#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yiv n ASN 2 N 0.00 0.47 -0.04 -3.46 2.04 -1.26 -2.00 115.26 111.01 1yiv n ASN 2 Ca 0.00 0.67 0.21 0.00 -0.44 0.00 0.00 54.58 55.02 1yiv n ASN 2 Cb 0.00 -0.75 0.67 0.00 -2.53 0.00 0.00 39.78 37.18 1yiv n ASN 2 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 1yiv h LYS 3 N 0.00 0.04 -0.00 -3.83 1.57 -2.04 -2.76 116.57 109.55 1yiv h LYS 3 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yiv h LYS 3 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1yiv h LYS 3 CO 0.00 0.03 -0.51 1.19 -0.57 0.00 0.00 179.45 179.59 1yiv n PHE 4 N -4.38 0.00 -2.03 -1.35 3.72 -0.85 -4.96 117.46 107.62 1yiv n PHE 4 Ca 0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 1yiv n PHE 4 Cb 0.64 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1yiv n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1yiv s LEU 5 N -2.78 4.39 0.00 4.37 1.43 -1.05 -4.66 118.68 120.39 1yiv s LEU 5 Ca 0.16 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 1yiv s LEU 5 Cb 0.18 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1yiv s LEU 5 CO 0.66 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1yiv n GLY 6 N 0.70 0.85 3.25 -3.19 0.00 -0.54 -4.95 105.19 101.31 1yiv n GLY 6 Ca 0.00 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 1yiv n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yiv s THR 7 N -2.50 2.09 -0.07 2.61 2.01 -1.26 -0.73 115.64 117.79 1yiv s THR 7 Ca 0.00 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1yiv s THR 7 Cb 0.00 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1yiv s THR 7 CO 0.00 0.56 -0.09 0.26 -0.69 0.00 0.00 174.62 174.66 1yiv s TRP 8 N 0.10 1.28 -0.11 4.92 0.52 0.07 -1.53 118.94 124.19 1yiv s TRP 8 Ca -0.11 -0.48 -0.02 0.00 0.02 0.00 0.00 56.10 55.51 1yiv s TRP 8 Cb -0.16 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.14 1yiv s TRP 8 CO 0.06 -0.29 -0.03 0.21 0.02 0.00 0.00 176.95 176.92 1yiv s LYS 9 N 0.91 3.18 0.11 4.98 2.47 -0.72 -0.69 119.74 129.98 1yiv s LYS 9 Ca -0.10 -0.49 -0.31 0.00 -1.56 0.00 0.00 55.97 53.51 1yiv s LYS 9 Cb -0.15 -2.78 -0.09 0.00 -1.46 0.00 0.00 37.83 33.35 1yiv s LYS 9 CO 0.01 0.52 1.66 -1.17 0.16 0.00 0.00 175.35 176.53 1yiv s LEU 10 N -0.40 4.37 -0.00 5.43 2.96 -0.87 -0.57 118.68 129.60 1yiv s LEU 10 Ca 0.07 2.58 0.02 0.00 -0.22 0.00 0.00 54.13 56.57 1yiv s LEU 10 Cb -0.12 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1yiv s LEU 10 CO 0.02 -0.89 0.07 1.33 -1.32 0.00 0.00 176.35 175.56 1yiv n VAL 11 N 4.48 0.00 -3.62 1.68 0.24 0.09 -4.89 118.33 116.30 1yiv n VAL 11 Ca 0.16 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 1yiv n VAL 11 Cb 0.39 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 33.56 1yiv n VAL 11 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1yiv s SER 12 N -1.42 -0.51 -0.08 -1.34 0.01 -1.14 -4.99 113.70 104.24 1yiv s SER 12 Ca 0.00 0.62 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 1yiv s SER 12 Cb 0.01 0.61 0.03 0.00 0.21 0.00 0.00 66.02 66.88 1yiv s SER 12 CO 0.07 -0.47 0.19 -0.55 0.41 0.00 0.00 173.24 172.89 1yiv s SER 13 N -0.91 -0.19 -0.10 2.44 0.15 -1.26 -1.21 113.70 112.62 1yiv s SER 13 Ca -0.09 0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.95 1yiv s SER 13 Cb -0.02 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1yiv s SER 13 CO 0.06 -0.10 -0.12 -0.70 1.20 0.00 0.00 173.24 173.58 1yiv s GLU 14 N 0.57 1.83 -0.58 5.44 2.12 0.21 -4.90 118.70 123.39 1yiv s GLU 14 Ca -0.04 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1yiv s GLU 14 Cb -0.05 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.70 1yiv s GLU 14 CO -0.03 -0.10 0.00 0.09 -0.54 0.00 0.00 175.26 174.68 1yiv n ASN 15 N 4.30 -2.81 0.10 -1.70 3.02 -1.26 -1.83 115.26 115.08 1yiv n ASN 15 Ca -0.19 0.03 -0.21 0.00 -0.03 0.00 0.00 54.58 54.19 1yiv n ASN 15 Cb 0.51 -1.87 -0.13 0.00 -0.61 0.00 0.00 39.78 37.68 1yiv n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1yiv h PHE 16 N 0.00 0.90 -0.13 3.10 3.57 -1.91 -1.98 116.94 120.50 1yiv h PHE 16 Ca -0.15 -0.58 0.03 0.00 3.53 0.00 0.00 57.97 60.80 1yiv h PHE 16 Cb 0.96 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1yiv h PHE 16 CO 0.17 1.43 -0.09 0.22 -2.23 0.00 0.00 178.31 177.82 1yiv h ASP 17 N 0.23 -0.28 0.05 0.41 3.58 -1.96 0.10 116.42 118.56 1yiv h ASP 17 Ca -0.18 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 1yiv h ASP 17 Cb 1.92 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 43.11 1yiv h ASP 17 CO 0.23 -0.12 -0.15 0.44 -2.88 0.00 0.00 179.24 176.76 1yiv h ASP 18 N -0.09 0.21 0.20 2.28 3.32 -1.98 -0.65 116.42 119.70 1yiv h ASP 18 Ca 0.08 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1yiv h ASP 18 Cb 0.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1yiv h ASP 18 CO -0.18 0.38 -0.10 0.22 -1.72 0.00 0.00 179.24 177.84 1yiv h TYR 19 N 0.21 -0.25 -0.91 4.55 3.20 -0.53 -2.01 116.97 121.22 1yiv h TYR 19 Ca 0.04 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1yiv h TYR 19 Cb 0.40 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1yiv h TYR 19 CO 0.01 0.01 0.55 0.52 -1.64 0.00 0.00 178.16 177.61 1yiv h MET 20 N -0.49 1.23 -0.26 1.82 2.86 -0.80 -2.24 114.93 117.05 1yiv h MET 20 Ca -0.03 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1yiv h MET 20 Cb 0.37 -0.26 -0.08 0.00 0.06 0.00 0.00 31.60 31.70 1yiv h MET 20 CO 0.05 0.86 -0.42 -0.22 1.06 0.00 0.00 176.91 178.23 1yiv h LYS 21 N 1.25 -0.40 0.00 1.72 3.64 -0.99 -1.57 116.57 120.23 1yiv h LYS 21 Ca 0.33 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1yiv h LYS 21 Cb -0.06 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1yiv h LYS 21 CO -0.06 -0.26 -0.01 0.00 -2.27 0.00 0.00 179.45 176.84 1yiv h ALA 22 N 0.27 1.69 -0.00 5.00 0.00 -0.80 0.28 119.26 125.69 1yiv h ALA 22 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yiv h ALA 22 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yiv h ALA 22 CO -0.48 0.01 -0.04 1.28 0.00 0.00 0.00 179.25 180.02 1yiv n LEU 23 N -4.10 0.44 -0.00 0.00 4.77 -0.76 -4.93 117.00 112.41 1yiv n LEU 23 Ca -0.03 -0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1yiv n LEU 23 Cb 0.10 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yiv n LEU 23 CO 0.30 0.08 -0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1yiv n GLY 24 N 1.16 0.38 3.72 -0.72 0.00 0.99 -5.04 105.19 105.69 1yiv n GLY 24 Ca 0.19 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1yiv n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yiv s VAL 25 N -2.00 3.79 0.72 1.61 1.01 -0.67 -5.02 120.40 119.83 1yiv s VAL 25 Ca 0.00 1.34 -0.13 0.00 0.00 0.00 0.00 61.98 63.19 1yiv s VAL 25 Cb 0.00 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1yiv s VAL 25 CO 0.00 0.14 1.11 -0.83 0.00 0.00 0.00 175.10 175.51 1yiv s GLY 26 N 0.79 1.94 0.21 4.51 0.00 -1.26 -4.56 107.32 108.95 1yiv s GLY 26 Ca 0.58 0.44 -0.16 0.00 0.00 0.00 0.00 44.72 45.58 1yiv s GLY 26 CO 0.31 0.79 1.59 -2.00 0.00 0.00 0.00 173.10 173.80 1yiv h LEU 27 N -0.53 -0.96 -0.61 0.66 5.85 -1.98 -0.02 115.31 117.73 1yiv h LEU 27 Ca -0.45 0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 1yiv h LEU 27 Cb 1.24 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 42.78 1yiv h LEU 27 CO 0.52 -0.28 0.08 0.00 -0.34 0.00 0.00 178.44 178.43 1yiv h ALA 28 N 1.39 0.82 -0.52 1.25 0.00 -2.00 0.92 119.26 121.11 1yiv h ALA 28 Ca 0.30 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1yiv h ALA 28 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1yiv h ALA 28 CO -0.75 0.59 -0.16 1.15 0.00 0.00 0.00 179.25 180.09 1yiv h THR 29 N 0.93 1.27 -0.79 0.00 2.02 -1.82 -3.16 112.91 111.36 1yiv h THR 29 Ca 0.18 -1.32 0.07 0.00 0.77 0.00 0.00 66.41 66.11 1yiv h THR 29 Cb 0.46 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 1yiv h THR 29 CO 0.02 0.46 0.47 0.03 0.37 0.00 0.00 175.52 176.87 1yiv h ARG 30 N 0.89 0.81 -0.64 6.66 3.08 -0.12 -0.90 114.38 124.16 1yiv h ARG 30 Ca 0.13 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1yiv h ARG 30 Cb 0.73 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1yiv h ARG 30 CO 0.06 0.54 0.43 0.87 -1.07 0.00 0.00 179.97 180.79 1yiv h LYS 31 N 0.84 0.70 -0.12 0.04 1.57 -0.82 -0.48 116.57 118.30 1yiv h LYS 31 Ca 0.36 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.87 1yiv h LYS 31 Cb 0.23 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1yiv h LYS 31 CO -0.19 0.46 -0.80 -0.07 -0.57 0.00 0.00 179.45 178.28 1yiv h LEU 32 N 0.72 0.90 -1.43 2.94 3.38 -1.47 -2.91 115.31 117.44 1yiv h LEU 32 Ca 0.27 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1yiv h LEU 32 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1yiv h LEU 32 CO -0.08 1.42 -0.11 1.23 0.09 0.00 0.00 178.44 180.99 1yiv h GLY 33 N 0.46 0.25 2.00 0.83 0.00 -0.42 -1.55 103.07 104.65 1yiv h GLY 33 Ca -0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 1yiv h GLY 33 CO 0.16 0.14 -0.81 3.43 0.00 0.00 0.00 176.54 179.46 1yiv h ASN 34 N 0.23 0.00 1.32 0.19 2.35 -1.14 -3.22 115.58 115.31 1yiv h ASN 34 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1yiv h ASN 34 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1yiv h ASN 34 CO 0.02 0.81 0.00 0.18 -1.65 0.00 0.00 177.43 176.79 1yiv n LEU 35 N -3.37 0.74 -4.77 1.61 4.77 -0.82 -4.90 117.00 110.26 1yiv n LEU 35 Ca 0.00 0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 56.16 1yiv n LEU 35 Cb 0.84 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1yiv n LEU 35 CO 0.44 -0.24 1.01 0.00 -1.33 0.00 0.00 177.39 177.28 1yiv s ALA 36 N -3.13 3.52 -0.62 -1.18 0.00 -0.65 -5.00 121.76 114.70 1yiv s ALA 36 Ca 0.10 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.43 1yiv s ALA 36 Cb 0.12 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.93 1yiv s ALA 36 CO 0.56 -0.71 0.52 1.63 0.00 0.00 0.00 175.76 177.75 1yiv n LYS 37 N 0.81 1.60 -1.63 0.00 5.02 -1.26 -5.05 118.16 117.65 1yiv n LYS 37 Ca 0.00 -4.21 -0.30 0.00 -2.02 0.00 0.00 58.31 51.78 1yiv n LYS 37 Cb 0.41 -2.11 0.08 0.00 -0.02 0.00 0.00 35.03 33.39 1yiv n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1yiv s PRO 38 N -1.36 2.36 -0.05 1.97 0.05 -1.26 -4.70 135.00 132.00 1yiv s PRO 38 Ca 0.30 0.64 0.05 0.00 0.05 0.00 0.00 61.00 62.04 1yiv s PRO 38 Cb 0.02 -1.95 -0.02 0.00 0.05 0.00 0.00 34.50 32.60 1yiv s PRO 38 CO -0.14 -1.43 -0.20 0.99 0.05 0.00 0.00 177.00 176.27 1yiv s THR 39 N -3.18 2.57 -0.16 1.26 2.01 -0.38 -2.05 115.64 115.71 1yiv s THR 39 Ca 0.60 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1yiv s THR 39 Cb -0.14 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1yiv s THR 39 CO 0.54 0.58 -0.21 -0.69 -0.69 0.00 0.00 174.62 174.15 1yiv s VAL 40 N -0.42 2.03 -0.24 3.82 1.01 0.13 -0.38 120.40 126.35 1yiv s VAL 40 Ca 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1yiv s VAL 40 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1yiv s VAL 40 CO 0.02 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.99 1yiv s ILE 41 N 1.05 3.28 -0.20 2.22 1.09 0.77 -0.75 121.20 128.66 1yiv s ILE 41 Ca -0.01 -0.68 -0.05 0.00 -1.10 0.00 0.00 60.65 58.81 1yiv s ILE 41 Cb -0.14 -2.56 -0.02 0.00 -1.06 0.00 0.00 42.46 38.67 1yiv s ILE 41 CO -0.07 0.32 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.45 1yiv s ILE 42 N 1.43 3.87 0.23 2.92 1.01 0.09 -1.44 121.20 129.32 1yiv s ILE 42 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1yiv s ILE 42 Cb -0.15 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1yiv s ILE 42 CO -0.03 0.42 0.09 -0.94 0.00 0.00 0.00 174.94 174.48 1yiv s SER 43 N 1.08 0.97 -0.14 3.58 1.04 -0.62 -1.47 113.70 118.14 1yiv s SER 43 Ca 0.02 -1.35 -0.09 0.00 0.48 0.00 0.00 55.95 55.01 1yiv s SER 43 Cb -0.14 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.23 1yiv s SER 43 CO 0.01 -0.73 0.35 -0.75 0.98 0.00 0.00 173.24 173.10 1yiv s LYS 44 N -4.04 0.34 -0.26 4.02 2.20 -1.26 -0.82 119.74 119.91 1yiv s LYS 44 Ca 0.36 0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 56.60 1yiv s LYS 44 Cb 0.07 0.01 0.08 0.00 -1.51 0.00 0.00 37.83 36.48 1yiv s LYS 44 CO 0.12 -0.13 0.03 0.21 -0.36 0.00 0.00 175.35 175.22 1yiv s LYS 45 N 1.02 1.10 7.89 4.03 2.20 -0.74 -5.01 119.74 130.23 1yiv s LYS 45 Ca -0.07 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1yiv s LYS 45 Cb -0.07 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1yiv s LYS 45 CO -0.08 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 1yiv n GLY 46 N 4.76 4.15 1.32 5.54 0.00 -1.26 -1.92 105.19 117.78 1yiv n GLY 46 Ca -0.06 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1yiv n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yiv n ASP 47 N 7.67 4.20 -4.52 1.61 5.68 -1.26 -4.89 116.55 125.04 1yiv n ASP 47 Ca 0.00 -2.31 -0.40 0.00 -0.50 0.00 0.00 54.79 51.58 1yiv n ASP 47 Cb 0.00 -0.50 -0.11 0.00 -1.14 0.00 0.00 41.12 39.37 1yiv n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1yiv s VAL 48 N -1.58 5.17 -0.09 2.12 1.01 -0.81 -4.47 120.40 121.76 1yiv s VAL 48 Ca 0.45 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1yiv s VAL 48 Cb 0.28 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1yiv s VAL 48 CO 0.24 0.05 0.24 -0.63 0.00 0.00 0.00 175.10 175.00 1yiv s ILE 49 N 1.71 5.33 -0.13 2.22 1.01 0.37 -1.79 121.20 129.92 1yiv s ILE 49 Ca 0.06 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.18 1yiv s ILE 49 Cb -0.17 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1yiv s ILE 49 CO 0.10 0.57 -0.20 -0.89 0.00 0.00 0.00 174.94 174.52 1yiv s THR 50 N -0.80 2.30 -0.29 2.92 2.01 -0.00 -0.98 115.64 120.80 1yiv s THR 50 Ca 0.18 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1yiv s THR 50 Cb -0.14 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.48 1yiv s THR 50 CO 0.07 0.54 0.02 -0.63 -0.69 0.00 0.00 174.62 173.93 1yiv s ILE 51 N 0.62 3.31 -0.15 1.82 1.01 -0.19 -1.59 121.20 126.03 1yiv s ILE 51 Ca -0.11 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.40 1yiv s ILE 51 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1yiv s ILE 51 CO 0.03 -0.00 0.00 -0.60 0.00 0.00 0.00 174.94 174.37 1yiv s ARG 52 N 1.35 3.63 -0.18 2.79 3.52 -0.52 -1.76 118.95 127.78 1yiv s ARG 52 Ca -0.02 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 1yiv s ARG 52 Cb -0.18 -2.99 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 1yiv s ARG 52 CO -0.01 0.35 -0.20 0.99 -0.81 0.00 0.00 175.30 175.63 1yiv s THR 53 N 0.11 2.10 -0.08 4.11 2.01 -0.16 -0.16 115.64 123.57 1yiv s THR 53 Ca 0.02 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.11 1yiv s THR 53 Cb -0.13 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1yiv s THR 53 CO 0.02 0.54 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.74 1yiv s GLU 54 N 1.26 2.84 0.25 4.92 2.02 0.49 -0.83 118.70 129.65 1yiv s GLU 54 Ca 0.04 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.25 1yiv s GLU 54 Cb -0.13 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1yiv s GLU 54 CO -0.12 0.47 0.41 -1.54 0.02 0.00 0.00 175.26 174.50 1yiv s SER 55 N -0.32 0.05 0.52 -0.19 1.04 -1.12 -1.25 113.70 112.43 1yiv s SER 55 Ca 0.03 -1.07 0.17 0.00 0.48 0.00 0.00 55.95 55.55 1yiv s SER 55 Cb -0.13 0.56 1.28 0.00 0.10 0.00 0.00 66.02 67.84 1yiv s SER 55 CO 0.02 -1.10 2.15 1.23 0.98 0.00 0.00 173.24 176.52 1yiv h GLY 56 N 2.31 0.00 0.00 7.32 0.00 -1.97 -3.33 103.07 107.40 1yiv h GLY 56 Ca -0.28 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1yiv h GLY 56 CO 0.39 0.00 -1.90 0.69 0.00 0.00 0.00 176.54 175.72 1yiv n PHE 57 N -4.50 0.00 -3.64 5.60 3.72 -1.26 -5.00 117.46 112.38 1yiv n PHE 57 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.27 1yiv n PHE 57 Cb 0.09 -0.57 -0.07 0.00 -0.94 0.00 0.00 39.48 38.00 1yiv n PHE 57 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1yiv s LYS 58 N -2.74 0.65 0.04 -1.08 2.47 -1.25 -5.16 119.74 112.66 1yiv s LYS 58 Ca -0.07 0.88 0.03 0.00 -1.56 0.00 0.00 55.97 55.25 1yiv s LYS 58 Cb 0.07 0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 36.67 1yiv s LYS 58 CO 0.65 -0.10 0.01 -0.80 0.16 0.00 0.00 175.35 175.27 1yiv s ASN 59 N 0.73 5.12 0.07 1.43 0.01 -1.26 -2.78 114.94 118.26 1yiv s ASN 59 Ca -0.02 -0.06 -0.00 0.00 -0.71 0.00 0.00 52.86 52.06 1yiv s ASN 59 Cb -0.05 -1.30 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 1yiv s ASN 59 CO -0.08 0.24 -0.04 0.42 -1.51 0.00 0.00 177.10 176.13 1yiv s THR 60 N -1.19 0.38 -0.20 1.60 -4.23 -0.01 -5.00 115.64 106.99 1yiv s THR 60 Ca 0.22 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.77 1yiv s THR 60 Cb -0.12 -1.61 0.07 0.00 1.34 0.00 0.00 72.50 72.18 1yiv s THR 60 CO 0.14 -0.92 0.49 -0.70 -0.54 0.00 0.00 174.62 173.09 1yiv s GLU 61 N -3.90 0.47 0.01 3.99 2.12 -1.26 -0.99 118.70 119.15 1yiv s GLU 61 Ca 0.10 0.93 0.09 0.00 0.36 0.00 0.00 54.97 56.45 1yiv s GLU 61 Cb 0.07 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.49 1yiv s GLU 61 CO -0.07 -0.16 -0.26 0.96 -0.54 0.00 0.00 175.26 175.18 1yiv s ILE 62 N 1.57 2.09 -0.01 -3.70 -4.36 -0.73 -5.01 121.20 111.06 1yiv s ILE 62 Ca -0.09 -1.25 0.08 0.00 -0.26 0.00 0.00 60.65 59.12 1yiv s ILE 62 Cb -0.08 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.85 1yiv s ILE 62 CO -0.15 0.47 -0.25 -0.44 0.24 0.00 0.00 174.94 174.82 1yiv s SER 63 N -0.93 2.89 0.11 4.36 0.01 -1.26 -1.02 113.70 117.86 1yiv s SER 63 Ca 0.11 -0.46 -0.25 0.00 1.31 0.00 0.00 55.95 56.66 1yiv s SER 63 Cb -0.10 -0.31 0.08 0.00 0.21 0.00 0.00 66.02 65.90 1yiv s SER 63 CO 0.01 0.29 0.67 0.72 0.41 0.00 0.00 173.24 175.33 1yiv s PHE 64 N -0.61 -0.51 -0.12 2.43 -0.12 -0.15 -4.97 117.98 113.94 1yiv s PHE 64 Ca 0.10 0.37 -0.07 0.00 -0.05 0.00 0.00 56.93 57.28 1yiv s PHE 64 Cb -0.09 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1yiv s PHE 64 CO -0.01 -0.77 0.13 0.15 -0.05 0.00 0.00 175.22 174.68 1yiv s LYS 65 N -3.41 3.41 0.24 1.99 1.02 -1.26 -0.47 119.74 121.26 1yiv s LYS 65 Ca 0.01 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 1yiv s LYS 65 Cb -0.01 -3.16 -0.14 0.00 -0.52 0.00 0.00 37.83 33.99 1yiv s LYS 65 CO -0.10 0.77 1.21 1.28 -0.92 0.00 0.00 175.35 177.58 1yiv n LEU 66 N 1.96 2.29 0.00 3.17 4.77 -1.26 -2.95 117.00 124.98 1yiv n LEU 66 Ca -0.20 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1yiv n LEU 66 Cb 0.55 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1yiv n LEU 66 CO 0.31 -1.00 0.00 0.61 -1.33 0.00 0.00 177.39 175.98 1yiv n GLY 67 N 1.70 0.39 3.09 -0.72 0.00 -0.10 -5.00 105.19 104.55 1yiv n GLY 67 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1yiv n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yiv s GLN 68 N -0.50 2.77 0.49 1.61 -0.21 -1.15 -5.01 119.66 117.65 1yiv s GLN 68 Ca 0.00 -0.77 -0.23 0.00 0.02 0.00 0.00 55.36 54.38 1yiv s GLN 68 Cb 0.00 -2.45 -0.07 0.00 1.00 0.00 0.00 33.01 31.49 1yiv s GLN 68 CO 0.00 -0.23 1.34 -2.00 -2.12 0.00 0.00 175.29 172.28 1yiv s GLU 69 N 1.34 3.48 0.01 2.91 2.12 -1.26 -4.68 118.70 122.62 1yiv s GLU 69 Ca 0.05 2.21 -0.07 0.00 0.36 0.00 0.00 54.97 57.51 1yiv s GLU 69 Cb -0.13 -2.45 -0.00 0.00 0.26 0.00 0.00 34.13 31.81 1yiv s GLU 69 CO -0.12 -0.91 0.12 -0.59 -0.54 0.00 0.00 175.26 173.23 1yiv s PHE 70 N -1.30 0.08 0.42 5.30 -0.12 -0.01 -4.96 117.98 117.38 1yiv s PHE 70 Ca 0.66 -0.22 -0.22 0.00 -0.05 0.00 0.00 56.93 57.10 1yiv s PHE 70 Cb -0.39 -0.07 -0.10 0.00 -0.63 0.00 0.00 43.02 41.83 1yiv s PHE 70 CO 0.48 -0.30 0.98 -0.51 -0.05 0.00 0.00 175.22 175.82 1yiv s ASP 71 N -1.53 6.88 -0.18 1.98 -0.00 -1.26 -1.32 116.67 121.23 1yiv s ASP 71 Ca -0.13 1.81 -0.11 0.00 -0.00 0.00 0.00 52.55 54.12 1yiv s ASP 71 Cb -0.07 -2.56 0.06 0.00 -0.00 0.00 0.00 42.92 40.35 1yiv s ASP 71 CO 0.00 -0.40 0.44 -0.70 -0.00 0.00 0.00 175.17 174.51 1yiv s GLU 72 N -2.89 0.44 -0.31 8.23 2.12 -0.44 -4.94 118.70 120.92 1yiv s GLU 72 Ca 0.60 0.79 -0.09 0.00 0.36 0.00 0.00 54.97 56.63 1yiv s GLU 72 Cb -0.14 0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.30 1yiv s GLU 72 CO 0.18 -0.14 0.14 0.99 -0.54 0.00 0.00 175.26 175.90 1yiv s THR 73 N 1.17 4.49 0.90 -1.70 2.01 -1.26 0.25 115.64 121.50 1yiv s THR 73 Ca -0.08 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 1yiv s THR 73 Cb -0.07 -3.31 0.13 0.00 0.01 0.00 0.00 72.50 69.27 1yiv s THR 73 CO -0.10 0.05 1.15 0.42 -0.69 0.00 0.00 174.62 175.45 1yiv s THR 74 N 1.59 1.99 0.42 -0.82 -4.23 0.04 -4.85 115.64 109.77 1yiv s THR 74 Ca 0.04 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.65 1yiv s THR 74 Cb -0.17 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1yiv s THR 74 CO 0.06 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.16 1yiv h ALA 75 N -1.44 1.83 -0.10 3.99 0.00 -1.96 0.23 119.26 121.82 1yiv h ALA 75 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1yiv h ALA 75 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1yiv h ALA 75 CO 0.61 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1yiv n ASP 76 N -4.48 1.95 0.00 0.00 5.75 -1.26 -4.95 116.55 113.56 1yiv n ASP 76 Ca 0.06 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1yiv n ASP 76 Cb 0.18 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1yiv n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1yiv n ASN 77 N 0.51 -1.29 -4.77 -1.12 5.15 0.82 -5.05 115.26 109.52 1yiv n ASN 77 Ca 0.17 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.77 1yiv n ASN 77 Cb 0.41 -0.42 -0.05 0.00 -0.53 0.00 0.00 39.78 39.19 1yiv n ASN 77 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1yiv s ARG 78 N -3.00 4.50 -0.52 1.20 0.52 -1.26 -4.77 118.95 115.62 1yiv s ARG 78 Ca 0.00 1.62 -0.18 0.00 -0.52 0.00 0.00 55.73 56.65 1yiv s ARG 78 Cb 0.00 -2.94 0.08 0.00 0.52 0.00 0.00 34.95 32.61 1yiv s ARG 78 CO 0.00 0.13 0.57 0.15 0.02 0.00 0.00 175.30 176.18 1yiv s LYS 79 N -1.83 3.06 0.33 3.54 3.01 -1.26 -0.78 119.74 125.79 1yiv s LYS 79 Ca 0.49 -1.18 0.10 0.00 -1.01 0.00 0.00 55.97 54.37 1yiv s LYS 79 Cb -0.27 -4.16 -0.06 0.00 -1.01 0.00 0.00 37.83 32.33 1yiv s LYS 79 CO 0.34 -1.26 -0.11 0.00 0.51 0.00 0.00 175.35 174.83 1yiv s ALA 80 N 2.30 2.86 -0.10 5.17 0.00 0.14 -4.70 121.76 127.43 1yiv s ALA 80 Ca 0.10 -2.03 0.03 0.00 0.00 0.00 0.00 51.96 50.06 1yiv s ALA 80 Cb -0.23 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1yiv s ALA 80 CO 0.08 0.11 -0.21 0.15 0.00 0.00 0.00 175.76 175.89 1yiv s LYS 81 N -3.60 2.73 0.17 0.00 1.02 0.65 -1.32 119.74 119.39 1yiv s LYS 81 Ca 0.32 -0.76 0.06 0.00 0.02 0.00 0.00 55.97 55.60 1yiv s LYS 81 Cb 0.01 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.16 1yiv s LYS 81 CO 0.16 0.10 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.45 1yiv s SER 82 N 0.52 2.18 -0.05 2.83 0.01 -0.44 0.01 113.70 118.76 1yiv s SER 82 Ca -0.15 -1.01 -0.02 0.00 1.31 0.00 0.00 55.95 56.07 1yiv s SER 82 Cb -0.17 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.02 1yiv s SER 82 CO 0.06 -0.25 0.11 -0.89 0.41 0.00 0.00 173.24 172.68 1yiv s THR 83 N -3.13 -0.04 -0.10 1.44 2.01 -0.76 -0.83 115.64 114.22 1yiv s THR 83 Ca 0.19 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1yiv s THR 83 Cb 0.01 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1yiv s THR 83 CO 0.04 0.06 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.24 1yiv s VAL 84 N 0.95 3.35 0.24 3.82 1.01 -1.26 -1.38 120.40 127.14 1yiv s VAL 84 Ca -0.08 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1yiv s VAL 84 Cb -0.10 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1yiv s VAL 84 CO -0.04 0.55 -0.01 0.42 0.00 0.00 0.00 175.10 176.02 1yiv s THR 85 N -0.17 1.17 -0.14 3.92 -4.23 0.12 -0.92 115.64 115.39 1yiv s THR 85 Ca 0.01 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1yiv s THR 85 Cb -0.13 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1yiv s THR 85 CO 0.03 -0.31 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.40 1yiv s LEU 86 N -3.34 1.90 -0.31 4.79 2.96 -1.26 -0.76 118.68 122.65 1yiv s LEU 86 Ca 0.29 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1yiv s LEU 86 Cb 0.05 -1.28 0.12 0.00 0.50 0.00 0.00 46.19 45.58 1yiv s LEU 86 CO 0.10 0.02 0.22 0.00 -1.32 0.00 0.00 176.35 175.36 1yiv s ALA 87 N 1.08 0.31 -0.49 5.97 0.00 -0.57 -5.03 121.76 123.02 1yiv s ALA 87 Ca -0.03 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 1yiv s ALA 87 Cb -0.14 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.40 1yiv s ALA 87 CO -0.05 -1.83 0.64 0.00 0.00 0.00 0.00 175.76 174.52 1yiv n ALA 88 N 4.87 -2.65 -1.00 0.00 0.00 -1.26 -3.06 120.51 117.42 1yiv n ALA 88 Ca 0.01 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1yiv n ALA 88 Cb 0.42 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1yiv n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yiv n GLY 89 N -0.45 0.57 2.87 0.00 0.00 -1.26 -5.01 105.19 101.91 1yiv n GLY 89 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1yiv n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yiv s ALA 90 N -2.33 -0.10 -0.26 4.61 0.00 -1.17 -2.29 121.76 120.21 1yiv s ALA 90 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 1yiv s ALA 90 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1yiv s ALA 90 CO 0.00 -0.11 0.09 -0.51 0.00 0.00 0.00 175.76 175.23 1yiv s LEU 91 N 0.86 3.57 -0.13 0.00 1.43 -0.49 -1.52 118.68 122.39 1yiv s LEU 91 Ca -0.07 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1yiv s LEU 91 Cb -0.09 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1yiv s LEU 91 CO -0.03 -0.06 -0.18 0.20 0.23 0.00 0.00 176.35 176.51 1yiv s ASN 92 N 1.63 3.48 -0.11 2.29 0.01 0.06 -1.16 114.94 121.13 1yiv s ASN 92 Ca 0.06 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1yiv s ASN 92 Cb -0.15 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 1yiv s ASN 92 CO 0.05 0.12 -0.16 -1.58 -1.51 0.00 0.00 177.10 174.01 1yiv s GLN 93 N 0.62 3.21 -0.13 -0.60 0.74 0.13 -0.71 119.66 122.92 1yiv s GLN 93 Ca -0.10 -0.74 -0.03 0.00 0.05 0.00 0.00 55.36 54.54 1yiv s GLN 93 Cb -0.16 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.40 1yiv s GLN 93 CO 0.03 0.25 -0.03 0.08 -0.55 0.00 0.00 175.29 175.06 1yiv s VAL 94 N 0.24 3.97 -0.09 1.34 1.01 -0.48 -0.85 120.40 125.54 1yiv s VAL 94 Ca -0.11 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1yiv s VAL 94 Cb -0.16 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1yiv s VAL 94 CO 0.06 0.53 -0.09 -1.58 0.00 0.00 0.00 175.10 174.02 1yiv s GLN 95 N -0.04 1.49 0.02 2.72 0.74 -0.66 -1.83 119.66 122.11 1yiv s GLN 95 Ca 0.02 -0.29 0.07 0.00 0.05 0.00 0.00 55.36 55.21 1yiv s GLN 95 Cb -0.13 -1.41 -0.02 0.00 1.10 0.00 0.00 33.01 32.54 1yiv s GLN 95 CO 0.02 -0.13 -0.22 0.15 -0.55 0.00 0.00 175.29 174.57 1yiv s LYS 96 N 1.21 1.57 -0.16 1.67 1.02 0.10 -1.55 119.74 123.60 1yiv s LYS 96 Ca -0.05 -0.91 -0.16 0.00 0.02 0.00 0.00 55.97 54.88 1yiv s LYS 96 Cb -0.14 -1.63 0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1yiv s LYS 96 CO -0.02 0.43 0.44 1.67 -0.92 0.00 0.00 175.35 176.95 1yiv s TRP 97 N -0.70 -0.48 0.00 3.18 -2.14 -0.78 -0.25 118.94 117.76 1yiv s TRP 97 Ca 0.08 1.16 0.00 0.00 2.66 0.00 0.00 56.10 60.01 1yiv s TRP 97 Cb -0.09 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.45 1yiv s TRP 97 CO 0.01 -0.24 0.00 0.09 -2.66 0.00 0.00 176.95 174.15 1yiv n ASN 98 N 2.77 0.00 -0.67 -2.66 4.13 -1.26 -0.33 115.26 117.24 1yiv n ASN 98 Ca -0.14 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.15 1yiv n ASN 98 Cb 0.57 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.90 1yiv n ASN 98 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yiv n GLY 99 N 0.00 1.18 3.84 7.41 0.00 -1.26 -4.98 105.19 111.38 1yiv n GLY 99 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1yiv n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yiv s ASN 100 N -0.46 5.80 -0.05 1.61 0.01 0.55 -5.13 114.94 117.28 1yiv s ASN 100 Ca 0.13 0.03 -0.03 0.00 -0.71 0.00 0.00 52.86 52.28 1yiv s ASN 100 Cb 0.09 -1.62 0.02 0.00 0.41 0.00 0.00 41.25 40.15 1yiv s ASN 100 CO 0.05 0.12 0.12 -0.70 -1.51 0.00 0.00 177.10 175.18 1yiv s GLU 101 N -2.77 0.11 0.10 -0.60 2.12 -1.26 -1.87 118.70 114.52 1yiv s GLU 101 Ca 0.32 0.23 0.05 0.00 0.36 0.00 0.00 54.97 55.93 1yiv s GLU 101 Cb -0.11 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.20 1yiv s GLU 101 CO 0.25 -0.08 -0.13 -0.08 -0.54 0.00 0.00 175.26 174.68 1yiv s THR 102 N 0.50 1.16 0.02 -1.70 -1.32 -0.60 -4.61 115.64 109.09 1yiv s THR 102 Ca -0.04 -1.54 0.05 0.00 -1.21 0.00 0.00 61.69 58.95 1yiv s THR 102 Cb -0.05 -1.32 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1yiv s THR 102 CO -0.02 -0.37 -0.11 0.42 -2.21 0.00 0.00 174.62 172.33 1yiv s THR 103 N -1.86 3.33 -0.27 5.08 -4.23 -0.64 -1.64 115.64 115.40 1yiv s THR 103 Ca 0.04 -0.95 -0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1yiv s THR 103 Cb -0.06 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.42 1yiv s THR 103 CO 0.02 0.36 0.04 -0.63 -0.54 0.00 0.00 174.62 173.86 1yiv s ILE 104 N -0.98 1.14 -0.28 2.99 1.01 -0.03 -1.28 121.20 123.76 1yiv s ILE 104 Ca 0.16 -1.27 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 1yiv s ILE 104 Cb -0.11 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.69 1yiv s ILE 104 CO 0.07 -0.40 0.07 -0.54 0.00 0.00 0.00 174.94 174.13 1yiv s LYS 105 N 1.53 3.15 -0.35 2.79 1.02 0.05 -0.70 119.74 127.23 1yiv s LYS 105 Ca 0.03 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.06 1yiv s LYS 105 Cb -0.18 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1yiv s LYS 105 CO -0.14 -0.40 0.31 1.03 -0.92 0.00 0.00 175.35 175.22 1yiv s ARG 106 N 1.50 3.47 -0.07 1.68 0.52 -0.31 -0.47 118.95 125.27 1yiv s ARG 106 Ca 0.03 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 1yiv s ARG 106 Cb -0.17 -3.83 -0.01 0.00 0.52 0.00 0.00 34.95 31.46 1yiv s ARG 106 CO 0.02 -0.52 -0.22 0.21 0.02 0.00 0.00 175.30 174.80 1yiv s LYS 107 N 1.88 2.72 -0.09 3.54 2.20 0.36 -1.40 119.74 128.94 1yiv s LYS 107 Ca 0.09 -0.85 -0.22 0.00 -0.36 0.00 0.00 55.97 54.63 1yiv s LYS 107 Cb -0.17 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.85 1yiv s LYS 107 CO 0.11 0.36 0.64 -0.51 -0.36 0.00 0.00 175.35 175.59 1yiv s LEU 108 N -0.09 4.29 -0.14 5.43 1.43 -0.97 0.29 118.68 128.91 1yiv s LEU 108 Ca -0.05 1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 1yiv s LEU 108 Cb -0.14 -2.97 0.05 0.00 0.03 0.00 0.00 46.19 43.16 1yiv s LEU 108 CO 0.04 -0.10 0.04 -0.69 0.23 0.00 0.00 176.35 175.87 1yiv s VAL 109 N 0.87 0.33 0.00 -1.59 1.01 -0.08 -4.96 120.40 115.98 1yiv s VAL 109 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1yiv s VAL 109 Cb -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1yiv s VAL 109 CO 0.15 -0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.66 1yiv n ASP 110 N 5.14 0.00 0.00 3.32 9.92 -1.26 -0.58 116.55 133.09 1yiv n ASP 110 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1yiv n ASP 110 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1yiv n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yiv n GLY 111 N -0.39 0.81 3.31 0.44 0.00 -1.26 -5.03 105.19 103.08 1yiv n GLY 111 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1yiv n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yiv s LYS 112 N -0.02 1.23 -0.22 1.61 1.02 0.25 -1.88 119.74 121.73 1yiv s LYS 112 Ca 0.00 -1.46 -0.01 0.00 0.02 0.00 0.00 55.97 54.53 1yiv s LYS 112 Cb 0.00 -1.08 0.02 0.00 -0.52 0.00 0.00 37.83 36.25 1yiv s LYS 112 CO 0.00 0.19 -0.12 1.41 -0.92 0.00 0.00 175.35 175.92 1yiv s MET 113 N -3.23 2.96 -0.31 1.68 -2.45 -0.32 -0.90 119.30 116.73 1yiv s MET 113 Ca 0.17 -0.87 -0.13 0.00 -1.25 0.00 0.00 55.69 53.61 1yiv s MET 113 Cb -0.03 -2.82 -0.03 0.00 1.25 0.00 0.00 34.83 33.21 1yiv s MET 113 CO 0.05 -0.29 0.25 0.08 1.05 0.00 0.00 175.02 176.16 1yiv s VAL 114 N 1.33 5.27 -0.29 10.11 1.01 0.14 -0.90 120.40 137.06 1yiv s VAL 114 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1yiv s VAL 114 Cb -0.15 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1yiv s VAL 114 CO -0.08 0.10 0.06 -0.69 0.00 0.00 0.00 175.10 174.49 1yiv s VAL 115 N 1.82 3.78 -0.23 2.92 1.01 0.01 -0.48 120.40 129.23 1yiv s VAL 115 Ca 0.08 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1yiv s VAL 115 Cb -0.17 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1yiv s VAL 115 CO 0.11 0.08 0.12 -0.70 0.00 0.00 0.00 175.10 174.71 1yiv s GLU 116 N 1.46 3.98 -0.09 2.72 2.12 0.38 -1.37 118.70 127.91 1yiv s GLU 116 Ca 0.02 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.07 1yiv s GLU 116 Cb -0.17 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1yiv s GLU 116 CO 0.01 0.07 -0.23 0.00 -0.54 0.00 0.00 175.26 174.58 1yiv s LYS 118 N 0.12 0.96 -0.16 0.00 1.02 -0.41 -0.69 119.74 120.58 1yiv s LYS 118 Ca -0.11 -0.18 -0.05 0.00 0.02 0.00 0.00 55.97 55.65 1yiv s LYS 118 Cb -0.16 -0.91 0.06 0.00 -0.52 0.00 0.00 37.83 36.30 1yiv s LYS 118 CO 0.06 -0.03 0.09 1.41 -0.92 0.00 0.00 175.35 175.96 1yiv s MET 119 N 0.75 0.08 3.56 1.68 1.75 -0.83 -1.62 119.30 124.67 1yiv s MET 119 Ca -0.11 -0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.26 1yiv s MET 119 Cb -0.14 -1.78 0.00 0.00 2.84 0.00 0.00 34.83 35.75 1yiv s MET 119 CO 0.01 -0.65 0.00 0.00 -0.65 0.00 0.00 175.02 173.73 1yiv n ALA 120 N 5.27 0.00 1.08 4.11 0.00 -1.26 -1.71 120.51 128.00 1yiv n ALA 120 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1yiv n ALA 120 Cb 0.49 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.06 1yiv n ALA 120 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yiv n SER 121 N 8.74 1.60 -4.70 0.00 3.41 -1.26 -4.92 113.62 116.49 1yiv n SER 121 Ca 0.00 -1.25 -0.38 0.00 -0.26 0.00 0.00 58.87 56.98 1yiv n SER 121 Cb 0.00 0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1yiv n SER 121 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1yiv s VAL 122 N -2.53 5.15 -0.14 -3.33 1.01 -0.70 -5.06 120.40 114.80 1yiv s VAL 122 Ca 0.19 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1yiv s VAL 122 Cb 0.18 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 1yiv s VAL 122 CO 0.58 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 175.08 1yiv s VAL 123 N 1.04 2.57 -0.04 2.92 1.01 -1.26 -1.96 120.40 124.68 1yiv s VAL 123 Ca 0.26 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1yiv s VAL 123 Cb -0.15 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1yiv s VAL 123 CO 0.10 0.53 -0.21 0.00 0.00 0.00 0.00 175.10 175.52 1yiv s THR 125 N -0.53 1.56 -0.10 0.00 2.01 -0.76 -0.78 115.64 117.03 1yiv s THR 125 Ca 0.07 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1yiv s THR 125 Cb -0.11 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1yiv s THR 125 CO 0.01 0.45 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.04 1yiv s ARG 126 N 0.97 2.84 -0.17 4.92 1.81 -0.47 -0.62 118.95 128.24 1yiv s ARG 126 Ca -0.06 -0.80 -0.04 0.00 -1.72 0.00 0.00 55.73 53.10 1yiv s ARG 126 Cb -0.15 -2.20 -0.03 0.00 -0.45 0.00 0.00 34.95 32.13 1yiv s ARG 126 CO -0.02 0.12 -0.02 0.42 -0.68 0.00 0.00 175.30 175.12 1yiv s ILE 127 N 0.49 4.00 0.06 1.52 -1.09 -0.35 -0.81 121.20 125.02 1yiv s ILE 127 Ca -0.16 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.03 1yiv s ILE 127 Cb -0.17 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 1yiv s ILE 127 CO 0.06 0.47 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.74 1yiv s TYR 128 N 0.53 2.51 -0.13 3.97 1.51 -0.08 -0.73 117.35 124.93 1yiv s TYR 128 Ca -0.02 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1yiv s TYR 128 Cb -0.14 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1yiv s TYR 128 CO 0.02 0.26 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.42 1yiv s GLU 129 N -1.54 3.39 0.23 -0.62 2.02 0.26 -1.18 118.70 121.26 1yiv s GLU 129 Ca 0.15 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.21 1yiv s GLU 129 Cb -0.10 -2.71 -0.12 0.00 0.10 0.00 0.00 34.13 31.30 1yiv s GLU 129 CO 0.05 0.28 1.68 0.21 0.02 0.00 0.00 175.26 177.51 1yiv s LYS 130 N 0.20 4.12 0.00 1.61 2.20 -0.78 -1.76 119.74 125.33 1yiv s LYS 130 Ca -0.06 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1yiv s LYS 130 Cb -0.15 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1yiv s LYS 130 CO 0.04 -0.72 0.09 1.33 -0.36 0.00 0.00 175.35 175.74