#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2p h ILE 3 N 0.00 0.19 -3.99 0.58 2.04 -2.05 -3.45 117.51 110.83 1s2p h ILE 3 Ca 0.00 0.00 -0.53 0.00 1.00 0.00 0.00 64.86 65.33 1s2p h ILE 3 Cb 0.00 0.19 0.10 0.00 -0.74 0.00 0.00 36.82 36.37 1s2p h ILE 3 CO 0.00 0.00 0.62 -2.84 0.00 0.00 0.00 178.15 175.93 1s2p s PRO 4 N -5.94 3.69 0.00 2.37 0.02 -1.26 -4.86 135.00 129.02 1s2p s PRO 4 Ca -0.15 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.14 1s2p s PRO 4 Cb 0.12 -2.58 0.37 0.00 0.02 0.00 0.00 34.50 32.43 1s2p s PRO 4 CO 0.66 -0.73 1.24 0.27 -0.33 0.00 0.00 177.00 178.11 1s2p n ASN 5 N -0.29 0.00 -1.23 2.53 0.23 -1.26 -1.48 115.26 113.77 1s2p n ASN 5 Ca 0.06 0.43 0.11 0.00 -0.53 0.00 0.00 54.58 54.66 1s2p n ASN 5 Cb 0.44 -0.46 0.27 0.00 -2.08 0.00 0.00 39.78 37.95 1s2p n ASN 5 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1s2p n PHE 6 N -1.46 0.76 -3.71 -2.53 1.16 -1.26 -4.77 117.46 105.65 1s2p n PHE 6 Ca 0.02 -0.40 -0.38 0.00 -1.87 0.00 0.00 57.45 54.82 1s2p n PHE 6 Cb 0.09 -0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.84 1s2p n PHE 6 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1s2p s VAL 7 N -1.18 4.04 -0.02 1.97 1.01 -0.55 -3.54 120.40 122.13 1s2p s VAL 7 Ca 0.43 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1s2p s VAL 7 Cb 0.23 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1s2p s VAL 7 CO 0.31 -0.12 -0.20 -0.69 0.00 0.00 0.00 175.10 174.40 1s2p s VAL 8 N 1.47 1.61 0.57 2.92 1.01 0.41 -4.80 120.40 123.59 1s2p s VAL 8 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1s2p s VAL 8 Cb -0.19 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1s2p s VAL 8 CO 0.04 0.46 1.24 -2.65 0.00 0.00 0.00 175.10 174.18 1s2p n PRO 9 N 2.68 1.37 0.00 2.72 -0.02 -1.26 -0.87 135.00 139.62 1s2p n PRO 9 Ca -0.16 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1s2p n PRO 9 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1s2p n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s2p n GLY 10 N 0.94 0.13 3.79 -1.23 0.00 -0.38 -4.69 105.19 103.75 1s2p n GLY 10 Ca 0.12 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1s2p n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s2p s LYS 11 N -1.89 3.72 0.30 1.61 2.47 -1.26 -2.60 119.74 122.09 1s2p s LYS 11 Ca 0.00 1.45 -0.27 0.00 -1.56 0.00 0.00 55.97 55.59 1s2p s LYS 11 Cb 0.00 -2.12 -0.14 0.00 -1.46 0.00 0.00 37.83 34.11 1s2p s LYS 11 CO 0.00 -0.52 0.91 0.00 0.16 0.00 0.00 175.35 175.90 1s2p s ALA 13 N -1.11 2.48 -0.03 0.00 0.00 -1.26 -5.01 121.76 116.84 1s2p s ALA 13 Ca 0.60 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 1s2p s ALA 13 Cb -0.71 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 18.90 1s2p s ALA 13 CO 0.59 -1.31 1.14 0.45 0.00 0.00 0.00 175.76 176.64 1s2p s SER 14 N -1.57 7.13 -0.03 0.00 0.15 -1.26 -4.96 113.70 113.16 1s2p s SER 14 Ca 0.79 1.80 0.04 0.00 0.70 0.00 0.00 55.95 59.28 1s2p s SER 14 Cb -0.32 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.49 1s2p s SER 14 CO 0.35 -0.50 0.98 1.33 1.20 0.00 0.00 173.24 176.61 1s2p n VAL 15 N 4.36 1.06 -3.39 4.45 0.24 -1.26 -4.95 118.33 118.84 1s2p n VAL 15 Ca 0.10 -1.15 -0.18 0.00 -2.04 0.00 0.00 64.34 61.07 1s2p n VAL 15 Cb 0.47 0.39 0.07 0.00 -1.47 0.00 0.00 33.84 33.30 1s2p n VAL 15 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1s2p n ASP 16 N -0.64 -4.66 0.08 -1.34 8.00 -1.26 -4.91 116.55 111.81 1s2p n ASP 16 Ca 0.03 -0.73 0.03 0.00 0.71 0.00 0.00 54.79 54.84 1s2p n ASP 16 Cb 0.37 -4.89 0.42 0.00 -0.02 0.00 0.00 41.12 37.00 1s2p n ASP 16 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1s2p h ARG 17 N -1.47 0.36 -0.27 -1.24 3.08 -1.96 -2.99 114.38 109.89 1s2p h ARG 17 Ca -0.61 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.29 1s2p h ARG 17 Cb 1.33 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1s2p h ARG 17 CO 0.47 0.34 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.59 1s2p h ASN 18 N 0.36 0.65 -0.74 7.04 2.35 -1.91 -0.63 115.58 122.70 1s2p h ASN 18 Ca 0.09 -0.45 0.05 0.00 -0.55 0.00 0.00 56.30 55.44 1s2p h ASN 18 Cb 0.15 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 1s2p h ASN 18 CO -0.00 0.97 0.44 0.50 -1.65 0.00 0.00 177.43 177.69 1s2p h LYS 19 N 0.35 0.79 -0.45 0.81 3.64 -1.94 -1.41 116.57 118.37 1s2p h LYS 19 Ca 0.05 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1s2p h LYS 19 Cb 0.76 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1s2p h LYS 19 CO 0.06 0.53 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.59 1s2p h LEU 20 N 0.82 0.87 -0.64 5.20 3.38 -1.36 -1.68 115.31 121.89 1s2p h LEU 20 Ca 0.32 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1s2p h LEU 20 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1s2p h LEU 20 CO -0.16 1.03 0.32 -0.25 0.09 0.00 0.00 178.44 179.46 1s2p h TRP 21 N 0.70 0.92 -0.73 1.13 2.91 -0.94 -0.85 115.95 119.09 1s2p h TRP 21 Ca 0.11 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.12 1s2p h TRP 21 Cb 0.65 -0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 1s2p h TRP 21 CO 0.05 0.69 0.47 0.00 -1.03 0.00 0.00 178.44 178.61 1s2p h ALA 22 N 1.14 0.94 -0.44 2.65 0.00 -0.93 -1.00 119.26 121.62 1s2p h ALA 22 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1s2p h ALA 22 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s2p h ALA 22 CO -0.03 0.28 -0.25 0.93 0.00 0.00 0.00 179.25 180.18 1s2p h GLU 23 N 0.93 0.93 0.00 0.00 5.08 -0.98 -3.38 114.58 117.16 1s2p h GLU 23 Ca 0.28 -0.41 -0.24 0.00 -1.00 0.00 0.00 59.36 58.00 1s2p h GLU 23 Cb -0.03 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1s2p h GLU 23 CO -0.09 1.06 -1.69 1.04 -1.00 0.00 0.00 179.01 178.33 1s2p n GLN 24 N -4.10 0.64 -0.35 2.33 6.02 -0.36 -4.44 117.38 117.12 1s2p n GLN 24 Ca -0.00 0.21 -0.03 0.00 -0.01 0.00 0.00 57.00 57.17 1s2p n GLN 24 Cb 0.47 -1.75 0.10 0.00 1.02 0.00 0.00 30.24 30.07 1s2p n GLN 24 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1s2p h THR 25 N 0.00 1.24 0.00 5.09 2.02 -1.36 -0.95 112.91 118.95 1s2p h THR 25 Ca -0.26 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1s2p h THR 25 Cb 1.83 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1s2p h THR 25 CO 0.06 0.23 0.00 -0.65 0.37 0.00 0.00 175.52 175.53 1s2p h PRO 26 N 1.28 0.00 -0.58 6.66 0.11 -1.81 -3.23 132.00 134.42 1s2p h PRO 26 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1s2p h PRO 26 Cb -0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1s2p h PRO 26 CO -0.07 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.81 1s2p n ASN 27 N -2.70 4.59 -0.36 -2.05 3.02 -0.38 -4.57 115.26 112.82 1s2p n ASN 27 Ca 0.02 -2.50 0.12 0.00 -0.03 0.00 0.00 54.58 52.19 1s2p n ASN 27 Cb 0.32 -0.55 0.30 0.00 -0.61 0.00 0.00 39.78 39.24 1s2p n ASN 27 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1s2p h ARG 28 N 3.66 0.80 -0.64 3.52 2.47 -1.54 -0.16 114.38 122.48 1s2p h ARG 28 Ca 0.00 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.71 1s2p h ARG 28 Cb 1.43 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 29.53 1s2p h ARG 28 CO 0.23 0.53 0.42 -2.95 0.56 0.00 0.00 179.97 178.76 1s2p h ASN 29 N 0.82 0.63 1.04 7.04 -1.07 -1.89 -1.68 115.58 120.47 1s2p h ASN 29 Ca 0.56 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.93 1s2p h ASN 29 Cb 0.81 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 1s2p h ASN 29 CO -0.36 0.43 0.00 -1.20 0.07 0.00 0.00 177.43 176.38 1s2p n SER 30 N -4.46 0.41 0.03 6.14 7.64 -0.09 -2.92 113.62 120.38 1s2p n SER 30 Ca 0.08 0.56 0.13 0.00 1.01 0.00 0.00 58.87 60.64 1s2p n SER 30 Cb 0.15 -0.66 0.32 0.00 -1.01 0.00 0.00 64.21 63.01 1s2p n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s2p n TYR 31 N -1.91 0.30 -1.17 1.43 9.36 -0.64 -4.85 117.16 119.69 1s2p n TYR 31 Ca 0.05 0.09 -0.29 0.00 3.32 0.00 0.00 57.90 61.07 1s2p n TYR 31 Cb 0.32 -0.52 0.20 0.00 -0.63 0.00 0.00 39.34 38.71 1s2p n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s2p s ALA 32 N -3.07 0.86 0.00 2.98 0.00 -1.15 -4.88 121.76 116.50 1s2p s ALA 32 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1s2p s ALA 32 Cb 0.16 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1s2p s ALA 32 CO 0.66 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.74 1s2p n GLY 33 N -1.14 -1.61 3.70 0.00 0.00 0.00 -4.91 105.19 101.22 1s2p n GLY 33 Ca 0.08 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1s2p n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s2p s VAL 34 N 0.00 5.33 -0.10 1.61 1.01 -1.26 -0.47 120.40 126.52 1s2p s VAL 34 Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1s2p s VAL 34 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1s2p s VAL 34 CO 0.00 0.36 -0.23 0.26 0.00 0.00 0.00 175.10 175.49 1s2p s TRP 35 N 0.80 2.46 -0.04 5.22 0.52 -0.02 -4.65 118.94 123.22 1s2p s TRP 35 Ca 0.12 -1.00 -0.10 0.00 0.02 0.00 0.00 56.10 55.14 1s2p s TRP 35 Cb -0.13 -1.65 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 1s2p s TRP 35 CO 0.03 -0.41 0.27 0.71 0.02 0.00 0.00 176.95 177.57 1s2p s TYR 36 N 0.38 3.64 -0.52 -1.98 1.51 0.92 -0.15 117.35 121.13 1s2p s TYR 36 Ca -0.18 0.70 -0.29 0.00 -1.01 0.00 0.00 57.07 56.29 1s2p s TYR 36 Cb -0.18 -2.07 0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1s2p s TYR 36 CO 0.08 0.67 1.17 -1.14 -1.11 0.00 0.00 175.55 175.23 1s2p s GLN 37 N -1.24 3.62 0.04 -0.62 0.74 -0.84 -0.75 119.66 120.62 1s2p s GLN 37 Ca 0.21 0.42 -0.16 0.00 0.05 0.00 0.00 55.36 55.89 1s2p s GLN 37 Cb -0.14 -3.96 -0.31 0.00 1.10 0.00 0.00 33.01 29.70 1s2p s GLN 37 CO 0.10 -1.53 1.06 0.35 -0.55 0.00 0.00 175.29 174.73 1s2p h PHE 38 N 9.41 0.97 -2.78 1.67 3.57 -1.02 -3.42 116.94 125.33 1s2p h PHE 38 Ca -0.24 -0.64 -0.03 0.00 3.53 0.00 0.00 57.97 60.59 1s2p h PHE 38 Cb 1.06 -0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.60 1s2p h PHE 38 CO 1.01 1.48 0.21 0.00 -2.23 0.00 0.00 178.31 178.78 1s2p s ALA 39 N -2.86 -1.64 0.08 2.41 0.00 -1.06 -1.15 121.76 117.54 1s2p s ALA 39 Ca -0.10 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 1s2p s ALA 39 Cb 0.05 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.91 1s2p s ALA 39 CO 0.93 -0.69 0.43 -0.48 0.00 0.00 0.00 175.76 175.95 1s2p s LEU 40 N -2.42 0.32 0.47 0.00 2.34 -0.67 -0.68 118.68 118.03 1s2p s LEU 40 Ca -0.01 -0.11 -0.11 0.00 0.06 0.00 0.00 54.13 53.95 1s2p s LEU 40 Cb -0.01 1.85 -0.06 0.00 -0.56 0.00 0.00 46.19 47.41 1s2p s LEU 40 CO -0.08 -0.76 0.86 0.42 -1.06 0.00 0.00 176.35 175.73 1s2p s THR 41 N -3.05 4.73 -0.36 5.48 -4.23 -0.61 -1.60 115.64 116.00 1s2p s THR 41 Ca -0.02 0.75 -0.42 0.00 -1.18 0.00 0.00 61.69 60.82 1s2p s THR 41 Cb 0.00 -3.77 -0.17 0.00 1.34 0.00 0.00 72.50 69.91 1s2p s THR 41 CO -0.07 -0.70 1.74 -3.20 -0.54 0.00 0.00 174.62 171.85 1s2p n ASN 42 N -1.71 1.96 -3.82 3.99 5.15 -1.26 -4.66 115.26 114.91 1s2p n ASN 42 Ca 0.04 1.07 -0.28 0.00 -0.60 0.00 0.00 54.58 54.81 1s2p n ASN 42 Cb 0.54 -1.05 -0.16 0.00 -0.53 0.00 0.00 39.78 38.57 1s2p n ASN 42 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1s2p s ASN 43 N 3.64 2.82 0.00 1.20 3.84 -1.26 -4.86 114.94 120.32 1s2p s ASN 43 Ca 1.02 -0.71 0.30 0.00 0.21 0.00 0.00 52.86 53.68 1s2p s ASN 43 Cb -1.21 -0.76 1.77 0.00 -0.55 0.00 0.00 41.25 40.50 1s2p s ASN 43 CO 0.70 -0.24 2.12 -0.81 -2.79 0.00 0.00 177.10 176.08 1s2p n PRO 44 N 4.95 0.91 -0.00 0.43 -0.04 -1.26 -3.79 135.00 136.20 1s2p n PRO 44 Ca -0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1s2p n PRO 44 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 1s2p n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s2p n TYR 45 N -1.02 0.00 -2.68 0.54 4.02 -1.26 -4.92 117.16 111.84 1s2p n TYR 45 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.68 1s2p n TYR 45 Cb 0.11 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1s2p n TYR 45 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1s2p s GLN 46 N -2.21 3.66 0.20 -0.72 2.00 -1.25 -4.92 119.66 116.42 1s2p s GLN 46 Ca 0.02 0.44 0.25 0.00 -2.00 0.00 0.00 55.36 54.07 1s2p s GLN 46 Cb 0.08 -3.91 0.67 0.00 0.80 0.00 0.00 33.01 30.65 1s2p s GLN 46 CO 0.45 -1.32 1.65 -0.07 -0.50 0.00 0.00 175.29 175.50 1s2p h LEU 47 N 10.98 0.00 -8.64 3.68 3.38 -1.92 -3.43 115.31 119.36 1s2p h LEU 47 Ca -0.23 -0.05 -0.69 0.00 0.09 0.00 0.00 57.88 57.00 1s2p h LEU 47 Cb 1.07 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 1s2p h LEU 47 CO 1.09 0.03 -0.36 -0.63 0.09 0.00 0.00 178.44 178.66 1s2p s ILE 48 N -3.12 5.21 -0.06 1.22 1.01 -1.26 -3.69 121.20 120.50 1s2p s ILE 48 Ca 0.09 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 1s2p s ILE 48 Cb 0.12 -3.86 -0.30 0.00 0.01 0.00 0.00 42.46 38.43 1s2p s ILE 48 CO 0.63 -0.19 0.84 -0.08 0.00 0.00 0.00 174.94 176.15 1s2p h GLU 49 N 8.56 0.27 -5.54 2.79 4.81 -1.27 -3.47 114.58 120.73 1s2p h GLU 49 Ca -0.29 -0.46 -0.44 0.00 -0.13 0.00 0.00 59.36 58.04 1s2p h GLU 49 Cb 1.14 0.17 -0.19 0.00 0.63 0.00 0.00 28.75 30.50 1s2p h GLU 49 CO 0.70 1.22 -0.77 0.15 -0.73 0.00 0.00 179.01 179.58 1s2p s LYS 50 N -2.42 1.04 -1.34 1.92 1.02 -0.83 -4.59 119.74 114.54 1s2p s LYS 50 Ca -0.15 -1.22 -0.00 0.00 0.02 0.00 0.00 55.97 54.62 1s2p s LYS 50 Cb 0.01 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1s2p s LYS 50 CO 0.81 0.20 0.03 0.00 -0.92 0.00 0.00 175.35 175.47 1s2p s VAL 52 N -2.80 3.38 -0.19 0.00 1.01 -1.26 -4.32 120.40 116.22 1s2p s VAL 52 Ca 0.01 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1s2p s VAL 52 Cb -0.01 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1s2p s VAL 52 CO 0.02 -0.15 -0.11 -0.60 0.00 0.00 0.00 175.10 174.25 1s2p s ARG 53 N 4.98 2.08 -0.30 2.72 3.52 -0.01 -1.98 118.95 129.96 1s2p s ARG 53 Ca 0.82 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 55.57 1s2p s ARG 53 Cb -0.31 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 30.74 1s2p s ARG 53 CO 0.33 -0.40 0.03 -0.80 -0.81 0.00 0.00 175.30 173.66 1s2p s ASN 54 N 1.41 4.93 -0.34 -2.12 0.01 0.78 -0.83 114.94 118.77 1s2p s ASN 54 Ca -0.00 -1.01 -0.12 0.00 -0.71 0.00 0.00 52.86 51.01 1s2p s ASN 54 Cb -0.16 -1.78 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 1s2p s ASN 54 CO -0.09 -0.23 0.22 -0.70 -1.51 0.00 0.00 177.10 174.79 1s2p s GLU 55 N 1.37 3.35 -0.17 -0.60 2.12 0.29 -0.84 118.70 124.21 1s2p s GLU 55 Ca -0.01 -0.74 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 1s2p s GLU 55 Cb -0.18 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.41 1s2p s GLU 55 CO 0.00 -0.49 0.11 0.71 -0.54 0.00 0.00 175.26 175.05 1s2p s TYR 56 N 1.68 3.40 -0.10 5.30 1.51 0.38 -1.27 117.35 128.26 1s2p s TYR 56 Ca 0.05 0.31 0.03 0.00 -1.01 0.00 0.00 57.07 56.45 1s2p s TYR 56 Cb -0.18 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1s2p s TYR 56 CO 0.09 0.36 -0.19 -1.12 -1.11 0.00 0.00 175.55 173.58 1s2p s SER 57 N 0.02 2.59 -0.17 2.29 0.01 -0.28 -0.82 113.70 117.33 1s2p s SER 57 Ca 0.09 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 56.78 1s2p s SER 57 Cb -0.12 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 64.88 1s2p s SER 57 CO -0.00 0.09 0.15 0.12 0.41 0.00 0.00 173.24 174.01 1s2p s PHE 58 N 0.61 3.46 -0.55 2.43 5.36 -1.26 -1.15 117.98 126.88 1s2p s PHE 58 Ca -0.14 0.41 0.06 0.00 -0.96 0.00 0.00 56.93 56.30 1s2p s PHE 58 Cb -0.17 -2.13 0.12 0.00 -0.34 0.00 0.00 43.02 40.51 1s2p s PHE 58 CO 0.04 0.39 1.00 -0.40 -1.46 0.00 0.00 175.22 174.79 1s2p n ASP 59 N 3.15 2.18 0.00 6.13 3.85 -0.46 -4.97 116.55 126.43 1s2p n ASP 59 Ca -0.16 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 1s2p n ASP 59 Cb 0.53 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1s2p n ASP 59 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s2p n GLY 60 N 0.11 2.93 0.02 6.12 0.00 -1.26 -4.79 105.19 108.32 1s2p n GLY 60 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 1s2p n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s2p n LYS 61 N 0.00 1.60 -3.95 1.61 2.85 -1.26 -5.07 118.16 113.93 1s2p n LYS 61 Ca 0.00 -0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.12 1s2p n LYS 61 Cb 0.00 -1.18 -0.02 0.00 -0.65 0.00 0.00 35.03 33.18 1s2p n LYS 61 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1s2p s GLN 62 N -2.35 1.95 -0.06 -1.58 -2.07 -1.26 -4.49 119.66 109.80 1s2p s GLN 62 Ca -0.03 -1.48 0.02 0.00 -1.82 0.00 0.00 55.36 52.04 1s2p s GLN 62 Cb 0.03 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.45 1s2p s GLN 62 CO 0.31 -0.86 -0.09 -0.06 -1.32 0.00 0.00 175.29 173.27 1s2p s PHE 63 N -3.05 2.86 -0.12 9.60 0.40 0.11 -1.36 117.98 126.41 1s2p s PHE 63 Ca 0.22 -0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1s2p s PHE 63 Cb -0.03 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 1s2p s PHE 63 CO 0.14 0.28 0.12 0.08 0.70 0.00 0.00 175.22 176.55 1s2p s VAL 64 N -0.78 5.37 -0.05 -0.44 1.01 -0.30 -1.26 120.40 123.95 1s2p s VAL 64 Ca 0.12 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1s2p s VAL 64 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1s2p s VAL 64 CO 0.01 0.61 -0.15 -0.63 0.00 0.00 0.00 175.10 174.95 1s2p s ILE 65 N -0.98 1.29 -0.31 2.22 1.01 -0.13 -1.13 121.20 123.17 1s2p s ILE 65 Ca 0.15 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1s2p s ILE 65 Cb -0.12 -1.13 0.05 0.00 0.01 0.00 0.00 42.46 41.27 1s2p s ILE 65 CO 0.04 0.38 0.02 -0.54 0.00 0.00 0.00 174.94 174.84 1s2p s LYS 66 N 0.28 2.42 -0.19 2.79 1.02 -0.39 -1.18 119.74 124.50 1s2p s LYS 66 Ca -0.08 -1.29 -0.08 0.00 0.02 0.00 0.00 55.97 54.54 1s2p s LYS 66 Cb -0.13 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1s2p s LYS 66 CO 0.03 -0.65 0.08 -1.12 -0.92 0.00 0.00 175.35 172.77 1s2p s SER 67 N 1.30 5.83 0.13 2.83 0.01 -0.26 -0.55 113.70 123.00 1s2p s SER 67 Ca -0.04 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.37 1s2p s SER 67 Cb -0.20 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1s2p s SER 67 CO -0.01 0.18 -0.02 0.42 0.41 0.00 0.00 173.24 174.23 1s2p s THR 68 N 0.32 0.60 -5.00 1.44 -4.23 -0.01 -0.44 115.64 108.32 1s2p s THR 68 Ca 0.05 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1s2p s THR 68 Cb -0.12 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1s2p s THR 68 CO -0.01 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1s2p n GLY 69 N -0.14 -0.44 3.46 3.99 0.00 -0.90 -0.83 105.19 110.33 1s2p n GLY 69 Ca -0.09 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1s2p n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s2p s ILE 70 N -3.56 4.32 1.14 -0.61 1.01 0.02 -1.39 121.20 122.13 1s2p s ILE 70 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 1s2p s ILE 70 Cb 0.00 -3.01 0.26 0.00 0.01 0.00 0.00 42.46 39.72 1s2p s ILE 70 CO 0.00 0.35 1.07 0.00 0.00 0.00 0.00 174.94 176.35 1s2p s ALA 71 N 1.52 0.33 -0.10 9.38 0.00 0.75 -0.90 121.76 132.75 1s2p s ALA 71 Ca 0.06 -0.55 0.29 0.00 0.00 0.00 0.00 51.96 51.76 1s2p s ALA 71 Cb -0.15 -3.05 1.34 0.00 0.00 0.00 0.00 23.12 21.26 1s2p s ALA 71 CO 0.03 -3.48 1.87 1.88 0.00 0.00 0.00 175.76 176.06 1s2p h TYR 72 N -2.43 0.00 -0.13 0.00 -1.99 -1.88 -1.00 116.97 109.54 1s2p h TYR 72 Ca -0.52 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.21 1s2p h TYR 72 Cb 1.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.05 1s2p h TYR 72 CO -0.80 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 176.96 1s2p n ASP 73 N -2.60 1.98 0.00 3.88 5.75 -1.26 -4.95 116.55 119.36 1s2p n ASP 73 Ca 0.00 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1s2p n ASP 73 Cb 0.19 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1s2p n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s2p n GLY 74 N 1.22 0.96 3.89 6.12 0.00 -0.38 -5.05 105.19 111.95 1s2p n GLY 74 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1s2p n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s2p s ASN 75 N -2.96 6.53 0.42 1.61 0.01 -1.26 -4.78 114.94 114.51 1s2p s ASN 75 Ca 0.00 0.86 -0.26 0.00 -0.71 0.00 0.00 52.86 52.75 1s2p s ASN 75 Cb 0.00 -2.20 -0.10 0.00 0.41 0.00 0.00 41.25 39.36 1s2p s ASN 75 CO 0.00 -0.18 1.40 0.18 -1.51 0.00 0.00 177.10 176.99 1s2p n LEU 76 N -0.69 4.68 -3.82 0.60 7.99 -1.26 -0.18 117.00 124.32 1s2p n LEU 76 Ca -0.00 1.15 -0.12 0.00 -0.01 0.00 0.00 56.01 57.03 1s2p n LEU 76 Cb 0.53 -1.58 -0.13 0.00 -0.11 0.00 0.00 43.42 42.13 1s2p n LEU 76 CO 0.47 -0.21 -0.25 -0.22 -1.51 0.00 0.00 177.39 175.68 1s2p s LEU 77 N -2.18 1.49 -0.06 2.23 2.96 -0.48 -4.79 118.68 117.85 1s2p s LEU 77 Ca 0.59 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 1s2p s LEU 77 Cb -0.48 0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.54 1s2p s LEU 77 CO 0.60 -0.05 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.64 1s2p s LYS 78 N 0.20 2.54 -0.03 1.98 2.20 -1.26 -2.11 119.74 123.26 1s2p s LYS 78 Ca -0.01 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1s2p s LYS 78 Cb -0.02 -2.29 -0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1s2p s LYS 78 CO -0.01 0.51 -0.13 1.03 -0.36 0.00 0.00 175.35 176.39 1s2p s ARG 79 N -0.45 1.34 -0.17 4.03 1.81 0.42 -4.99 118.95 120.94 1s2p s ARG 79 Ca 0.05 -0.45 -0.13 0.00 -1.72 0.00 0.00 55.73 53.48 1s2p s ARG 79 Cb -0.12 -1.21 -0.05 0.00 -0.45 0.00 0.00 34.95 33.13 1s2p s ARG 79 CO 0.02 0.18 0.26 -0.80 -0.68 0.00 0.00 175.30 174.28 1s2p s ASN 80 N 0.09 6.38 0.25 0.23 0.01 -1.26 -1.10 114.94 119.55 1s2p s ASN 80 Ca -0.03 0.44 0.02 0.00 -0.71 0.00 0.00 52.86 52.58 1s2p s ASN 80 Cb -0.10 -2.17 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 1s2p s ASN 80 CO 0.01 0.10 0.07 -0.83 -1.51 0.00 0.00 177.10 174.94 1s2p s GLY 81 N 0.52 1.71 0.02 0.66 0.00 -0.32 -1.70 107.32 108.20 1s2p s GLY 81 Ca 0.15 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1s2p s GLY 81 CO 0.03 -1.62 -0.03 0.54 0.00 0.00 0.00 173.10 172.02 1s2p s LYS 82 N -3.98 0.29 -0.13 2.90 1.02 0.52 -0.96 119.74 119.39 1s2p s LYS 82 Ca 0.35 -0.56 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1s2p s LYS 82 Cb 0.08 0.09 0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1s2p s LYS 82 CO 0.12 -0.04 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.33 1s2p s LEU 83 N -1.34 1.02 0.06 3.17 2.96 -0.39 -1.09 118.68 123.07 1s2p s LEU 83 Ca -0.15 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 1s2p s LEU 83 Cb -0.09 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 1s2p s LEU 83 CO -0.01 -0.22 0.13 -0.72 -1.32 0.00 0.00 176.35 174.22 1s2p s TYR 84 N 1.85 0.21 0.38 5.38 -0.85 -0.73 -0.72 117.35 122.87 1s2p s TYR 84 Ca 0.02 -0.60 -0.27 0.00 -0.52 0.00 0.00 57.07 55.70 1s2p s TYR 84 Cb -0.14 -0.13 -0.11 0.00 0.38 0.00 0.00 41.96 41.96 1s2p s TYR 84 CO -0.07 -0.46 1.33 -2.30 -1.52 0.00 0.00 175.55 172.54 1s2p n PRO 85 N 0.27 2.19 -1.65 -3.49 -0.02 -1.26 0.11 135.00 131.15 1s2p n PRO 85 Ca -0.16 0.77 -0.48 0.00 -2.02 0.00 0.00 63.50 61.61 1s2p n PRO 85 Cb 0.61 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 1s2p n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s2p n ASN 86 N 0.46 2.67 0.27 2.55 2.85 -0.47 -4.62 115.26 118.97 1s2p n ASN 86 Ca 0.05 1.09 0.18 0.00 -0.11 0.00 0.00 54.58 55.79 1s2p n ASN 86 Cb 0.38 -1.35 0.94 0.00 1.24 0.00 0.00 39.78 40.99 1s2p n ASN 86 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s2p h PRO 87 N 5.70 0.00 -0.31 1.20 0.11 -1.91 -1.55 132.00 135.24 1s2p h PRO 87 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s2p h PRO 87 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1s2p h PRO 87 CO 0.86 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.84 1s2p n PHE 88 N -2.80 0.40 -1.15 0.65 3.01 -1.26 -4.92 117.46 111.40 1s2p n PHE 88 Ca -0.02 -0.20 -0.05 0.00 1.01 0.00 0.00 57.45 58.19 1s2p n PHE 88 Cb 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 1s2p n PHE 88 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s2p n GLY 89 N 1.12 0.76 3.78 1.37 0.00 -0.58 -5.04 105.19 106.60 1s2p n GLY 89 Ca 0.14 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1s2p n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s2p s GLU 90 N -2.18 3.37 -0.62 1.61 2.02 -1.26 -4.91 118.70 116.73 1s2p s GLU 90 Ca 0.00 1.57 -0.06 0.00 0.02 0.00 0.00 54.97 56.50 1s2p s GLU 90 Cb 0.00 -2.01 -0.15 0.00 0.10 0.00 0.00 34.13 32.07 1s2p s GLU 90 CO 0.00 -0.83 2.79 -0.35 0.02 0.00 0.00 175.26 176.89 1s2p n PRO 91 N -1.33 2.24 -3.84 0.39 -0.04 -1.26 -4.33 135.00 126.83 1s2p n PRO 91 Ca 0.11 -1.30 -0.09 0.00 -0.04 0.00 0.00 63.50 62.19 1s2p n PRO 91 Cb 0.51 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 1s2p n PRO 91 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1s2p s HIS 92 N 2.04 -0.03 0.24 0.54 -3.43 -1.26 -4.68 115.29 108.72 1s2p s HIS 92 Ca 0.55 -0.36 0.01 0.00 -0.80 0.00 0.00 55.06 54.46 1s2p s HIS 92 Cb 0.20 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.78 1s2p s HIS 92 CO -0.02 -1.05 0.41 -0.51 -2.00 0.00 0.00 174.74 171.57 1s2p s LEU 93 N -2.93 4.21 -0.22 5.38 1.43 -1.17 -1.36 118.68 124.02 1s2p s LEU 93 Ca 0.13 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1s2p s LEU 93 Cb -0.03 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 1s2p s LEU 93 CO 0.04 -0.10 0.09 -0.44 0.23 0.00 0.00 176.35 176.16 1s2p s SER 94 N -3.61 5.54 -0.22 2.29 0.01 0.12 -0.65 113.70 117.18 1s2p s SER 94 Ca 0.37 -0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.48 1s2p s SER 94 Cb -0.10 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 1s2p s SER 94 CO 0.31 0.07 0.26 -0.51 0.41 0.00 0.00 173.24 173.77 1s2p s ILE 95 N 1.02 5.30 -0.07 1.44 1.10 0.34 -1.78 121.20 128.55 1s2p s ILE 95 Ca 0.05 0.41 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 1s2p s ILE 95 Cb -0.14 -3.60 0.02 0.00 0.15 0.00 0.00 42.46 38.90 1s2p s ILE 95 CO 0.03 0.32 -0.06 -0.62 -2.11 0.00 0.00 174.94 172.50 1s2p s ASP 96 N 0.97 1.53 -0.01 4.50 3.68 -0.25 -0.86 116.67 126.22 1s2p s ASP 96 Ca 0.13 -0.19 0.08 0.00 2.13 0.00 0.00 52.55 54.69 1s2p s ASP 96 Cb -0.14 -0.61 -0.02 0.00 -1.45 0.00 0.00 42.92 40.70 1s2p s ASP 96 CO 0.05 -0.08 -0.25 -0.31 0.13 0.00 0.00 175.17 174.71 1s2p s TYR 97 N 1.28 2.23 0.34 -5.34 1.51 -1.17 -0.36 117.35 115.84 1s2p s TYR 97 Ca -0.05 -0.42 -0.28 0.00 -1.01 0.00 0.00 57.07 55.31 1s2p s TYR 97 Cb -0.14 -1.43 -0.12 0.00 -0.11 0.00 0.00 41.96 40.16 1s2p s TYR 97 CO -0.02 -0.03 1.33 -1.91 -1.11 0.00 0.00 175.55 173.81 1s2p n GLU 98 N 2.41 2.21 -2.44 -0.62 2.13 -0.69 -1.85 120.64 121.79 1s2p n GLU 98 Ca -0.16 0.78 -0.21 0.00 0.66 0.00 0.00 57.16 58.23 1s2p n GLU 98 Cb 0.51 -2.39 -0.01 0.00 0.27 0.00 0.00 31.44 29.83 1s2p n GLU 98 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1s2p n ASN 99 N 0.83 -5.92 0.00 4.31 5.03 -1.26 -4.89 115.26 113.37 1s2p n ASN 99 Ca 0.05 -0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1s2p n ASN 99 Cb 0.36 -4.92 0.00 0.00 -1.02 0.00 0.00 39.78 34.21 1s2p n ASN 99 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1s2p n SER 100 N -2.05 0.00 -3.52 6.41 2.88 -0.77 -5.19 113.62 111.39 1s2p n SER 100 Ca -0.24 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.13 1s2p n SER 100 Cb 0.68 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.12 1s2p n SER 100 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1s2p n PHE 101 N 0.00 0.07 -5.18 0.66 -1.74 -1.26 -4.79 117.46 105.22 1s2p n PHE 101 Ca 0.00 -1.36 -0.30 0.00 -0.56 0.00 0.00 57.45 55.23 1s2p n PHE 101 Cb 0.00 -0.21 -0.16 0.00 1.52 0.00 0.00 39.48 40.63 1s2p n PHE 101 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s2p s ALA 102 N -2.47 2.04 0.18 1.98 0.00 -1.26 -3.07 121.76 119.16 1s2p s ALA 102 Ca 0.06 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1s2p s ALA 102 Cb -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1s2p s ALA 102 CO 0.04 0.38 -0.10 0.00 0.00 0.00 0.00 175.76 176.08 1s2p s ALA 103 N -0.10 1.69 0.47 0.00 0.00 -0.04 -4.92 121.76 118.85 1s2p s ALA 103 Ca -0.04 -1.59 -0.24 0.00 0.00 0.00 0.00 51.96 50.09 1s2p s ALA 103 Cb -0.14 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.99 1s2p s ALA 103 CO 0.04 -0.07 1.32 -1.25 0.00 0.00 0.00 175.76 175.79 1s2p s PRO 104 N -3.73 3.61 -0.10 0.00 0.04 -1.26 -0.50 135.00 133.05 1s2p s PRO 104 Ca 0.20 2.16 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 1s2p s PRO 104 Cb 0.02 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 32.09 1s2p s PRO 104 CO 0.04 -0.79 0.08 -1.17 0.04 0.00 0.00 177.00 175.21 1s2p s LEU 105 N -2.95 0.19 -0.09 -3.56 2.96 0.17 -4.30 118.68 111.10 1s2p s LEU 105 Ca 0.64 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1s2p s LEU 105 Cb -0.38 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 1s2p s LEU 105 CO 0.47 -0.29 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.50 1s2p s VAL 106 N 2.17 4.13 -0.53 1.68 1.01 0.39 -3.02 120.40 126.23 1s2p s VAL 106 Ca 0.04 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1s2p s VAL 106 Cb -0.14 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1s2p s VAL 106 CO -0.06 0.59 0.63 -0.63 0.00 0.00 0.00 175.10 175.63 1s2p s ILE 107 N -0.68 4.88 0.32 2.22 1.01 -1.26 -0.90 121.20 126.79 1s2p s ILE 107 Ca 0.11 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1s2p s ILE 107 Cb -0.12 -4.35 0.09 0.00 0.01 0.00 0.00 42.46 38.09 1s2p s ILE 107 CO 0.02 -0.90 1.78 -0.07 0.00 0.00 0.00 174.94 175.77 1s2p h LEU 108 N 9.72 0.30 -7.00 2.97 3.38 -1.24 -3.46 115.31 119.98 1s2p h LEU 108 Ca -0.28 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1s2p h LEU 108 Cb 1.09 -0.08 -0.24 0.00 0.09 0.00 0.00 40.66 41.52 1s2p h LEU 108 CO 1.00 0.57 0.44 -0.70 0.09 0.00 0.00 178.44 179.84 1s2p s GLU 109 N -4.43 0.59 -0.07 1.13 2.12 -1.22 -5.01 118.70 111.82 1s2p s GLU 109 Ca -0.05 0.48 -0.31 0.00 0.36 0.00 0.00 54.97 55.46 1s2p s GLU 109 Cb 0.14 0.29 0.07 0.00 0.26 0.00 0.00 34.13 34.89 1s2p s GLU 109 CO 0.76 -0.12 0.69 -0.08 -0.54 0.00 0.00 175.26 175.98 1s2p s THR 110 N -0.22 0.00 -1.36 -1.70 -1.32 -1.26 -0.28 115.64 109.50 1s2p s THR 110 Ca 0.01 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.61 1s2p s THR 110 Cb -0.03 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.12 1s2p s THR 110 CO -0.02 0.00 1.00 -0.90 -2.21 0.00 0.00 174.62 172.49 1s2p n ASP 111 N 1.04 2.31 0.00 8.08 5.75 -1.08 -5.01 116.55 127.64 1s2p n ASP 111 Ca -0.18 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1s2p n ASP 111 Cb 0.57 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1s2p n ASP 111 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1s2p n TYR 112 N 0.66 0.00 0.26 2.11 4.02 -1.25 -4.53 117.16 118.43 1s2p n TYR 112 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.09 1s2p n TYR 112 Cb 0.34 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 1s2p n TYR 112 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1s2p n SER 113 N 0.79 0.47 0.00 7.72 3.41 -1.26 -4.78 113.62 119.97 1s2p n SER 113 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1s2p n SER 113 Cb 0.00 1.16 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 1s2p n SER 113 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s2p n ASN 114 N -2.23 0.68 -3.95 4.04 4.13 -1.26 -4.76 115.26 111.91 1s2p n ASN 114 Ca -0.01 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.17 1s2p n ASN 114 Cb 0.51 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.66 1s2p n ASN 114 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1s2p s TYR 115 N -1.79 0.30 -0.06 3.10 -0.85 -1.26 -1.31 117.35 115.47 1s2p s TYR 115 Ca 0.00 -0.75 -0.06 0.00 -0.52 0.00 0.00 57.07 55.73 1s2p s TYR 115 Cb 0.00 -0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.16 1s2p s TYR 115 CO 0.00 -0.46 0.17 0.00 -1.52 0.00 0.00 175.55 173.74 1s2p s ALA 116 N -3.70 -0.42 -0.25 9.51 0.00 -0.64 -2.64 121.76 123.62 1s2p s ALA 116 Ca 0.04 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 1s2p s ALA 116 Cb 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1s2p s ALA 116 CO -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 175.76 175.52 1s2p s LEU 118 N 1.34 2.98 -0.08 0.00 1.43 -0.17 -0.65 118.68 123.54 1s2p s LEU 118 Ca 0.00 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1s2p s LEU 118 Cb -0.17 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1s2p s LEU 118 CO -0.04 0.24 0.19 -0.47 0.23 0.00 0.00 176.35 176.50 1s2p s TYR 119 N -1.06 -0.23 0.01 0.29 5.04 -0.08 -1.42 117.35 119.91 1s2p s TYR 119 Ca 0.18 0.57 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1s2p s TYR 119 Cb -0.11 0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.21 1s2p s TYR 119 CO 0.09 -0.15 -0.11 0.45 -1.34 0.00 0.00 175.55 174.49 1s2p s SER 120 N 0.65 1.30 -0.05 4.32 0.15 -0.09 -0.46 113.70 119.52 1s2p s SER 120 Ca -0.05 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.23 1s2p s SER 120 Cb -0.06 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.16 1s2p s SER 120 CO -0.04 0.06 0.17 0.00 1.20 0.00 0.00 173.24 174.64 1s2p s ILE 122 N -0.21 0.84 0.09 0.00 1.09 0.29 -4.77 121.20 118.52 1s2p s ILE 122 Ca -0.03 -0.36 -0.11 0.00 -1.10 0.00 0.00 60.65 59.05 1s2p s ILE 122 Cb -0.03 -0.76 -0.06 0.00 -1.06 0.00 0.00 42.46 40.55 1s2p s ILE 122 CO 0.01 0.27 0.43 -1.81 -0.10 0.00 0.00 174.94 173.74 1s2p s ASP 123 N 0.37 6.70 0.25 3.58 1.01 -1.26 -0.75 116.67 126.57 1s2p s ASP 123 Ca -0.06 0.87 0.06 0.00 0.71 0.00 0.00 52.55 54.13 1s2p s ASP 123 Cb -0.11 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1s2p s ASP 123 CO 0.01 0.17 0.27 -0.31 0.21 0.00 0.00 175.17 175.52 1s2p s TYR 124 N -1.38 3.26 -1.33 4.23 1.51 -0.33 -4.96 117.35 118.35 1s2p s TYR 124 Ca 0.33 -0.07 0.24 0.00 -1.01 0.00 0.00 57.07 56.56 1s2p s TYR 124 Cb -0.14 -1.48 1.18 0.00 -0.11 0.00 0.00 41.96 41.40 1s2p s TYR 124 CO 0.18 0.48 1.80 0.27 -1.11 0.00 0.00 175.55 177.16 1s2p n ASN 125 N -1.29 0.00 -1.39 2.29 0.23 -1.26 -3.26 115.26 110.58 1s2p n ASN 125 Ca -0.08 0.07 0.10 0.00 -0.53 0.00 0.00 54.58 54.13 1s2p n ASN 125 Cb 0.58 -0.33 0.32 0.00 -2.08 0.00 0.00 39.78 38.27 1s2p n ASN 125 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1s2p n PHE 126 N -1.33 1.18 -0.63 -2.53 1.16 -1.26 -4.95 117.46 109.10 1s2p n PHE 126 Ca 0.10 -0.57 0.00 0.00 -1.87 0.00 0.00 57.45 55.11 1s2p n PHE 126 Cb 0.21 -0.13 0.00 0.00 -1.61 0.00 0.00 39.48 37.95 1s2p n PHE 126 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1s2p n GLY 127 N 1.23 0.62 3.71 4.97 0.00 -1.20 -5.03 105.19 109.49 1s2p n GLY 127 Ca 0.24 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1s2p n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s2p s TYR 128 N -2.00 2.18 0.10 1.61 4.12 -1.26 -1.25 117.35 120.86 1s2p s TYR 128 Ca 0.00 -0.80 -0.03 0.00 0.02 0.00 0.00 57.07 56.26 1s2p s TYR 128 Cb 0.00 -1.74 -0.03 0.00 -1.52 0.00 0.00 41.96 38.67 1s2p s TYR 128 CO 0.00 0.26 0.08 -3.38 0.02 0.00 0.00 175.55 172.53 1s2p s HIS 129 N -2.78 0.58 -0.04 2.71 -3.43 -0.05 -1.19 115.29 111.10 1s2p s HIS 129 Ca 0.23 -1.02 0.06 0.00 -0.80 0.00 0.00 55.06 53.53 1s2p s HIS 129 Cb 0.05 -0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 30.86 1s2p s HIS 129 CO 0.12 -0.50 -0.23 -1.12 -2.00 0.00 0.00 174.74 171.00 1s2p s SER 130 N -2.97 2.82 0.13 7.38 0.01 0.07 -0.45 113.70 120.70 1s2p s SER 130 Ca 0.14 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.00 1s2p s SER 130 Cb 0.07 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1s2p s SER 130 CO -0.04 0.26 -0.12 1.51 0.41 0.00 0.00 173.24 175.25 1s2p s ASP 131 N -0.33 1.84 -0.09 2.44 1.47 -1.23 -0.55 116.67 120.22 1s2p s ASP 131 Ca 0.03 -0.88 -0.02 0.00 1.18 0.00 0.00 52.55 52.85 1s2p s ASP 131 Cb -0.11 -0.04 0.04 0.00 -0.34 0.00 0.00 42.92 42.47 1s2p s ASP 131 CO 0.01 -0.23 0.05 -0.36 0.68 0.00 0.00 175.17 175.32 1s2p s PHE 132 N -2.62 0.35 0.18 2.11 0.40 -0.22 -4.92 117.98 113.26 1s2p s PHE 132 Ca 0.11 -0.07 0.11 0.00 -0.60 0.00 0.00 56.93 56.48 1s2p s PHE 132 Cb -0.02 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1s2p s PHE 132 CO 0.02 -0.33 -0.24 -1.12 0.70 0.00 0.00 175.22 174.25 1s2p s SER 133 N 2.08 3.34 -0.02 1.36 0.01 -1.26 -0.92 113.70 118.29 1s2p s SER 133 Ca 0.04 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 56.40 1s2p s SER 133 Cb -0.13 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.86 1s2p s SER 133 CO -0.05 0.12 0.13 -0.36 0.41 0.00 0.00 173.24 173.49 1s2p s PHE 134 N -1.57 -0.02 -0.21 2.43 0.08 -0.51 -1.58 117.98 116.60 1s2p s PHE 134 Ca 0.19 0.05 -0.03 0.00 0.12 0.00 0.00 56.93 57.26 1s2p s PHE 134 Cb -0.08 -0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 1s2p s PHE 134 CO 0.09 -0.20 -0.06 0.42 -0.10 0.00 0.00 175.22 175.37 1s2p s ILE 135 N -0.81 3.23 -0.03 0.64 1.01 0.14 -1.00 121.20 124.39 1s2p s ILE 135 Ca -0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1s2p s ILE 135 Cb -0.05 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1s2p s ILE 135 CO 0.01 0.44 0.09 -0.36 0.00 0.00 0.00 174.94 175.12 1s2p s PHE 136 N 1.34 3.34 0.07 3.97 2.99 0.25 -0.35 117.98 129.59 1s2p s PHE 136 Ca 0.04 0.27 0.05 0.00 0.00 0.00 0.00 56.93 57.29 1s2p s PHE 136 Cb -0.14 -1.78 -0.03 0.00 0.00 0.00 0.00 43.02 41.07 1s2p s PHE 136 CO -0.03 0.58 -0.14 0.45 -0.00 0.00 0.00 175.22 176.08 1s2p s SER 137 N -1.57 1.62 0.05 1.36 0.15 0.07 -1.62 113.70 113.76 1s2p s SER 137 Ca 0.21 -0.59 0.23 0.00 0.70 0.00 0.00 55.95 56.50 1s2p s SER 137 Cb -0.12 -0.05 0.94 0.00 -1.71 0.00 0.00 66.02 65.07 1s2p s SER 137 CO 0.12 -0.07 1.72 0.54 1.20 0.00 0.00 173.24 176.75 1s2p n ARG 138 N 1.37 0.05 -4.46 5.44 5.12 -0.43 -0.06 116.66 123.70 1s2p n ARG 138 Ca -0.21 0.16 -0.22 0.00 -1.93 0.00 0.00 57.85 55.65 1s2p n ARG 138 Cb 0.54 -1.58 -0.10 0.00 -1.16 0.00 0.00 32.46 30.17 1s2p n ARG 138 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s2p s SER 139 N -3.31 2.37 0.25 0.55 1.04 -1.26 -4.80 113.70 108.53 1s2p s SER 139 Ca 0.10 -1.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.06 1s2p s SER 139 Cb 0.14 0.09 0.29 0.00 0.10 0.00 0.00 66.02 66.64 1s2p s SER 139 CO 0.43 -0.70 1.69 0.00 0.98 0.00 0.00 173.24 175.64 1s2p h ALA 140 N 2.05 1.01 -1.41 5.32 0.00 -1.97 -3.43 119.26 120.83 1s2p h ALA 140 Ca -0.39 -0.33 -0.42 0.00 0.00 0.00 0.00 54.91 53.76 1s2p h ALA 140 Cb 1.25 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.91 1s2p h ALA 140 CO 0.66 0.59 -0.25 0.54 0.00 0.00 0.00 179.25 180.79 1s2p s ASN 141 N -6.73 5.63 -0.09 0.00 4.22 -1.26 -4.72 114.94 111.98 1s2p s ASN 141 Ca -0.09 -0.44 -0.04 0.00 -2.14 0.00 0.00 52.86 50.16 1s2p s ASN 141 Cb 0.14 -0.61 0.05 0.00 1.28 0.00 0.00 41.25 42.10 1s2p s ASN 141 CO 0.82 -0.80 0.19 -0.22 -2.04 0.00 0.00 177.10 175.05 1s2p s LEU 142 N -4.37 0.26 0.48 3.54 2.96 -1.26 -4.80 118.68 115.49 1s2p s LEU 142 Ca 0.55 0.40 -0.23 0.00 -0.22 0.00 0.00 54.13 54.63 1s2p s LEU 142 Cb -0.10 0.47 -0.08 0.00 0.50 0.00 0.00 46.19 46.98 1s2p s LEU 142 CO 0.33 -0.19 1.26 0.00 -1.32 0.00 0.00 176.35 176.42 1s2p n ALA 143 N 4.72 1.23 -0.28 5.97 0.00 -1.26 -4.77 120.51 126.12 1s2p n ALA 143 Ca -0.17 0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1s2p n ALA 143 Cb 0.51 -2.27 0.36 0.00 0.00 0.00 0.00 19.45 18.05 1s2p n ALA 143 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s2p h ASP 144 N 1.68 0.68 -0.54 0.00 3.32 -2.00 -0.85 116.42 118.71 1s2p h ASP 144 Ca -0.49 0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.65 1s2p h ASP 144 Cb 1.31 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1s2p h ASP 144 CO 0.58 0.35 0.36 0.06 -1.72 0.00 0.00 179.24 178.86 1s2p h GLN 145 N 0.73 0.52 0.13 3.56 3.07 -1.99 -0.02 115.11 121.10 1s2p h GLN 145 Ca 0.45 -0.03 -0.29 0.00 0.09 0.00 0.00 58.65 58.87 1s2p h GLN 145 Cb 0.69 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.13 1s2p h GLN 145 CO -0.21 0.34 -1.41 1.88 0.09 0.00 0.00 178.83 179.52 1s2p h TYR 146 N 0.53 0.50 -0.76 0.06 0.99 -1.52 -2.60 116.97 114.18 1s2p h TYR 146 Ca 0.23 -0.37 0.07 0.00 2.00 0.00 0.00 58.73 60.66 1s2p h TYR 146 Cb 0.23 -0.02 -0.06 0.00 1.00 0.00 0.00 36.73 37.88 1s2p h TYR 146 CO -0.00 1.35 0.43 0.28 -0.00 0.00 0.00 178.16 180.22 1s2p h VAL 147 N 0.08 0.96 -0.29 -2.88 2.07 -0.99 -2.13 116.25 113.06 1s2p h VAL 147 Ca -0.20 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 1s2p h VAL 147 Cb 2.01 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1s2p h VAL 147 CO 0.19 0.14 -0.22 0.11 0.02 0.00 0.00 177.57 177.81 1s2p h LYS 148 N 0.77 0.54 -0.40 1.57 1.57 -0.99 -1.30 116.57 118.34 1s2p h LYS 148 Ca 0.35 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1s2p h LYS 148 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1s2p h LYS 148 CO -0.21 0.73 0.25 0.87 -0.57 0.00 0.00 179.45 180.52 1s2p h LYS 149 N 0.48 0.54 -0.52 3.15 1.57 -1.00 -1.24 116.57 119.55 1s2p h LYS 149 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1s2p h LYS 149 Cb 0.65 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1s2p h LYS 149 CO 0.05 0.39 0.22 0.00 -0.57 0.00 0.00 179.45 179.53 1s2p h GLU 151 N 0.69 0.62 -0.35 0.00 4.81 -0.94 -0.58 114.58 118.85 1s2p h GLU 151 Ca 0.17 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1s2p h GLU 151 Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1s2p h GLU 151 CO -0.02 0.41 -0.32 0.00 -0.73 0.00 0.00 179.01 178.36 1s2p h ALA 152 N 1.49 0.78 -0.43 2.92 0.00 -0.90 -1.04 119.26 122.07 1s2p h ALA 152 Ca 0.40 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1s2p h ALA 152 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1s2p h ALA 152 CO -0.31 0.65 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 1s2p h ALA 153 N 1.00 0.74 -0.23 0.00 0.00 -0.40 -1.16 119.26 119.20 1s2p h ALA 153 Ca 0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1s2p h ALA 153 Cb 0.85 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1s2p h ALA 153 CO 0.07 0.66 -0.27 0.74 0.00 0.00 0.00 179.25 180.46 1s2p h PHE 154 N 0.78 0.72 -0.83 0.00 -1.00 -1.05 -3.07 116.94 112.49 1s2p h PHE 154 Ca 0.10 -0.23 0.07 0.00 2.81 0.00 0.00 57.97 60.72 1s2p h PHE 154 Cb 0.81 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 40.17 1s2p h PHE 154 CO 0.05 0.94 0.54 0.87 -1.61 0.00 0.00 178.31 179.10 1s2p h LYS 155 N 0.29 0.87 -0.08 1.51 1.57 -1.03 -1.42 116.57 118.28 1s2p h LYS 155 Ca 0.03 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1s2p h LYS 155 Cb 0.84 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1s2p h LYS 155 CO 0.07 0.57 0.09 -0.97 -0.57 0.00 0.00 179.45 178.64 1s2p h ASN 156 N 0.89 0.00 -0.36 0.86 -1.24 -1.11 -0.79 115.58 113.84 1s2p h ASN 156 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 1s2p h ASN 156 Cb 0.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1s2p h ASN 156 CO -0.13 0.00 0.00 2.30 -1.29 0.00 0.00 177.43 178.31 1s2p n ILE 157 N -3.93 2.07 -1.79 2.57 -5.35 -0.61 -4.96 119.36 107.36 1s2p n ILE 157 Ca -0.01 -1.58 -0.12 0.00 -0.27 0.00 0.00 62.75 60.77 1s2p n ILE 157 Cb 0.19 -0.07 -0.03 0.00 -1.74 0.00 0.00 39.64 37.98 1s2p n ILE 157 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1s2p n ASN 158 N 0.02 -4.15 -4.72 7.28 3.02 -0.30 -4.84 115.26 111.57 1s2p n ASN 158 Ca 0.21 0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.50 1s2p n ASN 158 Cb 0.85 -3.03 -0.04 0.00 -0.61 0.00 0.00 39.78 36.95 1s2p n ASN 158 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1s2p s VAL 159 N -2.52 4.95 -0.49 2.41 1.01 -0.77 -4.99 120.40 120.00 1s2p s VAL 159 Ca 0.00 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.42 1s2p s VAL 159 Cb 0.00 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 1s2p s VAL 159 CO 0.00 0.22 1.58 -0.62 0.00 0.00 0.00 175.10 176.28 1s2p s ASP 160 N 0.84 5.95 0.05 3.32 2.15 -1.26 -3.95 116.67 123.78 1s2p s ASP 160 Ca 0.44 0.61 0.19 0.00 0.43 0.00 0.00 52.55 54.22 1s2p s ASP 160 Cb -0.19 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.68 1s2p s ASP 160 CO 0.23 -1.78 1.60 0.35 -0.17 0.00 0.00 175.17 175.39 1s2p n THR 161 N 7.09 0.78 0.39 1.71 -2.24 -1.26 -1.80 114.28 118.95 1s2p n THR 161 Ca 0.17 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.22 1s2p n THR 161 Cb 0.49 -0.92 0.39 0.00 -2.10 0.00 0.00 70.33 68.19 1s2p n THR 161 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1s2p n THR 162 N -1.65 1.00 0.51 4.28 -2.24 -1.26 -2.26 114.28 112.66 1s2p n THR 162 Ca 0.04 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 62.22 1s2p n THR 162 Cb 0.22 -1.16 0.43 0.00 -2.10 0.00 0.00 70.33 67.72 1s2p n THR 162 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s2p n ARG 163 N -1.89 0.12 -2.35 -0.78 1.74 -0.74 -4.83 116.66 107.92 1s2p n ARG 163 Ca 0.02 0.30 -0.40 0.00 -0.77 0.00 0.00 57.85 57.00 1s2p n ARG 163 Cb 0.17 -1.71 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 1s2p n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1s2p s PHE 164 N -3.16 3.40 -0.05 -1.55 0.08 -0.96 -4.24 117.98 111.51 1s2p s PHE 164 Ca 0.07 1.60 0.03 0.00 0.12 0.00 0.00 56.93 58.75 1s2p s PHE 164 Cb 0.11 -3.42 0.01 0.00 -0.57 0.00 0.00 43.02 39.14 1s2p s PHE 164 CO 0.39 -0.99 -0.14 0.08 -0.10 0.00 0.00 175.22 174.46 1s2p s VAL 165 N -1.12 1.23 0.25 -0.44 1.01 -0.63 -4.95 120.40 115.76 1s2p s VAL 165 Ca 0.46 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1s2p s VAL 165 Cb -0.35 -1.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 1s2p s VAL 165 CO 0.45 0.37 1.20 -0.75 0.00 0.00 0.00 175.10 176.36 1s2p s LYS 166 N 0.38 4.51 0.04 2.72 2.20 -1.26 -1.67 119.74 126.65 1s2p s LYS 166 Ca -0.10 1.94 -0.14 0.00 -0.36 0.00 0.00 55.97 57.31 1s2p s LYS 166 Cb -0.14 -3.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1s2p s LYS 166 CO 0.03 -0.01 0.45 0.99 -0.36 0.00 0.00 175.35 176.45 1s2p s THR 167 N -0.69 4.98 0.06 3.43 2.01 -0.30 -4.95 115.64 120.18 1s2p s THR 167 Ca 0.49 0.83 -0.31 0.00 0.31 0.00 0.00 61.69 63.01 1s2p s THR 167 Cb -0.34 -3.73 -0.08 0.00 0.01 0.00 0.00 72.50 68.35 1s2p s THR 167 CO 0.42 0.48 1.71 -0.69 -0.69 0.00 0.00 174.62 175.86 1s2p s VAL 168 N -1.19 3.01 0.20 3.82 1.01 -1.26 -4.88 120.40 121.11 1s2p s VAL 168 Ca 0.28 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1s2p s VAL 168 Cb -0.16 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1s2p s VAL 168 CO 0.16 -0.01 0.18 -1.10 0.00 0.00 0.00 175.10 174.32 1s2p s GLN 169 N 3.00 1.23 0.00 2.72 -1.52 -1.26 0.02 119.66 123.85 1s2p s GLN 169 Ca 0.76 -1.56 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 1s2p s GLN 169 Cb -0.40 0.30 0.00 0.00 -0.22 0.00 0.00 33.01 32.68 1s2p s GLN 169 CO 0.34 -0.42 0.00 0.41 -0.25 0.00 0.00 175.29 175.37 1s2p n GLY 170 N -0.27 -0.01 0.32 3.09 0.00 -1.26 -4.70 105.19 102.36 1s2p n GLY 170 Ca 0.01 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.17 1s2p n GLY 170 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s2p h SER 171 N 0.00 0.21 0.39 1.61 4.64 -2.01 -1.19 113.55 117.20 1s2p h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s2p h SER 171 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1s2p h SER 171 CO 0.00 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 1s2p n SER 172 N -4.47 0.00 -4.74 4.97 3.41 -1.26 -4.82 113.62 106.71 1s2p n SER 172 Ca 0.05 -0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.26 1s2p n SER 172 Cb 0.28 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1s2p n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s2p n PRO 174 N 3.41 4.03 -0.16 0.00 -0.04 -1.26 -4.71 135.00 136.28 1s2p n PRO 174 Ca -0.10 -2.75 0.06 0.00 -0.04 0.00 0.00 63.50 60.67 1s2p n PRO 174 Cb 0.52 -2.75 0.36 0.00 -0.04 0.00 0.00 33.50 31.59 1s2p n PRO 174 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s2p h TYR 175 N 4.89 0.73 -0.31 0.54 0.99 -1.94 -1.29 116.97 120.59 1s2p h TYR 175 Ca 0.79 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 61.46 1s2p h TYR 175 Cb 0.31 -0.24 -0.02 0.00 1.00 0.00 0.00 36.73 37.78 1s2p h TYR 175 CO 1.75 0.40 -0.14 -0.44 -0.00 0.00 0.00 178.16 179.72 1s2p h ASP 176 N 0.73 0.52 -0.20 3.88 3.45 -2.01 -1.64 116.42 121.16 1s2p h ASP 176 Ca 0.29 -0.14 -0.12 0.00 0.43 0.00 0.00 57.03 57.49 1s2p h ASP 176 Cb 0.21 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1s2p h ASP 176 CO -0.09 0.69 -0.34 0.74 -1.57 0.00 0.00 179.24 178.67 1s2p h THR 177 N 0.49 1.33 -1.00 0.35 2.02 -1.80 -3.23 112.91 111.07 1s2p h THR 177 Ca 0.09 -1.57 0.19 0.00 0.77 0.00 0.00 66.41 65.89 1s2p h THR 177 Cb 0.53 1.85 -0.10 0.00 -1.74 0.00 0.00 68.15 68.70 1s2p h THR 177 CO 0.03 0.48 0.61 1.56 0.37 0.00 0.00 175.52 178.58 1s2p h GLN 178 N 0.25 0.71 0.00 6.66 4.20 -0.49 0.05 115.11 126.50 1s2p h GLN 178 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1s2p h GLN 178 Cb 0.93 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1s2p h GLN 178 CO 0.08 0.47 0.00 0.36 -0.67 0.00 0.00 178.83 179.07 1s2p n LYS 179 N -4.73 0.16 -0.03 1.46 2.85 -0.69 -2.51 118.16 114.67 1s2p n LYS 179 Ca 0.23 0.37 0.08 0.00 -1.05 0.00 0.00 58.31 57.94 1s2p n LYS 179 Cb 0.58 -1.79 0.42 0.00 -0.65 0.00 0.00 35.03 33.59 1s2p n LYS 179 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1s2p n THR 180 N -2.09 0.08 1.16 0.58 -2.24 0.00 -5.13 114.28 106.64 1s2p n THR 180 Ca 0.03 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1s2p n THR 180 Cb 0.23 -0.05 0.24 0.00 -2.10 0.00 0.00 70.33 68.65 1s2p n THR 180 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68