 -1.39 114.58 119.78 1c2p h GLU 398 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1c2p h GLU 398 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1c2p h GLU 398 CO -0.01 0.02 -0.07 1.15 -1.00 0.00 0.00 179.01 179.10 1c2p h THR 399 N 0.00 1.25 -0.00 1.13 2.02 -0.60 -3.28 112.91 113.43 1c2p h THR 399 Ca -0.00 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1c2p h THR 399 Cb 0.31 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1c2p h THR 399 CO 0.00 0.39 -0.64 0.00 0.37 0.00 0.00 175.52 175.63 1c2p n ALA 400 N -2.48 3.82 -3.04 6.16 0.00 -0.91 -4.91 120.51 119.15 1c2p n ALA 400 Ca 0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.85 1c2p n ALA 400 Cb 0.34 -0.54 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 1c2p n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c2p s ARG 401 N -2.32 0.46 0.00 0.00 1.81 -0.57 -4.90 118.95 113.42 1c2p s ARG 401 Ca 0.07 -0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 53.66 1c2p s ARG 401 Cb 0.12 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 34.10 1c2p s ARG 401 CO 0.58 0.04 0.92 -1.01 -0.68 0.00 0.00 175.30 175.15 1c2p s HIS 402 N 0.21 3.66 0.30 -0.53 3.76 -1.26 -4.28 115.29 117.15 1c2p s HIS 402 Ca -0.02 1.62 0.11 0.00 -0.15 0.00 0.00 55.06 56.61 1c2p s HIS 402 Cb -0.06 -3.04 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 1c2p s HIS 402 CO -0.00 0.04 -0.12 0.95 -0.85 0.00 0.00 174.74 174.76 1c2p s THR 403 N 0.82 2.63 0.35 1.30 -4.23 -1.26 -5.04 115.64 110.20 1c2p s THR 403 Ca 0.48 -2.22 0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1c2p s THR 403 Cb -0.21 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.20 1c2p s THR 403 CO 0.26 -0.33 1.81 -0.65 -0.54 0.00 0.00 174.62 175.17 1c2p h PRO 404 N 2.09 0.20 -4.45 3.99 0.11 -1.96 -3.41 132.00 128.57 1c2p h PRO 404 Ca -0.41 -0.07 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 1c2p h PRO 404 Cb 1.26 -0.02 -0.36 0.00 0.11 0.00 0.00 31.00 31.99 1c2p h PRO 404 CO 0.63 0.47 -0.82 0.08 -0.21 0.00 0.00 178.00 178.16 1c2p s VAL 405 N -4.40 1.21 -0.72 3.15 1.01 -1.26 -4.69 120.40 114.70 1c2p s VAL 405 Ca -0.05 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1c2p s VAL 405 Cb 0.14 -1.16 0.10 0.00 0.00 0.00 0.00 36.38 35.46 1c2p s VAL 405 CO 0.75 0.39 0.94 0.20 0.00 0.00 0.00 175.10 177.38 1c2p s ASN 406 N 1.32 6.31 0.42 3.32 0.01 -0.64 -4.89 114.94 120.78 1c2p s ASN 406 Ca -0.01 -1.41 0.17 0.00 -0.71 0.00 0.00 52.86 50.90 1c2p s ASN 406 Cb -0.14 -2.38 0.94 0.00 0.41 0.00 0.00 41.25 40.08 1c2p s ASN 406 CO -0.05 -1.25 1.90 0.77 -1.51 0.00 0.00 177.10 176.96 1c2p h SER 407 N 9.25 0.00 -0.96 -1.22 4.64 -1.93 -2.84 113.55 120.49 1c2p h SER 407 Ca -0.16 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1c2p h SER 407 Cb 1.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 1c2p h SER 407 CO 1.14 0.28 0.64 4.11 -0.87 0.00 0.00 176.83 182.12 1c2p h TRP 408 N 0.00 1.21 -0.23 4.77 5.08 -1.90 0.51 115.95 125.40 1c2p h TRP 408 Ca -0.00 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.92 1c2p h TRP 408 Cb 0.55 -0.41 -0.01 0.00 -3.00 0.00 0.00 29.16 26.30 1c2p h TRP 408 CO 0.00 0.75 -0.15 1.25 -1.28 0.00 0.00 178.44 179.02 1c2p h LEU 409 N 1.30 0.52 -0.85 0.11 5.85 -1.90 -1.20 115.31 119.14 1c2p h LEU 409 Ca 0.36 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1c2p h LEU 409 Cb -0.14 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1c2p h LEU 409 CO -0.08 0.84 0.56 1.23 -0.34 0.00 0.00 178.44 180.65 1c2p h GLY 410 N 0.20 1.19 1.35 3.75 0.00 -1.38 -1.52 103.07 106.67 1c2p h GLY 410 Ca 0.05 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1c2p h GLY 410 CO 0.04 0.43 -0.12 3.43 0.00 0.00 0.00 176.54 180.32 1c2p h ASN 411 N 1.14 0.76 -0.19 0.19 2.35 -0.79 -2.83 115.58 116.21 1c2p h ASN 411 Ca 0.31 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1c2p h ASN 411 Cb -0.12 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1c2p h ASN 411 CO -0.07 0.89 0.04 0.40 -1.65 0.00 0.00 177.43 177.04 1c2p h ILE 412 N 0.69 1.22 0.00 2.81 2.04 -0.84 0.21 117.51 123.64 1c2p h ILE 412 Ca 0.12 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1c2p h ILE 412 Cb 0.59 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1c2p h ILE 412 CO 0.04 0.22 0.00 -0.38 0.00 0.00 0.00 178.15 178.03 1c2p n ILE 413 N -4.76 0.00 0.00 -0.67 5.41 -0.61 -0.49 119.36 118.25 1c2p n ILE 413 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1c2p n ILE 413 Cb 0.18 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 1c2p n ILE 413 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1c2p n TYR 415 N -0.49 0.00 -0.35 1.39 4.01 0.73 -4.93 117.16 117.53 1c2p n TYR 415 Ca 0.00 0.00 0.22 0.00 -0.16 0.00 0.00 57.90 57.96 1c2p n TYR 415 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 1c2p n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1c2p h ALA 416 N 0.11 2.02 0.00 -0.72 0.00 -0.93 -0.23 119.26 119.51 1c2p h ALA 416 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1c2p h ALA 416 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1c2p h ALA 416 CO 0.00 -0.53 0.00 -2.30 0.00 0.00 0.00 179.25 176.42 1c2p n PRO 417 N -4.86 0.11 -1.89 0.00 -0.02 -1.26 -4.47 135.00 122.60 1c2p n PRO 417 Ca 0.29 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1c2p n PRO 417 Cb 0.91 -1.68 0.03 0.00 -0.02 0.00 0.00 33.50 32.73 1c2p n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1c2p s THR 418 N -3.13 3.80 0.13 3.45 -4.23 -0.10 -4.94 115.64 110.62 1c2p s THR 418 Ca 0.08 0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 61.20 1c2p s THR 418 Cb 0.11 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 1c2p s THR 418 CO 0.41 -0.57 1.68 0.25 -0.54 0.00 0.00 174.62 175.85 1c2p h LEU 419 N 0.09 0.54 -0.24 4.79 5.85 -1.89 -2.47 115.31 121.98 1c2p h LEU 419 Ca -0.46 -0.16 -0.20 0.00 0.84 0.00 0.00 57.88 57.89 1c2p h LEU 419 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1c2p h LEU 419 CO 0.57 0.56 -0.66 4.11 -0.34 0.00 0.00 178.44 182.67 1c2p h TRP 420 N 0.49 1.07 -0.24 1.25 5.08 -1.93 -3.19 115.95 118.47 1c2p h TRP 420 Ca 0.13 -0.43 -0.15 0.00 1.08 0.00 0.00 58.89 59.53 1c2p h TRP 420 Cb 0.18 -0.18 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 1c2p h TRP 420 CO -0.00 1.25 -0.46 0.00 -1.28 0.00 0.00 178.44 177.96 1c2p h ALA 421 N 0.64 0.74 0.00 0.11 0.00 -1.80 -1.96 119.26 117.00 1c2p h ALA 421 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1c2p h ALA 421 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1c2p h ALA 421 CO 0.14 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.60 1c2p n ARG 422 N -4.01 0.57 0.00 0.00 1.74 -0.93 -3.01 116.66 111.02 1c2p n ARG 422 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1c2p n ARG 422 Cb 0.55 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 1c2p n ARG 422 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1c2p n ILE 424 N -0.57 0.00 0.07 0.55 5.41 -0.75 -4.00 119.36 120.06 1c2p n ILE 424 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1c2p n ILE 424 Cb 0.01 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 1c2p n ILE 424 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1c2p n LEU 425 N -1.93 0.04 0.00 1.39 4.77 -1.16 -0.87 117.00 119.25 1c2p n LEU 425 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1c2p n LEU 425 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1c2p n LEU 425 CO 0.00 0.01 0.00 0.41 -1.33 0.00 0.00 177.39 176.48 1c2p n THR 427 N 0.22 0.00 0.19 -5.08 -1.04 -1.26 -1.86 114.28 105.46 1c2p n THR 427 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1c2p n THR 427 Cb 0.01 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.44 1c2p n THR 427 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1c2p h HIS 428 N 0.00 -1.25 -0.24 -1.42 6.17 -1.39 -2.23 115.15 114.80 1c2p h HIS 428 Ca 0.00 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.00 1c2p h HIS 428 Cb 0.00 0.51 -0.01 0.00 2.52 0.00 0.00 27.41 30.43 1c2p h HIS 428 CO 0.00 -0.57 -0.29 0.74 0.71 0.00 0.00 177.93 178.51 1c2p h PHE 429 N -0.79 0.54 0.00 5.26 0.04 -1.59 -2.35 116.94 118.06 1c2p h PHE 429 Ca -0.01 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.55 1c2p h PHE 429 Cb 0.75 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1c2p h PHE 429 CO -0.32 0.72 -0.40 0.74 -0.60 0.00 0.00 178.31 178.46 1c2p h PHE 430 N 0.41 0.00 -0.29 -0.55 -1.00 -1.75 -0.64 116.94 113.13 1c2p h PHE 430 Ca 0.05 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 1c2p h PHE 430 Cb 0.73 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 1c2p h PHE 430 CO 0.02 0.40 0.08 1.03 -1.61 0.00 0.00 178.31 178.24 1c2p h SER 431 N 0.00 0.43 -0.53 2.17 0.87 -0.90 -0.78 113.55 114.82 1c2p h SER 431 Ca -0.00 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 1c2p h SER 431 Cb 0.71 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1c2p h SER 431 CO 0.05 0.53 0.02 0.40 -0.53 0.00 0.00 176.83 177.30 1c2p h ILE 432 N 0.30 1.26 -0.51 2.23 2.04 -1.12 -2.51 117.51 119.21 1c2p h ILE 432 Ca 0.09 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1c2p h ILE 432 Cb 0.26 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1c2p h ILE 432 CO -0.00 0.38 0.05 -0.07 0.00 0.00 0.00 178.15 178.51 1c2p h LEU 433 N 0.79 0.77 0.22 1.44 3.38 -0.95 -2.71 115.31 118.25 1c2p h LEU 433 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1c2p h LEU 433 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1c2p h LEU 433 CO 0.02 0.81 -0.11 -0.07 0.09 0.00 0.00 178.44 179.18 1c2p h LEU 434 N 0.77 -0.25 -1.89 1.67 3.38 -0.99 0.38 115.31 118.37 1c2p h LEU 434 Ca 0.16 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1c2p h LEU 434 Cb 0.39 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1c2p h LEU 434 CO 0.01 -0.09 0.32 0.00 0.09 0.00 0.00 178.44 178.77 1c2p h ALA 435 N 0.35 2.26 -0.17 1.53 0.00 -1.30 -0.72 119.26 121.21 1c2p h ALA 435 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1c2p h ALA 435 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1c2p h ALA 435 CO 0.05 -0.38 0.00 1.04 0.00 0.00 0.00 179.25 179.96 1c2p n GLN 436 N -4.44 2.16 -3.75 0.00 1.13 -1.04 -4.98 117.38 106.46 1c2p n GLN 436 Ca 0.07 -1.96 -0.22 0.00 -1.94 0.00 0.00 57.00 52.95 1c2p n GLN 436 Cb 0.44 -1.44 0.02 0.00 0.11 0.00 0.00 30.24 29.38 1c2p n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1c2p n GLU 437 N 1.27 -4.71 -0.44 -1.09 1.02 -0.28 -4.92 120.64 111.49 1c2p n GLU 437 Ca 0.15 0.59 0.06 0.00 -0.02 0.00 0.00 57.16 57.93 1c2p n GLU 437 Cb 0.55 -5.10 0.19 0.00 -0.02 0.00 0.00 31.44 27.05 1c2p n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1c2p n GLN 438 N -4.32 1.64 0.06 3.49 6.02 0.01 -4.74 117.38 119.54 1c2p n GLN 438 Ca -0.28 -3.00 0.07 0.00 -0.01 0.00 0.00 57.00 53.77 1c2p n GLN 438 Cb 0.67 -1.63 0.50 0.00 1.02 0.00 0.00 30.24 30.80 1c2p n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1c2p h LEU 439 N 0.73 0.31 -1.59 1.08 4.07 -1.92 -1.93 115.31 116.07 1c2p h LEU 439 Ca 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1c2p h LEU 439 Cb 1.14 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1c2p h LEU 439 CO 0.08 0.22 0.00 -0.62 -1.08 0.00 0.00 178.44 177.04 1c2p n GLU 440 N -4.49 2.05 -2.85 1.13 4.71 -1.26 -2.34 120.64 117.60 1c2p n GLU 440 Ca 0.03 -1.57 -0.42 0.00 -0.01 0.00 0.00 57.16 55.18 1c2p n GLU 440 Cb 0.13 -1.44 -0.04 0.00 -1.01 0.00 0.00 31.44 29.07 1c2p n GLU 440 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1c2p s LYS 441 N -1.71 4.05 0.15 3.49 2.20 -0.73 -4.92 119.74 122.27 1c2p s LYS 441 Ca 0.34 0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 56.46 1c2p s LYS 441 Cb 0.20 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.71 1c2p s LYS 441 CO 0.29 -0.69 1.54 0.00 -0.36 0.00 0.00 175.35 176.12 1c2p s ALA 442 N 3.11 3.74 0.13 3.13 0.00 -1.26 -4.37 121.76 126.24 1c2p s ALA 442 Ca 0.37 1.32 0.11 0.00 0.00 0.00 0.00 51.96 53.75 1c2p s ALA 442 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1c2p s ALA 442 CO 0.12 -0.77 -0.25 -0.51 0.00 0.00 0.00 175.76 174.35 1c2p s LEU 443 N 1.21 2.41 0.02 0.00 1.43 -0.03 -4.85 118.68 118.87 1c2p s LEU 443 Ca 0.69 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 1c2p s LEU 443 Cb -0.42 -1.29 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 1c2p s LEU 443 CO 0.31 0.18 0.56 -1.81 0.23 0.00 0.00 176.35 175.82 1c2p s ASP 444 N -2.10 6.98 0.30 2.29 1.01 -1.26 -0.55 116.67 123.33 1c2p s ASP 444 Ca 0.15 1.16 -0.01 0.00 0.71 0.00 0.00 52.55 54.57 1c2p s ASP 444 Cb -0.10 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1c2p s ASP 444 CO 0.07 0.19 0.35 0.00 0.21 0.00 0.00 175.17 175.99 1c2p s GLN 446 N -3.49 1.34 -0.16 0.00 -0.21 -1.26 -1.12 119.66 114.75 1c2p s GLN 446 Ca 0.34 -0.48 -0.00 0.00 0.02 0.00 0.00 55.36 55.24 1c2p s GLN 446 Cb 0.02 -1.21 0.04 0.00 1.00 0.00 0.00 33.01 32.85 1c2p s GLN 446 CO 0.19 0.21 -0.06 0.42 -2.12 0.00 0.00 175.29 173.94 1c2p s ILE 447 N 0.00 1.15 -1.45 1.08 1.01 -0.26 -4.73 121.20 118.01 1c2p s ILE 447 Ca -0.01 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1c2p s ILE 447 Cb -0.09 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 41.12 1c2p s ILE 447 CO 0.01 0.16 0.68 -1.22 0.00 0.00 0.00 174.94 174.57 1c2p n TYR 448 N 4.86 -2.06 0.00 3.97 4.01 -1.26 -2.20 117.16 124.48 1c2p n TYR 448 Ca -0.12 0.61 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 1c2p n TYR 448 Cb 0.48 -4.03 0.00 0.00 -0.31 0.00 0.00 39.34 35.48 1c2p n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1c2p n GLY 449 N -1.49 2.97 3.86 2.72 0.00 -1.26 -1.04 105.19 110.95 1c2p n GLY 449 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1c2p n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2p s ALA 450 N -1.80 3.40 -0.14 4.61 0.00 -0.94 -4.39 121.76 122.51 1c2p s ALA 450 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1c2p s ALA 450 Cb 0.00 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1c2p s ALA 450 CO 0.00 0.34 0.23 0.00 0.00 0.00 0.00 175.76 176.33 1c2p s TYR 452 N -0.16 1.07 -0.32 0.00 2.02 -0.28 -0.47 117.35 119.20 1c2p s TYR 452 Ca 0.15 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.52 1c2p s TYR 452 Cb -0.13 -0.69 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 1c2p s TYR 452 CO 0.04 -0.03 0.22 0.45 -1.57 0.00 0.00 175.55 174.66 1c2p s SER 453 N -0.24 5.97 -0.02 2.29 0.15 -1.22 -0.97 113.70 119.66 1c2p s SER 453 Ca 0.04 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.38 1c2p s SER 453 Cb -0.05 -2.11 -0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1c2p s SER 453 CO -0.00 -0.19 -0.13 -0.63 1.20 0.00 0.00 173.24 173.49 1c2p s ILE 454 N 1.71 1.02 -0.12 6.45 1.01 0.28 -4.87 121.20 126.69 1c2p s ILE 454 Ca 0.06 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 1c2p s ILE 454 Cb -0.17 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1c2p s ILE 454 CO 0.10 0.30 0.63 -1.61 0.00 0.00 0.00 174.94 174.36 1c2p s GLU 455 N -0.10 4.34 0.56 2.79 2.02 -1.26 -0.85 118.70 126.21 1c2p s GLU 455 Ca 0.01 0.70 0.28 0.00 0.02 0.00 0.00 54.97 55.98 1c2p s GLU 455 Cb -0.07 -3.49 1.48 0.00 0.10 0.00 0.00 34.13 32.15 1c2p s GLU 455 CO 0.00 -0.03 1.97 -1.35 0.02 0.00 0.00 175.26 175.88 1c2p h PRO 456 N 7.00 0.00 0.00 0.39 0.11 -1.75 0.51 132.00 138.27 1c2p h PRO 456 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1c2p h PRO 456 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1c2p h PRO 456 CO 0.76 0.00 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.48 1c2p h LEU 457 N 0.00 0.00 -0.27 2.35 3.38 -1.84 -1.92 115.31 117.01 1c2p h LEU 457 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1c2p h LEU 457 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1c2p h LEU 457 CO -0.00 0.00 -0.10 0.47 0.09 0.00 0.00 178.44 178.90 1c2p n ASP 458 N -3.10 0.52 -0.28 -0.43 8.00 0.17 -4.39 116.55 117.05 1c2p n ASP 458 Ca -0.02 -0.66 0.04 0.00 0.71 0.00 0.00 54.79 54.86 1c2p n ASP 458 Cb 0.17 -0.06 0.18 0.00 -0.02 0.00 0.00 41.12 41.39 1c2p n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1c2p h LEU 459 N 0.66 0.53 -0.24 0.64 3.38 -1.48 -1.56 115.31 117.24 1c2p h LEU 459 Ca 0.00 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1c2p h LEU 459 Cb 0.35 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1c2p h LEU 459 CO 0.00 0.27 0.08 -0.65 0.09 0.00 0.00 178.44 178.23 1c2p h PRO 460 N 0.65 0.18 -0.34 1.13 0.11 -1.83 0.08 132.00 131.98 1c2p h PRO 460 Ca 0.41 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.49 1c2p h PRO 460 Cb 0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1c2p h PRO 460 CO -0.31 0.12 0.13 1.96 -0.21 0.00 0.00 178.00 179.69 1c2p h GLN 461 N 0.19 0.51 -0.26 1.05 4.20 -1.79 -1.08 115.11 117.93 1c2p h GLN 461 Ca 0.11 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1c2p h GLN 461 Cb 0.08 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1c2p h GLN 461 CO -0.11 0.51 0.11 0.82 -0.67 0.00 0.00 178.83 179.49 1c2p h ILE 462 N 0.40 0.97 -0.55 2.54 2.04 -1.06 -1.14 117.51 120.70 1c2p h ILE 462 Ca 0.11 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1c2p h ILE 462 Cb 0.19 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1c2p h ILE 462 CO -0.01 0.05 0.26 0.40 0.00 0.00 0.00 178.15 178.85 1c2p h ILE 463 N 0.25 1.20 -0.07 -0.67 2.04 -0.85 -1.65 117.51 117.76 1c2p h ILE 463 Ca 0.11 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1c2p h ILE 463 Cb 0.05 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1c2p h ILE 463 CO -0.09 0.23 -0.04 -0.08 0.00 0.00 0.00 178.15 178.18 1c2p h GLU 464 N 0.75 -0.03 -0.92 2.37 4.81 -0.87 0.13 114.58 120.82 1c2p h GLU 464 Ca 0.19 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1c2p h GLU 464 Cb 0.13 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 1c2p h GLU 464 CO -0.02 -0.02 0.60 0.00 -0.73 0.00 0.00 179.01 178.83 1c2p h ARG 465 N -0.03 1.01 0.13 1.92 2.47 -0.94 0.18 114.38 119.12 1c2p h ARG 465 Ca 0.04 -0.06 -0.34 0.00 -1.26 0.00 0.00 59.98 58.36 1c2p h ARG 465 Cb 0.09 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1c2p h ARG 465 CO -0.10 0.67 -1.81 -0.07 0.56 0.00 0.00 179.97 179.23 1c2p h LEU 466 N 1.04 0.44 0.00 3.04 3.38 -0.94 -3.41 115.31 118.86 1c2p h LEU 466 Ca 0.40 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1c2p h LEU 466 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1c2p h LEU 466 CO -0.15 1.68 -0.32 1.41 0.09 0.00 0.00 178.44 181.15 1c2p n HIS 467 N -3.47 0.00 0.00 1.13 8.25 0.43 -4.63 115.22 116.92 1c2p n HIS 467 Ca -0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1c2p n HIS 467 Cb 1.06 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.16 1c2p n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c2p n GLY 468 N 1.19 -0.36 0.25 -1.41 0.00 0.64 -4.36 105.19 101.14 1c2p n GLY 468 Ca 0.01 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1c2p n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1c2p h LEU 469 N 0.00 0.00 -1.74 0.99 3.38 -1.90 -2.98 115.31 113.06 1c2p h LEU 469 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1c2p h LEU 469 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1c2p h LEU 469 CO 0.00 0.14 0.46 0.77 0.09 0.00 0.00 178.44 179.90 1c2p h SER 470 N 0.00 0.24 -0.07 -0.43 4.64 -1.96 -0.44 113.55 115.54 1c2p h SER 470 Ca -0.00 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1c2p h SER 470 Cb 0.51 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1c2p h SER 470 CO 0.02 0.13 0.09 0.00 -0.87 0.00 0.00 176.83 176.20 1c2p h ALA 471 N 1.67 1.52 -0.02 5.18 0.00 -1.72 0.55 119.26 126.45 1c2p h ALA 471 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1c2p h ALA 471 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1c2p h ALA 471 CO -0.07 -0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.24 1c2p n PHE 472 N -3.64 0.01 -0.87 0.00 3.72 -0.17 -4.29 117.46 112.21 1c2p n PHE 472 Ca -0.01 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1c2p n PHE 472 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1c2p n PHE 472 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1c2p n SER 473 N 0.07 0.24 -4.76 4.37 3.41 0.11 -4.53 113.62 112.53 1c2p n SER 473 Ca 0.19 -1.12 -0.39 0.00 -0.26 0.00 0.00 58.87 57.30 1c2p n SER 473 Cb 0.33 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1c2p n SER 473 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1c2p s LEU 474 N -0.12 4.09 0.35 1.04 1.43 -0.76 -4.14 118.68 120.58 1c2p s LEU 474 Ca 0.00 2.74 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 1c2p s LEU 474 Cb 0.00 -4.01 0.02 0.00 0.03 0.00 0.00 46.19 42.23 1c2p s LEU 474 CO 0.00 -1.11 0.59 -1.38 0.23 0.00 0.00 176.35 174.68 1c2p s HIS 475 N -1.27 0.68 -1.07 0.29 -3.43 -0.06 -4.94 115.29 105.49 1c2p s HIS 475 Ca 0.62 -1.08 -0.17 0.00 -0.80 0.00 0.00 55.06 53.63 1c2p s HIS 475 Cb -0.40 0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 31.00 1c2p s HIS 475 CO 0.50 -1.28 0.78 0.43 -2.00 0.00 0.00 174.74 173.17 1c2p n SER 476 N -1.34 -5.59 -4.77 7.38 7.64 -1.26 -0.74 113.62 114.93 1c2p n SER 476 Ca -0.02 -0.91 -0.33 0.00 1.01 0.00 0.00 58.87 58.62 1c2p n SER 476 Cb 0.61 -3.48 0.05 0.00 -1.01 0.00 0.00 64.21 60.38 1c2p n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1c2p s TYR 477 N -3.37 2.65 0.54 1.43 1.51 -1.26 -4.18 117.35 114.66 1c2p s TYR 477 Ca 0.39 1.55 -0.21 0.00 -1.01 0.00 0.00 57.07 57.79 1c2p s TYR 477 Cb -0.14 -3.13 -0.05 0.00 -0.11 0.00 0.00 41.96 38.54 1c2p s TYR 477 CO 0.85 -1.67 1.26 -1.54 -1.11 0.00 0.00 175.55 173.34 1c2p s SER 478 N -2.79 5.48 0.28 2.29 1.04 -1.16 -4.82 113.70 114.00 1c2p s SER 478 Ca 0.65 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.61 1c2p s SER 478 Cb -0.19 -2.61 0.53 0.00 0.10 0.00 0.00 66.02 63.84 1c2p s SER 478 CO 0.44 -1.41 1.83 -0.65 0.98 0.00 0.00 173.24 174.43 1c2p h PRO 479 N 1.42 0.91 -0.59 4.02 0.11 -1.94 -0.72 132.00 135.21 1c2p h PRO 479 Ca -0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 1c2p h PRO 479 Cb 1.29 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1c2p h PRO 479 CO 0.57 0.60 0.24 0.78 -0.21 0.00 0.00 178.00 179.98 1c2p h GLY 480 N 0.93 0.95 0.94 -0.55 0.00 -1.99 0.25 103.07 103.60 1c2p h GLY 480 Ca 0.48 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1c2p h GLY 480 CO -0.27 0.48 -0.18 -2.09 0.00 0.00 0.00 176.54 174.48 1c2p h GLU 481 N 0.82 0.67 -0.17 4.80 4.57 -1.75 -1.88 114.58 121.64 1c2p h GLU 481 Ca 0.20 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1c2p h GLU 481 Cb 0.20 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1c2p h GLU 481 CO -0.02 0.90 0.11 0.82 -1.18 0.00 0.00 179.01 179.64 1c2p h ILE 482 N 0.43 1.07 -0.62 2.32 2.04 -1.00 -1.82 117.51 119.92 1c2p h ILE 482 Ca 0.06 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1c2p h ILE 482 Cb 0.72 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1c2p h ILE 482 CO 0.05 0.06 0.30 0.78 0.00 0.00 0.00 178.15 179.34 1c2p h ASN 483 N 0.21 0.79 -0.35 1.72 2.35 -0.93 -0.85 115.58 118.52 1c2p h ASN 483 Ca 0.06 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1c2p h ASN 483 Cb 0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1c2p h ASN 483 CO -0.01 0.67 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.25 1c2p h ARG 484 N 0.88 0.67 0.09 0.81 2.43 -1.03 -1.46 114.38 116.77 1c2p h ARG 484 Ca 0.22 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1c2p h ARG 484 Cb 0.09 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1c2p h ARG 484 CO -0.03 0.84 -0.04 0.28 -1.51 0.00 0.00 179.97 179.51 1c2p h VAL 485 N 0.46 0.92 -0.87 0.20 2.07 -0.93 -2.45 116.25 115.65 1c2p h VAL 485 Ca 0.09 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.65 1c2p h VAL 485 Cb 0.60 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 1c2p h VAL 485 CO 0.04 0.01 0.53 0.00 0.02 0.00 0.00 177.57 178.17 1c2p h ALA 486 N 0.77 1.24 -0.54 1.67 0.00 -1.08 -1.85 119.26 119.46 1c2p h ALA 486 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1c2p h ALA 486 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1c2p h ALA 486 CO 0.02 0.21 -0.01 0.77 0.00 0.00 0.00 179.25 180.24 1c2p h SER 487 N 0.91 0.90 -0.80 0.00 0.02 -1.14 -2.64 113.55 110.81 1c2p h SER 487 Ca 0.40 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1c2p h SER 487 Cb 0.29 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1c2p h SER 487 CO -0.22 0.96 0.32 0.00 -1.14 0.00 0.00 176.83 176.76 1c2p h LEU 489 N 1.17 0.78 -0.76 0.00 3.38 -1.21 -1.35 115.31 117.32 1c2p h LEU 489 Ca 0.27 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1c2p h LEU 489 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1c2p h LEU 489 CO -0.02 0.87 0.34 0.03 0.09 0.00 0.00 178.44 179.75 1c2p h ARG 490 N 0.66 1.11 -0.27 1.13 3.08 -1.29 0.39 114.38 119.19 1c2p h ARG 490 Ca 0.14 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1c2p h ARG 490 Cb 0.46 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1c2p h ARG 490 CO 0.02 0.88 0.15 -0.22 -1.07 0.00 0.00 179.97 179.73 1c2p h LYS 491 N 1.08 0.37 0.00 0.04 3.64 -0.94 -3.05 116.57 117.71 1c2p h LYS 491 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1c2p h LYS 491 Cb 0.16 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1c2p h LYS 491 CO -0.03 0.32 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.12 1c2p h LEU 492 N 0.32 0.00 -0.97 5.20 4.07 -1.09 -3.47 115.31 119.37 1c2p h LEU 492 Ca 0.09 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 1c2p h LEU 492 Cb 0.05 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.81 1c2p h LEU 492 CO -0.02 0.04 -0.07 0.61 -1.08 0.00 0.00 178.44 177.93 1c2p n GLY 493 N 1.30 0.81 3.80 0.83 0.00 0.11 -1.92 105.19 110.13 1c2p n GLY 493 Ca 0.04 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1c2p n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c2p s VAL 494 N -3.02 5.30 0.34 1.61 1.01 0.17 -1.06 120.40 124.75 1c2p s VAL 494 Ca 0.06 0.50 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 1c2p s VAL 494 Cb -0.02 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 1c2p s VAL 494 CO 0.07 0.51 1.06 -2.65 0.00 0.00 0.00 175.10 174.09 1c2p n PRO 495 N 2.65 1.50 -1.01 2.72 -0.02 -1.26 -4.51 135.00 135.07 1c2p n PRO 495 Ca -0.15 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 1c2p n PRO 495 Cb 0.53 -1.99 0.14 0.00 -0.02 0.00 0.00 33.50 32.16 1c2p n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1c2p s PRO 496 N -1.75 1.48 0.39 0.52 0.04 -1.26 -4.79 135.00 129.63 1c2p s PRO 496 Ca 0.59 1.71 0.17 0.00 0.04 0.00 0.00 61.00 63.52 1c2p s PRO 496 Cb -0.63 -1.76 1.08 0.00 0.04 0.00 0.00 34.50 33.22 1c2p s PRO 496 CO 0.60 -2.32 1.76 -0.07 0.04 0.00 0.00 177.00 177.01 1c2p h LEU 497 N -1.14 0.47 -1.47 -3.56 3.38 -1.99 -0.57 115.31 110.45 1c2p h LEU 497 Ca -0.45 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1c2p h LEU 497 Cb 1.29 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1c2p h LEU 497 CO 0.45 0.09 0.42 0.08 0.09 0.00 0.00 178.44 179.56 1c2p h ARG 498 N 0.41 0.65 -0.33 1.13 0.11 -2.00 -0.99 114.38 113.36 1c2p h ARG 498 Ca 0.60 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 60.55 1c2p h ARG 498 Cb 1.48 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.41 1c2p h ARG 498 CO -0.32 0.43 -0.18 0.28 0.10 0.00 0.00 179.97 180.28 1c2p h VAL 499 N 0.67 1.29 -0.68 0.08 2.07 -1.44 -2.69 116.25 115.56 1c2p h VAL 499 Ca 0.26 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1c2p h VAL 499 Cb 0.20 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1c2p h VAL 499 CO -0.08 0.42 0.36 -0.50 0.02 0.00 0.00 177.57 177.79 1c2p h TRP 500 N 0.47 0.93 -0.70 1.57 4.06 -1.18 -0.93 115.95 120.17 1c2p h TRP 500 Ca 0.07 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.94 1c2p h TRP 500 Cb 0.71 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.55 1c2p h TRP 500 CO 0.06 0.66 0.19 -0.09 -3.56 0.00 0.00 178.44 175.70 1c2p h ARG 501 N 0.95 1.10 -0.19 0.49 2.43 -1.08 0.36 114.38 118.44 1c2p h ARG 501 Ca 0.24 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1c2p h ARG 501 Cb 0.05 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1c2p h ARG 501 CO -0.04 0.96 0.12 1.25 -1.51 0.00 0.00 179.97 180.76 1c2p h HIS 502 N 1.04 0.25 -0.70 2.20 2.76 -1.05 -2.60 115.15 117.05 1c2p h HIS 502 Ca 0.22 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1c2p h HIS 502 Cb 0.34 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 1c2p h HIS 502 CO 0.03 0.18 0.28 0.00 -1.30 0.00 0.00 177.93 177.11 1c2p h ARG 503 N 0.25 1.03 -0.88 5.26 3.08 -0.84 -2.90 114.38 119.38 1c2p h ARG 503 Ca 0.07 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1c2p h ARG 503 Cb -0.00 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1c2p h ARG 503 CO -0.01 0.84 0.58 0.00 -1.07 0.00 0.00 179.97 180.31 1c2p h ALA 504 N 1.29 1.41 -1.00 0.04 0.00 -0.56 -0.12 119.26 120.32 1c2p h ALA 504 Ca 0.23 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1c2p h ALA 504 Cb 0.19 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1c2p h ALA 504 CO -0.02 0.52 0.66 0.00 0.00 0.00 0.00 179.25 180.41 1c2p h ARG 505 N 1.15 1.21 -0.05 0.00 3.08 -1.27 0.62 114.38 119.12 1c2p h ARG 505 Ca 0.34 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1c2p h ARG 505 Cb -0.05 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.72 1c2p h ARG 505 CO -0.09 0.80 -0.05 1.03 -1.07 0.00 0.00 179.97 180.59 1c2p h SER 506 N 1.25 0.13 -0.91 7.04 0.87 -1.31 -1.48 113.55 119.13 1c2p h SER 506 Ca 0.41 -0.49 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1c2p h SER 506 Cb 0.04 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1c2p h SER 506 CO -0.14 0.60 0.59 0.58 -0.53 0.00 0.00 176.83 177.93 1c2p h VAL 507 N -0.34 1.19 -0.14 2.23 2.07 -0.64 -0.63 116.25 119.98 1c2p h VAL 507 Ca 0.01 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1c2p h VAL 507 Cb 0.56 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1c2p h VAL 507 CO 0.01 0.21 0.09 -0.09 0.02 0.00 0.00 177.57 177.82 1c2p h ARG 508 N 1.18 0.19 -0.71 1.57 2.43 0.31 -1.16 114.38 118.18 1c2p h ARG 508 Ca 0.35 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1c2p h ARG 508 Cb -0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1c2p h ARG 508 CO -0.10 0.14 0.32 0.00 -1.51 0.00 0.00 179.97 178.83 1c2p h ALA 509 N 1.03 0.91 -0.51 2.80 0.00 -0.82 -1.54 119.26 121.14 1c2p h ALA 509 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1c2p h ALA 509 Cb -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1c2p h ALA 509 CO -0.01 0.49 0.30 0.00 0.00 0.00 0.00 179.25 180.03 1c2p h ARG 510 N 0.99 0.58 -0.26 0.00 3.08 -0.82 -1.09 114.38 116.86 1c2p h ARG 510 Ca 0.24 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1c2p h ARG 510 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1c2p h ARG 510 CO -0.03 0.38 0.11 -0.07 -1.07 0.00 0.00 179.97 179.29 1c2p h LEU 511 N 0.60 0.35 -1.30 3.04 3.38 -0.82 -2.62 115.31 117.93 1c2p h LEU 511 Ca 0.21 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1c2p h LEU 511 Cb 0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1c2p h LEU 511 CO -0.10 0.41 0.50 -0.07 0.09 0.00 0.00 178.44 179.27 1c2p h LEU 512 N 0.27 0.77 -2.05 1.67 3.38 -1.07 -1.57 115.31 116.71 1c2p h LEU 512 Ca 0.09 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1c2p h LEU 512 Cb 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1c2p h LEU 512 CO -0.01 0.52 0.07 0.28 0.09 0.00 0.00 178.44 179.39 1c2p h SER 513 N 0.89 0.00 0.98 -0.43 0.02 -0.82 -1.88 113.55 112.31 1c2p h SER 513 Ca 0.31 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.16 1c2p h SER 513 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1c2p h SER 513 CO -0.10 0.00 -0.46 1.56 -1.14 0.00 0.00 176.83 176.69 1c2p h GLN 514 N 0.00 0.00 0.00 3.45 1.08 -1.19 -3.50 115.11 114.95 1c2p h GLN 514 Ca 0.05 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.34 1c2p h GLN 514 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1c2p h GLN 514 CO -0.00 0.46 -0.13 0.41 -0.95 0.00 0.00 178.83 178.63 1c2p n GLY 515 N 0.53 -1.96 7.00 3.46 0.00 -0.71 -4.87 105.19 108.64 1c2p n GLY 515 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1c2p n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2p n GLY 516 N -1.41 0.98 0.33 -0.02 0.00 -1.26 -2.32 105.19 101.49 1c2p n GLY 516 Ca 0.00 -0.64 0.16 0.00 0.00 0.00 0.00 46.02 45.54 1c2p n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c2p h ARG 517 N 0.00 0.00 -0.42 1.61 3.08 -1.95 0.17 114.38 116.87 1c2p h ARG 517 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1c2p h ARG 517 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1c2p h ARG 517 CO 0.00 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.74 1c2p h ALA 518 N 1.82 0.94 -0.47 0.04 0.00 -1.81 -1.82 119.26 117.97 1c2p h ALA 518 Ca 0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1c2p h ALA 518 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1c2p h ALA 518 CO -0.00 0.62 0.11 0.00 0.00 0.00 0.00 179.25 179.97 1c2p h ALA 519 N 1.12 0.62 -0.64 0.00 0.00 -0.55 -1.35 119.26 118.45 1c2p h ALA 519 Ca 0.11 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1c2p h ALA 519 Cb 0.66 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1c2p h ALA 519 CO 0.05 0.31 0.34 1.15 0.00 0.00 0.00 179.25 181.10 1c2p h THR 520 N 0.63 0.94 -0.67 0.00 2.02 -1.21 0.32 112.91 114.93 1c2p h THR 520 Ca 0.15 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1c2p h THR 520 Cb 0.34 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1c2p h THR 520 CO 0.00 0.11 0.43 0.00 0.37 0.00 0.00 175.52 176.44 1c2p h GLY 522 N 0.87 0.85 0.93 0.00 0.00 -0.06 -1.07 103.07 104.58 1c2p h GLY 522 Ca 0.26 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1c2p h GLY 522 CO -0.08 0.51 -0.30 1.70 0.00 0.00 0.00 176.54 178.38 1c2p h LYS 523 N 0.66 -0.80 0.02 4.80 3.64 0.19 -2.94 116.57 122.15 1c2p h LYS 523 Ca 0.15 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1c2p h LYS 523 Cb 0.37 0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1c2p h LYS 523 CO 0.01 -0.50 -0.26 1.88 -2.27 0.00 0.00 179.45 178.30 1c2p h TYR 524 N -0.91 0.21 -0.21 1.91 -1.99 -0.97 -3.13 116.97 111.89 1c2p h TYR 524 Ca -0.08 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.44 1c2p h TYR 524 Cb 0.66 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 1c2p h TYR 524 CO -0.02 1.01 -0.19 -0.07 -0.00 0.00 0.00 178.16 178.89 1c2p h LEU 525 N -0.65 0.36 -3.14 3.88 3.38 -1.34 -3.27 115.31 114.54 1c2p h LEU 525 Ca -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1c2p h LEU 525 Cb 1.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1c2p h LEU 525 CO 0.05 0.58 -0.09 0.49 0.09 0.00 0.00 178.44 179.55 1c2p n PHE 526 N -4.18 0.47 0.28 1.13 3.72 -1.11 -4.64 117.46 113.13 1c2p n PHE 526 Ca -0.00 -1.15 0.12 0.00 -0.05 0.00 0.00 57.45 56.36 1c2p n PHE 526 Cb 0.35 -0.28 0.79 0.00 -0.94 0.00 0.00 39.48 39.40 1c2p n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1c2p h ASN 527 N 0.85 0.00 0.32 4.37 -0.00 -1.59 0.04 115.58 119.56 1c2p h ASN 527 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 1c2p h ASN 527 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.57 1c2p h ASN 527 CO 0.13 0.00 -0.04 4.11 -0.00 0.00 0.00 177.43 181.64 1c2p h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.82 -2.95 115.95 116.93 1c2p h TRP 528 Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.86 1c2p h TRP 528 Cb 0.01 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.16 1c2p h TRP 528 CO 0.00 0.04 -0.56 0.00 -1.28 0.00 0.00 178.44 176.64 1c2p h ALA 529 N 1.96 0.64 -2.31 0.11 0.00 -1.34 -3.46 119.26 114.86 1c2p h ALA 529 Ca -0.00 -0.51 -0.49 0.00 0.00 0.00 0.00 54.91 53.91 1c2p h ALA 529 Cb 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1c2p h ALA 529 CO 0.00 0.70 -0.01 0.14 0.00 0.00 0.00 179.25 180.08 1c2p s VAL 530 N -2.94 4.96 -0.02 0.00 -7.23 -1.11 -4.82 120.40 109.24 1c2p s VAL 530 Ca 0.04 0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.12 1c2p s VAL 530 Cb 0.08 -3.82 -0.33 0.00 0.56 0.00 0.00 36.38 32.87 1c2p s VAL 530 CO 0.75 -0.62 0.85 0.07 -0.31 0.00 0.00 175.10 175.84 1c2p h LYS 531 N 0.80 0.43 -4.24 4.82 2.10 -1.90 -3.39 116.57 115.19 1c2p h LYS 531 Ca -0.48 -0.73 -0.76 0.00 -2.00 0.00 0.00 60.65 56.68 1c2p h LYS 531 Cb 1.20 0.27 -0.23 0.00 -0.90 0.00 0.00 32.23 32.57 1c2p h LYS 531 CO 0.63 1.35 0.34 0.99 -2.00 0.00 0.00 179.45 180.75 1c2p s THR 532 N -2.55 5.31 0.78 0.07 2.01 -1.26 -5.03 115.64 114.98 1c2p s THR 532 Ca -0.13 -2.14 -0.14 0.00 0.31 0.00 0.00 61.69 59.58 1c2p s THR 532 Cb 0.04 -4.57 0.04 0.00 0.01 0.00 0.00 72.50 68.02 1c2p s THR 532 CO 0.88 -1.19 0.99 0.29 -0.69 0.00 0.00 174.62 174.91 1c2p n LYS 533 N 4.87 0.26 -1.82 4.92 4.01 -1.26 -5.05 118.16 124.08 1c2p n LYS 533 Ca 0.16 0.15 -0.10 0.00 -0.51 0.00 0.00 58.31 58.02 1c2p n LYS 533 Cb 0.48 -2.26 0.04 0.00 -0.51 0.00 0.00 35.03 32.78 1c2p n LYS 533 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1c2p n LEU 534 N -2.28 0.00 0.04 -0.35 4.32 -1.26 -5.08 117.00 112.39 1c2p n LEU 534 Ca 0.12 -1.16 -0.01 0.00 -0.02 0.00 0.00 56.01 54.94 1c2p n LEU 534 Cb 0.50 -0.25 -0.01 0.00 -1.62 0.00 0.00 43.42 42.05 1c2p n LEU 534 CO 0.49 -0.65 0.44 0.07 -1.22 0.00 0.00 177.39 176.51 1c2p h LYS 535 N 0.00 -0.09 -4.20 3.23 2.10 -1.98 -3.50 116.57 112.13 1c2p h LYS 535 Ca -0.14 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1c2p h LYS 535 Cb 0.61 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1c2p h LYS 535 CO 0.18 -0.06 -0.44 1.28 -2.00 0.00 0.00 179.45 178.41 1c2p n LEU 536 N -2.29 -5.29 -4.75 7.07 4.32 -1.26 -5.09 117.00 109.71 1c2p n LEU 536 Ca -0.01 0.60 -0.23 0.00 -0.02 0.00 0.00 56.01 56.34 1c2p n LEU 536 Cb 0.04 -2.30 -0.06 0.00 -1.62 0.00 0.00 43.42 39.48 1c2p n LEU 536 CO 0.03 -1.59 -0.17 0.42 -1.22 0.00 0.00 177.39 174.86 1c2p s THR 537 N -1.28 2.90 0.15 -5.08 -4.23 -1.26 -5.07 115.64 101.76 1c2p s THR 537 Ca 0.05 -1.65 -0.33 0.00 -1.18 0.00 0.00 61.69 58.58 1c2p s THR 537 Cb -0.02 -2.99 -0.12 0.00 1.34 0.00 0.00 72.50 70.71 1c2p s THR 537 CO 0.43 -0.14 1.70 -2.65 -0.54 0.00 0.00 174.62 173.42 1c2p n PRO 538 N -1.21 2.48 -2.58 3.99 -0.02 -1.26 -4.93 135.00 131.48 1c2p n PRO 538 Ca -0.02 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 61.93 1c2p n PRO 538 Cb 0.62 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1c2p n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1c2p s ILE 539 N 1.64 4.52 0.16 4.25 1.01 -1.26 -4.96 121.20 126.56 1c2p s ILE 539 Ca 0.79 1.82 -0.22 0.00 0.00 0.00 0.00 60.65 63.05 1c2p s ILE 539 Cb -0.58 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 37.72 1c2p s ILE 539 CO 0.37 -0.22 1.61 -0.65 0.00 0.00 0.00 174.94 176.05 1c2p h PRO 540 N 7.83 -0.22 0.00 2.79 0.11 -2.04 -1.83 132.00 138.65 1c2p h PRO 540 Ca -0.22 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1c2p h PRO 540 Cb 1.07 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1c2p h PRO 540 CO 0.99 -0.14 0.13 0.00 -0.21 0.00 0.00 178.00 178.76 1c2p h ALA 541 N 0.86 1.12 -0.70 -0.75 0.00 -2.03 -3.01 119.26 114.76 1c2p h ALA 541 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1c2p h ALA 541 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1c2p h ALA 541 CO -0.50 -0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.01 1c2p h ALA 542 N 1.73 0.95 0.00 0.00 0.00 -1.67 -2.00 119.26 118.27 1c2p h ALA 542 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c2p h ALA 542 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1c2p h ALA 542 CO 0.00 0.05 -0.00 0.66 0.00 0.00 0.00 179.25 179.96 1c2p h SER 543 N 0.70 0.00 0.44 0.00 4.64 -1.72 -2.43 113.55 115.18 1c2p h SER 543 Ca 0.32 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 1c2p h SER 543 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1c2p h SER 543 CO -0.20 0.00 -0.29 1.56 -0.87 0.00 0.00 176.83 177.04 1c2p h GLN 544 N 0.00 0.00 -6.36 4.77 4.20 -1.57 -3.45 115.11 112.70 1c2p h GLN 544 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1c2p h GLN 544 Cb 0.01 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.81 1c2p h GLN 544 CO 0.00 0.29 1.19 1.28 -0.67 0.00 0.00 178.83 180.92 1c2p n LEU 545 N -3.89 4.02 -4.54 1.46 4.77 -0.92 -4.91 117.00 112.99 1c2p n LEU 545 Ca -0.02 0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 56.47 1c2p n LEU 545 Cb 0.36 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1c2p n LEU 545 CO 0.36 0.15 1.45 -0.62 -1.33 0.00 0.00 177.39 177.40 1c2p s ASP 546 N 4.16 6.56 0.00 -1.43 -1.08 -1.26 -4.75 116.67 118.88 1c2p s ASP 546 Ca 0.89 -1.67 0.21 0.00 -0.52 0.00 0.00 52.55 51.45 1c2p s ASP 546 Cb -0.49 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 38.97 1c2p s ASP 546 CO 0.43 -1.39 1.46 0.18 0.52 0.00 0.00 175.17 176.37 1c2p n LEU 547 N 8.42 3.25 -4.61 -1.34 4.32 -1.26 -4.87 117.00 120.91 1c2p n LEU 547 Ca 0.33 -1.55 -0.43 0.00 -0.02 0.00 0.00 56.01 54.35 1c2p n LEU 547 Cb 0.50 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.93 1c2p n LEU 547 CO 0.65 0.77 1.15 -0.94 -1.22 0.00 0.00 177.39 177.80 1c2p s SER 548 N -1.18 6.50 0.00 -1.43 1.04 -1.26 -2.33 113.70 115.04 1c2p s SER 548 Ca 0.40 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1c2p s SER 548 Cb 0.22 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1c2p s SER 548 CO 0.29 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1c2p n GLY 549 N 4.84 1.35 0.11 7.32 0.00 -1.26 -5.01 105.19 112.54 1c2p n GLY 549 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1c2p n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1c2p h TRP 550 N 0.00 0.29 -2.18 1.61 4.06 -1.82 -3.37 115.95 114.55 1c2p h TRP 550 Ca 0.00 -0.07 -0.59 0.00 2.06 0.00 0.00 58.89 60.29 1c2p h TRP 550 Cb 0.00 -0.07 -0.42 0.00 -1.00 0.00 0.00 29.16 27.67 1c2p h TRP 550 CO 0.00 0.58 -0.66 1.19 -3.56 0.00 0.00 178.44 175.99 1c2p n PHE 551 N -4.70 3.23 -0.03 0.49 3.72 -1.26 -4.78 117.46 114.13 1c2p n PHE 551 Ca -0.06 -4.08 -0.07 0.00 -0.05 0.00 0.00 57.45 53.19 1c2p n PHE 551 Cb 0.27 -0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 1c2p n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1c2p n VAL 552 N 0.81 0.58 -3.90 -4.37 0.31 -1.16 -4.30 118.33 106.31 1c2p n VAL 552 Ca 0.29 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.52 1c2p n VAL 552 Cb 0.42 -1.64 -0.07 0.00 -0.91 0.00 0.00 33.84 31.65 1c2p n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1c2p s ALA 553 N -2.15 -0.17 0.20 3.52 0.00 -1.25 -3.78 121.76 118.13 1c2p s ALA 553 Ca -0.09 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 1c2p s ALA 553 Cb 0.03 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.84 1c2p s ALA 553 CO 0.12 -0.62 0.52 0.20 0.00 0.00 0.00 175.76 175.98 1c2p s GLY 554 N -2.93 2.30 -0.01 0.00 0.00 -1.26 -4.97 107.32 100.46 1c2p s GLY 554 Ca 0.13 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.61 1c2p s GLY 554 CO -0.04 -0.14 1.04 -1.72 0.00 0.00 0.00 173.10 172.24 1c2p n TYR 555 N 0.06 0.00 -1.70 1.90 4.01 -0.20 -4.61 117.16 116.61 1c2p n TYR 555 Ca -0.01 -0.13 -0.56 0.00 -0.16 0.00 0.00 57.90 57.04 1c2p n TYR 555 Cb 0.52 -0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.41 1c2p n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1c2p n SER 556 N 0.02 2.51 0.00 7.72 2.88 -1.24 0.60 113.62 126.11 1c2p n SER 556 Ca 0.02 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1c2p n SER 556 Cb 0.77 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1c2p n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c2p n GLY 557 N 4.10 1.77 0.08 0.46 0.00 -1.26 -4.23 105.19 106.12 1c2p n GLY 557 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.33 1c2p n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2p n GLY 558 N -2.00 -0.81 3.83 -0.02 0.00 0.20 -3.21 105.19 103.18 1c2p n GLY 558 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1c2p n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c2p n ASP 559 N -0.52 -2.81 -4.66 1.61 2.03 -1.26 -4.57 116.55 106.37 1c2p n ASP 559 Ca 0.08 -0.82 -0.35 0.00 0.52 0.00 0.00 54.79 54.23 1c2p n ASP 559 Cb 0.07 -3.87 -0.10 0.00 -0.72 0.00 0.00 41.12 36.50 1c2p n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1c2p s ILE 560 N -3.52 4.26 0.06 5.18 -1.09 -1.26 -4.34 121.20 120.48 1c2p s ILE 560 Ca 0.32 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.51 1c2p s ILE 560 Cb -0.16 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 1c2p s ILE 560 CO 0.83 0.59 -0.10 -0.47 -1.23 0.00 0.00 174.94 174.56 1c2p s TYR 561 N -0.76 0.92 -0.08 3.97 5.04 0.07 -0.79 117.35 125.73 1c2p s TYR 561 Ca 0.12 -0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 54.18 1c2p s TYR 561 Cb -0.11 -0.53 0.02 0.00 0.35 0.00 0.00 41.96 41.69 1c2p s TYR 561 CO 0.02 -0.02 0.20 -1.01 -1.34 0.00 0.00 175.55 173.40 1c2p s HIS 562 N -1.47 -0.22 0.00 4.97 3.76 0.38 -4.64 115.29 118.07 1c2p s HIS 562 Ca -0.05 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1c2p s HIS 562 Cb -0.09 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.67 1c2p s HIS 562 CO 0.01 -0.11 0.00 -1.13 -0.85 0.00 0.00 174.74 172.66