#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4t s GLY 2 N 0.00 -1.56 0.54 0.62 0.00 -1.26 -5.17 107.32 100.49 1p4t s GLY 2 Ca 0.00 1.41 -0.17 0.00 0.00 0.00 0.00 44.72 45.96 1p4t s GLY 2 CO 0.00 4.37 1.03 0.00 0.00 0.00 0.00 173.10 178.50 1p4t s ALA 3 N 2.00 2.87 0.32 3.20 0.00 -1.26 -4.79 121.76 124.11 1p4t s ALA 3 Ca 0.15 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1p4t s ALA 3 Cb 0.04 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1p4t s ALA 3 CO -0.16 -0.51 0.69 -1.54 0.00 0.00 0.00 175.76 174.24 1p4t s SER 4 N -2.70 -0.01 -1.15 0.00 1.04 -0.68 -4.98 113.70 105.21 1p4t s SER 4 Ca 0.63 -0.95 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 1p4t s SER 4 Cb -0.14 0.75 0.09 0.00 0.10 0.00 0.00 66.02 66.83 1p4t s SER 4 CO 0.31 -1.45 0.40 0.61 0.98 0.00 0.00 173.24 174.09 1p4t n GLY 5 N -0.49 -0.47 2.64 7.32 0.00 -1.26 -1.48 105.19 111.45 1p4t n GLY 5 Ca -0.05 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1p4t n GLY 5 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p4t n PHE 6 N -3.66 -1.01 -3.64 1.61 3.01 -1.26 -4.29 117.46 108.22 1p4t n PHE 6 Ca 0.01 0.63 -0.09 0.00 1.01 0.00 0.00 57.45 59.02 1p4t n PHE 6 Cb 0.51 -1.48 -0.02 0.00 -0.01 0.00 0.00 39.48 38.49 1p4t n PHE 6 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 1p4t s TYR 7 N -1.05 -0.34 0.09 1.38 1.13 -0.26 -2.27 117.35 116.04 1p4t s TYR 7 Ca 0.49 0.02 0.07 0.00 -1.41 0.00 0.00 57.07 56.23 1p4t s TYR 7 Cb -0.62 0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1p4t s TYR 7 CO 0.47 -0.99 -0.18 0.14 -2.51 0.00 0.00 175.55 172.48 1p4t s VAL 8 N -3.74 1.44 -0.04 -3.49 -7.23 -0.97 -1.11 120.40 105.26 1p4t s VAL 8 Ca 0.07 -1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1p4t s VAL 8 Cb -0.03 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.55 1p4t s VAL 8 CO -0.03 -0.16 0.13 -1.58 -0.31 0.00 0.00 175.10 173.15 1p4t s GLN 9 N -1.93 0.21 -0.06 4.82 0.74 -0.31 -1.24 119.66 121.88 1p4t s GLN 9 Ca 0.04 0.09 0.03 0.00 0.05 0.00 0.00 55.36 55.57 1p4t s GLN 9 Cb -0.09 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.12 1p4t s GLN 9 CO 0.03 -0.03 -0.17 0.00 -0.55 0.00 0.00 175.29 174.58 1p4t s ALA 10 N -0.16 1.55 0.07 1.58 0.00 -0.80 -0.80 121.76 123.20 1p4t s ALA 10 Ca -0.02 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1p4t s ALA 10 Cb -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1p4t s ALA 10 CO 0.00 0.21 -0.16 -0.51 0.00 0.00 0.00 175.76 175.30 1p4t s ASP 11 N 0.37 1.94 -0.03 0.00 1.01 -0.68 -1.74 116.67 117.54 1p4t s ASP 11 Ca -0.12 -0.61 0.01 0.00 0.71 0.00 0.00 52.55 52.55 1p4t s ASP 11 Cb -0.15 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 1p4t s ASP 11 CO 0.04 -0.01 -0.05 0.00 0.21 0.00 0.00 175.17 175.37 1p4t s ALA 12 N -1.16 3.09 -0.07 5.23 0.00 -0.78 -1.57 121.76 126.51 1p4t s ALA 12 Ca 0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1p4t s ALA 12 Cb -0.10 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.80 1p4t s ALA 12 CO 0.03 0.60 0.17 0.00 0.00 0.00 0.00 175.76 176.56 1p4t s ALA 13 N -0.94 -0.37 -0.08 0.00 0.00 -1.25 -1.89 121.76 117.23 1p4t s ALA 13 Ca 0.16 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 1p4t s ALA 13 Cb -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1p4t s ALA 13 CO 0.05 -0.12 0.70 -1.58 0.00 0.00 0.00 175.76 174.81 1p4t s HIS 14 N 0.64 3.56 0.11 0.00 5.65 -0.36 -0.76 115.29 124.13 1p4t s HIS 14 Ca -0.05 1.23 0.05 0.00 0.25 0.00 0.00 55.06 56.54 1p4t s HIS 14 Cb -0.06 -2.81 -0.04 0.00 -1.18 0.00 0.00 32.58 28.49 1p4t s HIS 14 CO -0.03 0.06 -0.12 0.00 -0.65 0.00 0.00 174.74 174.00 1p4t s ALA 15 N 0.91 1.33 -0.10 1.58 0.00 0.33 -0.60 121.76 125.20 1p4t s ALA 15 Ca 0.37 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1p4t s ALA 15 Cb -0.17 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1p4t s ALA 15 CO 0.17 0.03 -0.09 0.21 0.00 0.00 0.00 175.76 176.08 1p4t s LYS 16 N -2.77 1.62 -0.12 0.00 2.20 0.30 -1.28 119.74 119.69 1p4t s LYS 16 Ca 0.08 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1p4t s LYS 16 Cb -0.04 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.67 1p4t s LYS 16 CO 0.02 -0.19 0.03 0.00 -0.36 0.00 0.00 175.35 174.85 1p4t s ALA 17 N 1.44 3.38 0.22 3.13 0.00 -0.32 -1.27 121.76 128.33 1p4t s ALA 17 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1p4t s ALA 17 Cb -0.13 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 1p4t s ALA 17 CO -0.06 0.45 0.00 -1.12 0.00 0.00 0.00 175.76 175.04 1p4t s SER 18 N -0.46 1.61 0.14 0.00 0.01 0.23 -1.16 113.70 114.06 1p4t s SER 18 Ca 0.09 -1.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.06 1p4t s SER 18 Cb -0.12 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.19 1p4t s SER 18 CO 0.02 -0.54 0.36 -1.54 0.41 0.00 0.00 173.24 171.94 1p4t n SER 19 N -0.37 -0.89 0.18 2.44 3.41 -0.74 -1.33 113.62 116.31 1p4t n SER 19 Ca -0.05 -1.58 0.14 0.00 -0.26 0.00 0.00 58.87 57.11 1p4t n SER 19 Cb 0.64 1.48 0.60 0.00 -0.26 0.00 0.00 64.21 66.67 1p4t n SER 19 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1p4t h SER 20 N 0.82 0.00 0.60 4.04 4.64 -1.67 -3.14 113.55 118.84 1p4t h SER 20 Ca -0.13 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.93 1p4t h SER 20 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 1p4t h SER 20 CO 0.17 0.00 -1.56 -0.07 -0.87 0.00 0.00 176.83 174.50 1p4t h LEU 21 N 0.00 0.00 0.00 5.97 3.38 -1.95 -3.51 115.31 119.20 1p4t h LEU 21 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p4t h LEU 21 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1p4t h LEU 21 CO 0.00 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1p4t n GLY 22 N 1.50 -0.81 3.28 0.83 0.00 -1.19 -5.15 105.19 103.65 1p4t n GLY 22 Ca -0.14 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 1p4t n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p4t s SER 23 N -4.00 1.85 0.08 1.61 1.04 -1.26 -1.79 113.70 111.23 1p4t s SER 23 Ca 0.00 -1.07 -0.09 0.00 0.48 0.00 0.00 55.95 55.27 1p4t s SER 23 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1p4t s SER 23 CO 0.00 -0.37 0.20 0.00 0.98 0.00 0.00 173.24 174.05 1p4t s ALA 24 N -3.33 -0.29 0.02 5.32 0.00 -0.31 -5.00 121.76 118.17 1p4t s ALA 24 Ca 0.20 -0.52 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1p4t s ALA 24 Cb 0.03 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1p4t s ALA 24 CO 0.03 -0.48 -0.26 0.15 0.00 0.00 0.00 175.76 175.20 1p4t s LYS 25 N -3.57 1.87 0.00 0.00 1.02 -1.26 -1.17 119.74 116.62 1p4t s LYS 25 Ca 0.03 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1p4t s LYS 25 Cb 0.03 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1p4t s LYS 25 CO -0.09 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 1p4t n GLY 26 N 2.00 1.98 3.23 -3.33 0.00 -0.40 -2.37 105.19 106.29 1p4t n GLY 26 Ca -0.17 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 1p4t n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1p4t s PHE 27 N -1.74 1.45 -0.41 1.61 -0.12 -0.23 -0.51 117.98 118.03 1p4t s PHE 27 Ca 0.00 -0.47 0.08 0.00 -0.05 0.00 0.00 56.93 56.49 1p4t s PHE 27 Cb 0.00 -0.79 0.27 0.00 -0.63 0.00 0.00 43.02 41.87 1p4t s PHE 27 CO 0.00 0.13 0.68 0.43 -0.05 0.00 0.00 175.22 176.41 1p4t n SER 28 N 0.99 -0.53 -4.74 1.98 7.64 0.06 -1.36 113.62 117.66 1p4t n SER 28 Ca -0.19 -2.95 -0.38 0.00 1.01 0.00 0.00 58.87 56.36 1p4t n SER 28 Cb 0.55 0.06 0.05 0.00 -1.01 0.00 0.00 64.21 63.86 1p4t n SER 28 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1p4t n PRO 29 N 1.19 1.57 -3.90 1.43 -0.04 -1.24 -3.75 135.00 130.25 1p4t n PRO 29 Ca 0.18 0.58 -0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1p4t n PRO 29 Cb 0.59 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 31.35 1p4t n PRO 29 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1p4t s ARG 30 N -2.96 0.05 -0.03 0.54 3.52 -0.61 -2.40 118.95 117.05 1p4t s ARG 30 Ca 0.74 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 56.33 1p4t s ARG 30 Cb -0.41 -0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 32.94 1p4t s ARG 30 CO 0.48 0.01 -0.14 -1.50 -0.81 0.00 0.00 175.30 173.34 1p4t s ILE 31 N -0.06 1.16 0.08 4.11 2.07 -0.70 -1.68 121.20 126.17 1p4t s ILE 31 Ca -0.00 -0.57 -0.02 0.00 -1.41 0.00 0.00 60.65 58.65 1p4t s ILE 31 Cb -0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1p4t s ILE 31 CO -0.00 0.34 0.02 -0.94 -1.91 0.00 0.00 174.94 172.45 1p4t s SER 32 N 0.04 0.39 0.03 4.50 1.04 0.02 -0.69 113.70 119.03 1p4t s SER 32 Ca -0.02 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.38 1p4t s SER 32 Cb -0.10 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1p4t s SER 32 CO 0.01 -0.66 -0.08 0.00 0.98 0.00 0.00 173.24 173.48 1p4t s ALA 33 N -3.97 0.67 0.16 5.32 0.00 -0.42 -1.17 121.76 122.35 1p4t s ALA 33 Ca 0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1p4t s ALA 33 Cb 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1p4t s ALA 33 CO -0.05 0.08 0.40 0.41 0.00 0.00 0.00 175.76 176.59 1p4t n GLY 34 N 2.04 1.38 3.72 0.00 0.00 -0.27 -1.27 105.19 110.80 1p4t n GLY 34 Ca -0.18 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1p4t n GLY 34 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p4t s TYR 35 N -5.41 0.31 -0.10 1.61 -0.85 -0.49 -1.10 117.35 111.31 1p4t s TYR 35 Ca 0.08 -0.83 -0.00 0.00 -0.52 0.00 0.00 57.07 55.81 1p4t s TYR 35 Cb -0.02 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1p4t s TYR 35 CO 0.05 -1.38 -0.09 1.03 -1.52 0.00 0.00 175.55 173.64 1p4t s ARG 36 N -2.86 3.13 0.11 -3.49 0.52 -0.55 -1.07 118.95 114.74 1p4t s ARG 36 Ca 0.19 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.84 1p4t s ARG 36 Cb -0.04 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1p4t s ARG 36 CO 0.13 0.42 -0.12 0.42 0.02 0.00 0.00 175.30 176.16 1p4t s ILE 37 N -0.16 1.17 0.00 1.52 1.01 -0.33 -1.68 121.20 122.73 1p4t s ILE 37 Ca 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 58.96 1p4t s ILE 37 Cb -0.13 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.87 1p4t s ILE 37 CO 0.03 -0.49 0.00 0.59 0.00 0.00 0.00 174.94 175.07 1p4t n ASN 38 N 0.52 0.00 -1.55 3.58 3.02 -1.26 -0.31 115.26 119.25 1p4t n ASN 38 Ca -0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 1p4t n ASN 38 Cb 0.57 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.93 1p4t n ASN 38 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1p4t n ASP 39 N 0.32 2.94 -4.53 6.41 8.00 -1.26 -4.98 116.55 123.46 1p4t n ASP 39 Ca 0.00 -3.74 -0.33 0.00 0.71 0.00 0.00 54.79 51.43 1p4t n ASP 39 Cb 0.00 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.27 1p4t n ASP 39 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1p4t s LEU 40 N -3.28 3.01 -0.13 0.64 1.43 0.57 -4.21 118.68 116.71 1p4t s LEU 40 Ca 0.49 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 1p4t s LEU 40 Cb 0.43 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 1p4t s LEU 40 CO 0.03 0.33 0.28 -0.13 0.23 0.00 0.00 176.35 177.09 1p4t s ARG 41 N -0.60 4.05 -0.02 1.70 0.52 -0.78 -1.19 118.95 122.63 1p4t s ARG 41 Ca 0.09 0.10 0.07 0.00 -0.52 0.00 0.00 55.73 55.46 1p4t s ARG 41 Cb -0.12 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1p4t s ARG 41 CO 0.02 0.42 -0.23 -0.06 0.02 0.00 0.00 175.30 175.46 1p4t s PHE 42 N -0.07 2.43 -0.09 -0.53 0.08 -0.23 -1.08 117.98 118.49 1p4t s PHE 42 Ca 0.17 -0.37 -0.16 0.00 0.12 0.00 0.00 56.93 56.69 1p4t s PHE 42 Cb -0.13 -1.53 0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1p4t s PHE 42 CO 0.05 0.03 0.40 0.00 -0.10 0.00 0.00 175.22 175.60 1p4t s ALA 43 N -0.65 -1.01 -0.15 5.36 0.00 -0.73 -1.40 121.76 123.17 1p4t s ALA 43 Ca 0.10 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 1p4t s ALA 43 Cb -0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1p4t s ALA 43 CO -0.00 -0.24 0.08 0.08 0.00 0.00 0.00 175.76 175.67 1p4t s VAL 44 N -0.55 4.97 0.10 0.00 1.01 -0.40 -0.66 120.40 124.87 1p4t s VAL 44 Ca -0.07 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1p4t s VAL 44 Cb -0.04 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1p4t s VAL 44 CO 0.03 0.52 -0.16 1.51 0.00 0.00 0.00 175.10 177.00 1p4t s ASP 45 N -0.16 2.07 -0.16 3.32 -4.77 -0.60 -1.30 116.67 115.06 1p4t s ASP 45 Ca 0.08 -0.71 -0.01 0.00 -3.30 0.00 0.00 52.55 48.62 1p4t s ASP 45 Cb -0.12 -0.09 -0.01 0.00 -1.09 0.00 0.00 42.92 41.62 1p4t s ASP 45 CO 0.01 -0.06 -0.13 -0.47 0.70 0.00 0.00 175.17 175.22 1p4t s TYR 46 N -1.56 2.82 0.01 2.11 5.04 0.14 -0.96 117.35 124.96 1p4t s TYR 46 Ca 0.05 -0.94 0.07 0.00 -2.44 0.00 0.00 57.07 53.81 1p4t s TYR 46 Cb -0.08 -1.92 -0.02 0.00 0.35 0.00 0.00 41.96 40.29 1p4t s TYR 46 CO 0.03 -0.43 -0.23 0.99 -1.34 0.00 0.00 175.55 174.57 1p4t s THR 47 N 0.84 1.80 -0.06 4.34 2.01 -0.23 -1.72 115.64 122.62 1p4t s THR 47 Ca -0.04 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 1p4t s THR 47 Cb -0.15 -1.52 0.03 0.00 0.01 0.00 0.00 72.50 70.87 1p4t s THR 47 CO 0.00 0.41 0.01 -0.60 -0.69 0.00 0.00 174.62 173.75 1p4t s ARG 48 N -0.80 0.45 -0.09 4.92 3.00 -1.01 -1.73 118.95 123.69 1p4t s ARG 48 Ca 0.09 0.16 -0.11 0.00 -1.00 0.00 0.00 55.73 54.87 1p4t s ARG 48 Cb -0.09 -0.84 -0.05 0.00 0.00 0.00 0.00 34.95 33.97 1p4t s ARG 48 CO 0.00 -0.30 0.27 -0.47 0.00 0.00 0.00 175.30 174.80 1p4t s TYR 49 N 1.95 3.60 0.02 5.12 5.04 0.72 -3.68 117.35 130.11 1p4t s TYR 49 Ca 0.04 0.69 0.04 0.00 -2.44 0.00 0.00 57.07 55.40 1p4t s TYR 49 Cb -0.12 -2.17 -0.02 0.00 0.35 0.00 0.00 41.96 40.00 1p4t s TYR 49 CO -0.04 0.56 -0.11 0.15 -1.34 0.00 0.00 175.55 174.76 1p4t s LYS 50 N -0.59 0.80 0.38 4.97 1.02 -0.46 -2.33 119.74 123.53 1p4t s LYS 50 Ca 0.18 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 1p4t s LYS 50 Cb -0.14 -0.77 -0.09 0.00 -0.52 0.00 0.00 37.83 36.31 1p4t s LYS 50 CO 0.07 0.20 1.30 -0.80 -0.92 0.00 0.00 175.35 175.20 1p4t s ASN 51 N -0.76 6.46 0.13 2.83 0.01 -1.26 -1.06 114.94 121.29 1p4t s ASN 51 Ca 0.01 2.66 -0.15 0.00 -0.71 0.00 0.00 52.86 54.67 1p4t s ASN 51 Cb -0.06 -2.64 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 1p4t s ASN 51 CO 0.00 -0.74 1.61 1.88 -1.51 0.00 0.00 177.10 178.34 1p4t h TYR 52 N 2.90 0.74 -3.68 2.20 -1.99 -1.82 -3.44 116.97 111.89 1p4t h TYR 52 Ca -0.49 -0.10 -0.48 0.00 2.00 0.00 0.00 58.73 59.65 1p4t h TYR 52 Cb 1.24 -0.20 -0.32 0.00 2.00 0.00 0.00 36.73 39.45 1p4t h TYR 52 CO 0.54 0.71 -0.81 0.15 -0.00 0.00 0.00 178.16 178.76 1p4t s LYS 53 N -5.19 1.37 -0.16 4.88 3.01 -1.26 -5.11 119.74 117.28 1p4t s LYS 53 Ca -0.13 -0.39 -0.28 0.00 -1.01 0.00 0.00 55.97 54.17 1p4t s LYS 53 Cb 0.10 -1.20 -0.01 0.00 -1.01 0.00 0.00 37.83 35.71 1p4t s LYS 53 CO 0.78 0.10 0.94 0.00 0.51 0.00 0.00 175.35 177.68 1p4t s ALA 54 N 0.37 3.51 1.12 5.17 0.00 -1.26 -4.99 121.76 125.69 1p4t s ALA 54 Ca -0.08 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 1p4t s ALA 54 Cb -0.12 -3.37 0.25 0.00 0.00 0.00 0.00 23.12 19.88 1p4t s ALA 54 CO 0.02 -0.72 1.14 -1.25 0.00 0.00 0.00 175.76 174.95 1p4t s PRO 55 N 2.33 -0.61 0.37 0.00 0.04 -1.26 -4.91 135.00 130.96 1p4t s PRO 55 Ca 0.43 -0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.51 1p4t s PRO 55 Cb -0.17 -1.67 0.79 0.00 0.04 0.00 0.00 34.50 33.50 1p4t s PRO 55 CO 0.13 -3.31 1.96 1.03 0.04 0.00 0.00 177.00 176.85 1p4t h SER 56 N -2.29 0.62 -3.75 6.66 0.87 -2.07 -2.93 113.55 110.66 1p4t h SER 56 Ca -0.46 0.01 -0.72 0.00 -1.23 0.00 0.00 61.79 59.39 1p4t h SER 56 Cb 1.29 -0.13 -0.32 0.00 -0.44 0.00 0.00 62.40 62.80 1p4t h SER 56 CO 0.39 0.39 -0.35 -0.89 -0.53 0.00 0.00 176.83 175.85 1p4t s THR 57 N -5.63 4.00 0.67 2.23 2.01 -1.26 -5.10 115.64 112.56 1p4t s THR 57 Ca -0.09 -2.41 -0.16 0.00 0.31 0.00 0.00 61.69 59.34 1p4t s THR 57 Cb 0.19 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 69.10 1p4t s THR 57 CO 0.77 -0.83 1.16 -0.62 -0.69 0.00 0.00 174.62 174.41 1p4t s ASP 58 N 1.63 4.77 0.14 3.53 -1.08 -1.11 -5.06 116.67 119.49 1p4t s ASP 58 Ca 0.12 2.21 -0.18 0.00 -0.52 0.00 0.00 52.55 54.19 1p4t s ASP 58 Cb -0.21 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.72 1p4t s ASP 58 CO -0.04 -1.87 0.47 0.72 0.52 0.00 0.00 175.17 174.97 1p4t s PHE 59 N -2.06 -0.29 0.22 -5.34 -0.12 -1.26 -4.48 117.98 104.67 1p4t s PHE 59 Ca 0.72 -0.01 0.11 0.00 -0.05 0.00 0.00 56.93 57.70 1p4t s PHE 59 Cb -0.26 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 1p4t s PHE 59 CO 0.41 -0.76 -0.17 0.15 -0.05 0.00 0.00 175.22 174.79 1p4t s LYS 60 N -3.80 1.76 -0.04 1.99 1.02 -0.86 -4.43 119.74 115.38 1p4t s LYS 60 Ca 0.03 -1.54 0.07 0.00 0.02 0.00 0.00 55.97 54.55 1p4t s LYS 60 Cb 0.01 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1p4t s LYS 60 CO -0.11 0.38 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.94 1p4t s LEU 61 N -3.06 2.05 -0.01 3.17 1.02 -0.98 -0.78 118.68 120.09 1p4t s LEU 61 Ca 0.25 -0.48 0.04 0.00 0.02 0.00 0.00 54.13 53.96 1p4t s LEU 61 Cb -0.07 -1.32 -0.01 0.00 0.02 0.00 0.00 46.19 44.81 1p4t s LEU 61 CO 0.13 0.27 -0.12 -0.31 0.02 0.00 0.00 176.35 176.35 1p4t s TYR 62 N -0.37 1.08 0.02 0.29 1.51 0.08 -0.20 117.35 119.76 1p4t s TYR 62 Ca 0.03 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1p4t s TYR 62 Cb -0.12 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1p4t s TYR 62 CO 0.01 -0.03 -0.04 -1.54 -1.11 0.00 0.00 175.55 172.84 1p4t s SER 63 N -0.21 0.33 -0.15 2.29 1.04 -0.70 -0.96 113.70 115.33 1p4t s SER 63 Ca 0.03 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 1p4t s SER 63 Cb -0.05 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 1p4t s SER 63 CO -0.00 -0.27 -0.14 -0.63 0.98 0.00 0.00 173.24 173.18 1p4t s ILE 64 N -1.39 2.80 0.18 -1.02 1.01 -0.71 -1.06 121.20 121.01 1p4t s ILE 64 Ca -0.14 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.85 1p4t s ILE 64 Cb -0.10 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1p4t s ILE 64 CO -0.01 0.51 -0.14 -0.83 0.00 0.00 0.00 174.94 174.47 1p4t s GLY 65 N 0.77 1.34 -0.12 6.18 0.00 -0.13 -1.32 107.32 114.04 1p4t s GLY 65 Ca -0.05 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.09 1p4t s GLY 65 CO 0.01 -1.67 -0.13 0.00 0.00 0.00 0.00 173.10 171.30 1p4t s ALA 66 N -2.85 1.64 -0.01 3.20 0.00 0.49 -1.56 121.76 122.67 1p4t s ALA 66 Ca 0.20 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1p4t s ALA 66 Cb -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1p4t s ALA 66 CO 0.06 -0.22 -0.25 -1.12 0.00 0.00 0.00 175.76 174.23 1p4t s SER 67 N 1.25 3.14 -0.11 0.00 0.01 0.16 -1.28 113.70 116.86 1p4t s SER 67 Ca -0.02 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.80 1p4t s SER 67 Cb -0.14 -0.37 0.01 0.00 0.21 0.00 0.00 66.02 65.73 1p4t s SER 67 CO -0.05 0.31 -0.21 0.00 0.41 0.00 0.00 173.24 173.70 1p4t s ALA 68 N -0.65 2.04 -0.03 1.44 0.00 -0.71 -1.78 121.76 122.08 1p4t s ALA 68 Ca 0.10 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1p4t s ALA 68 Cb -0.10 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1p4t s ALA 68 CO -0.00 0.09 -0.07 0.42 0.00 0.00 0.00 175.76 176.20 1p4t s ILE 69 N 0.65 0.67 -0.23 0.00 1.01 -0.24 -1.65 121.20 121.41 1p4t s ILE 69 Ca -0.12 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1p4t s ILE 69 Cb -0.16 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1p4t s ILE 69 CO 0.03 0.22 0.11 -0.47 0.00 0.00 0.00 174.94 174.82 1p4t s TYR 70 N 0.30 3.22 -0.22 3.97 5.04 0.15 -1.86 117.35 127.95 1p4t s TYR 70 Ca -0.04 -0.01 -0.16 0.00 -2.44 0.00 0.00 57.07 54.42 1p4t s TYR 70 Cb -0.09 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.97 1p4t s TYR 70 CO 0.00 -0.05 0.39 -0.51 -1.34 0.00 0.00 175.55 174.05 1p4t s ASP 71 N 1.07 6.39 -0.02 4.32 1.01 -1.26 -1.86 116.67 126.32 1p4t s ASP 71 Ca 0.05 0.46 -0.30 0.00 0.71 0.00 0.00 52.55 53.48 1p4t s ASP 71 Cb -0.14 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1p4t s ASP 71 CO 0.04 -0.11 1.01 -0.36 0.21 0.00 0.00 175.17 175.96 1p4t s PHE 72 N 1.50 3.60 0.08 4.23 0.40 0.32 -5.00 117.98 123.11 1p4t s PHE 72 Ca 0.18 1.64 -0.30 0.00 -0.60 0.00 0.00 56.93 57.84 1p4t s PHE 72 Cb -0.15 -3.16 -0.05 0.00 0.51 0.00 0.00 43.02 40.16 1p4t s PHE 72 CO 0.08 -0.18 1.06 0.34 0.70 0.00 0.00 175.22 177.22 1p4t s ASP 73 N 1.05 7.29 0.00 1.36 2.15 -1.26 -4.24 116.67 123.01 1p4t s ASP 73 Ca 0.52 1.88 0.00 0.00 0.43 0.00 0.00 52.55 55.38 1p4t s ASP 73 Cb -0.21 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 1p4t s ASP 73 CO 0.26 -0.27 0.00 0.41 -0.17 0.00 0.00 175.17 175.40 1p4t n THR 74 N 3.36 0.00 -1.49 1.71 -1.04 -1.26 -5.05 114.28 110.51 1p4t n THR 74 Ca 0.05 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.71 1p4t n THR 74 Cb 0.48 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.05 1p4t n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p4t n GLN 75 N 0.00 2.65 -3.63 -2.82 1.13 -1.26 -4.98 117.38 108.47 1p4t n GLN 75 Ca 0.00 -3.23 -0.08 0.00 -1.94 0.00 0.00 57.00 51.75 1p4t n GLN 75 Cb 0.00 -2.24 -0.02 0.00 0.11 0.00 0.00 30.24 28.09 1p4t n GLN 75 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1p4t s SER 76 N -1.41 -0.37 0.00 1.08 1.04 -1.26 -5.04 113.70 107.74 1p4t s SER 76 Ca 0.59 -0.27 0.27 0.00 0.48 0.00 0.00 55.95 57.02 1p4t s SER 76 Cb 0.47 0.60 1.56 0.00 0.10 0.00 0.00 66.02 68.74 1p4t s SER 76 CO -0.14 -1.04 1.93 -0.81 0.98 0.00 0.00 173.24 174.16 1p4t n PRO 77 N -0.40 0.78 -3.20 4.02 -0.05 -1.26 -4.75 135.00 130.13 1p4t n PRO 77 Ca -0.10 0.01 -0.41 0.00 -0.05 0.00 0.00 63.50 62.95 1p4t n PRO 77 Cb 0.62 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.49 1p4t n PRO 77 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1p4t s VAL 78 N -2.07 5.01 -0.34 0.52 1.01 -1.26 -0.63 120.40 122.64 1p4t s VAL 78 Ca 0.38 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1p4t s VAL 78 Cb 0.18 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.75 1p4t s VAL 78 CO 0.32 -0.07 0.12 -0.54 0.00 0.00 0.00 175.10 174.94 1p4t s LYS 79 N 2.42 0.91 0.77 2.72 1.02 0.43 -4.53 119.74 123.48 1p4t s LYS 79 Ca 0.22 -1.36 -0.15 0.00 0.02 0.00 0.00 55.97 54.70 1p4t s LYS 79 Cb -0.15 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1p4t s LYS 79 CO 0.11 -1.02 0.95 -2.30 -0.92 0.00 0.00 175.35 172.16 1p4t n PRO 80 N 4.50 0.31 -3.84 -1.68 -0.02 -1.26 -1.79 135.00 131.22 1p4t n PRO 80 Ca 0.01 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 1p4t n PRO 80 Cb 0.40 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1p4t n PRO 80 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1p4t s TYR 81 N -1.98 0.13 -0.09 6.00 -0.85 -0.56 -0.52 117.35 119.48 1p4t s TYR 81 Ca 0.71 -0.55 -0.06 0.00 -0.52 0.00 0.00 57.07 56.64 1p4t s TYR 81 Cb -0.32 -0.04 0.03 0.00 0.38 0.00 0.00 41.96 42.02 1p4t s TYR 81 CO 0.53 -0.56 0.22 -1.17 -1.52 0.00 0.00 175.55 173.05 1p4t s LEU 82 N -2.86 0.82 0.37 -3.49 2.96 -0.78 -1.97 118.68 113.74 1p4t s LEU 82 Ca 0.05 0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 54.30 1p4t s LEU 82 Cb 0.05 0.71 0.04 0.00 0.50 0.00 0.00 46.19 47.49 1p4t s LEU 82 CO -0.11 -0.12 0.70 -0.83 -1.32 0.00 0.00 176.35 174.67 1p4t s GLY 83 N 0.66 0.67 0.10 7.98 0.00 -0.12 -0.67 107.32 115.94 1p4t s GLY 83 Ca -0.04 -0.95 0.05 0.00 0.00 0.00 0.00 44.72 43.77 1p4t s GLY 83 CO -0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 173.10 172.44 1p4t s ALA 84 N -2.57 1.21 -0.03 3.20 0.00 -0.66 -1.31 121.76 121.59 1p4t s ALA 84 Ca 0.20 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 1p4t s ALA 84 Cb -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1p4t s ALA 84 CO 0.14 0.05 0.02 0.50 0.00 0.00 0.00 175.76 176.47 1p4t s ARG 85 N -2.44 0.18 -0.15 0.00 3.52 -0.12 -1.73 118.95 118.21 1p4t s ARG 85 Ca 0.04 0.14 -0.08 0.00 -0.13 0.00 0.00 55.73 55.70 1p4t s ARG 85 Cb -0.06 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.85 1p4t s ARG 85 CO 0.01 -0.17 0.12 -1.17 -0.81 0.00 0.00 175.30 173.28 1p4t s LEU 86 N 1.21 4.20 0.03 -0.88 2.96 -0.41 -0.90 118.68 124.90 1p4t s LEU 86 Ca -0.07 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1p4t s LEU 86 Cb -0.13 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1p4t s LEU 86 CO -0.02 0.31 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.33 1p4t s SER 87 N -0.43 0.46 -0.24 3.68 1.04 -0.70 -0.38 113.70 117.13 1p4t s SER 87 Ca 0.11 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 1p4t s SER 87 Cb -0.12 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1p4t s SER 87 CO 0.02 -0.34 0.07 -0.76 0.98 0.00 0.00 173.24 173.21 1p4t s LEU 88 N -1.81 3.50 0.05 2.42 1.43 -0.43 -0.59 118.68 123.25 1p4t s LEU 88 Ca -0.09 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1p4t s LEU 88 Cb -0.06 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1p4t s LEU 88 CO -0.02 -0.01 -0.25 0.20 0.23 0.00 0.00 176.35 176.50 1p4t s ASN 89 N 1.46 3.01 0.04 2.29 0.01 0.29 -1.74 114.94 120.29 1p4t s ASN 89 Ca 0.06 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.64 1p4t s ASN 89 Cb -0.15 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.22 1p4t s ASN 89 CO 0.04 0.24 -0.05 -0.13 -1.51 0.00 0.00 177.10 175.69 1p4t s ARG 90 N -1.24 0.44 0.32 -0.60 0.52 -0.14 -1.37 118.95 116.88 1p4t s ARG 90 Ca 0.11 -0.78 0.09 0.00 -0.52 0.00 0.00 55.73 54.63 1p4t s ARG 90 Cb -0.10 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 1p4t s ARG 90 CO 0.02 -0.03 0.08 0.00 0.02 0.00 0.00 175.30 175.39 1p4t s ALA 91 N -1.90 3.35 0.03 2.13 0.00 -1.26 -0.74 121.76 123.38 1p4t s ALA 91 Ca -0.10 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.09 1p4t s ALA 91 Cb -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1p4t s ALA 91 CO -0.02 0.10 -0.09 0.45 0.00 0.00 0.00 175.76 176.20 1p4t s SER 92 N -3.78 1.01 -0.03 0.00 0.15 0.04 -1.43 113.70 109.66 1p4t s SER 92 Ca 0.35 -0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 1p4t s SER 92 Cb -0.03 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1p4t s SER 92 CO 0.21 -0.09 0.08 0.54 1.20 0.00 0.00 173.24 175.19 1p4t s VAL 93 N -0.99 0.00 0.08 4.45 0.11 -0.97 -2.02 120.40 121.06 1p4t s VAL 93 Ca -0.05 -0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 58.79 1p4t s VAL 93 Cb -0.08 -0.13 -0.07 0.00 -1.53 0.00 0.00 36.38 34.57 1p4t s VAL 93 CO 0.01 -0.01 0.59 -0.62 -3.33 0.00 0.00 175.10 171.73 1p4t s ASP 94 N 0.02 7.09 -0.28 3.54 -1.08 -1.26 -0.95 116.67 123.75 1p4t s ASP 94 Ca -0.00 1.29 -0.01 0.00 -0.52 0.00 0.00 52.55 53.31 1p4t s ASP 94 Cb -0.01 -2.37 0.13 0.00 -1.46 0.00 0.00 42.92 39.21 1p4t s ASP 94 CO 0.00 0.27 0.26 -0.76 0.52 0.00 0.00 175.17 175.46 1p4t s LEU 95 N -1.11 -0.10 -1.57 -1.34 1.43 -0.14 -4.85 118.68 110.99 1p4t s LEU 95 Ca 0.29 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1p4t s LEU 95 Cb -0.20 0.36 0.01 0.00 0.03 0.00 0.00 46.19 46.38 1p4t s LEU 95 CO 0.20 -0.39 0.58 0.61 0.23 0.00 0.00 176.35 177.57 1p4t n GLY 96 N 5.30 -0.52 0.00 -3.19 0.00 -1.26 -2.89 105.19 102.62 1p4t n GLY 96 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1p4t n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p4t n GLY 97 N -1.50 2.93 3.50 -0.02 0.00 -1.26 -5.08 105.19 103.76 1p4t n GLY 97 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1p4t n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4t s SER 98 N -0.80 4.07 0.29 1.61 0.01 -1.14 -5.07 113.70 112.66 1p4t s SER 98 Ca 0.00 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 1p4t s SER 98 Cb 0.00 -0.75 -0.10 0.00 0.21 0.00 0.00 66.02 65.38 1p4t s SER 98 CO 0.00 0.26 1.31 -1.81 0.41 0.00 0.00 173.24 173.41 1p4t s ASP 99 N -1.49 6.82 -0.07 2.44 1.01 -1.26 -0.97 116.67 123.16 1p4t s ASP 99 Ca 0.16 2.59 0.04 0.00 0.71 0.00 0.00 52.55 56.05 1p4t s ASP 99 Cb -0.11 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1p4t s ASP 99 CO 0.06 -0.52 -0.19 -0.94 0.21 0.00 0.00 175.17 173.79 1p4t s SER 100 N -0.22 2.49 0.21 0.27 1.04 -0.12 -4.92 113.70 112.44 1p4t s SER 100 Ca 0.52 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.55 1p4t s SER 100 Cb -0.39 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 1p4t s SER 100 CO 0.47 0.14 0.35 -0.36 0.98 0.00 0.00 173.24 174.82 1p4t s PHE 101 N 0.27 3.47 0.78 5.02 0.40 -1.26 -2.30 117.98 124.36 1p4t s PHE 101 Ca -0.12 0.12 -0.08 0.00 -0.60 0.00 0.00 56.93 56.25 1p4t s PHE 101 Cb -0.15 -1.68 0.12 0.00 0.51 0.00 0.00 43.02 41.82 1p4t s PHE 101 CO 0.05 0.43 1.10 -1.54 0.70 0.00 0.00 175.22 175.96 1p4t s SER 102 N -3.58 4.22 0.86 1.36 1.04 -0.52 -4.99 113.70 112.09 1p4t s SER 102 Ca 0.35 0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.89 1p4t s SER 102 Cb -0.10 -0.62 0.11 0.00 0.10 0.00 0.00 66.02 65.52 1p4t s SER 102 CO 0.29 -1.99 1.13 -1.10 0.98 0.00 0.00 173.24 172.55 1p4t s GLN 103 N -5.41 1.47 0.15 4.02 -0.21 -1.26 -4.76 119.66 113.67 1p4t s GLN 103 Ca 0.66 1.42 -0.30 0.00 0.02 0.00 0.00 55.36 57.15 1p4t s GLN 103 Cb -0.07 -1.79 -0.07 0.00 1.00 0.00 0.00 33.01 32.08 1p4t s GLN 103 CO 0.47 -2.27 0.98 -0.08 -2.12 0.00 0.00 175.29 172.27 1p4t s THR 104 N -2.74 4.29 -0.06 -0.19 -1.32 -1.26 -4.66 115.64 109.70 1p4t s THR 104 Ca 0.65 1.99 0.05 0.00 -1.21 0.00 0.00 61.69 63.17 1p4t s THR 104 Cb -0.21 -4.27 -0.01 0.00 -1.51 0.00 0.00 72.50 66.51 1p4t s THR 104 CO 0.57 0.35 -0.22 -0.44 -2.21 0.00 0.00 174.62 172.67 1p4t s SER 105 N -0.27 2.76 0.15 8.08 0.01 -0.47 -4.94 113.70 119.02 1p4t s SER 105 Ca 0.46 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 1p4t s SER 105 Cb -0.25 -0.89 -0.07 0.00 0.21 0.00 0.00 66.02 65.02 1p4t s SER 105 CO 0.31 0.19 1.09 -0.63 0.41 0.00 0.00 173.24 174.62 1p4t s ILE 106 N 0.03 3.99 0.17 1.44 1.01 -1.26 -0.54 121.20 126.04 1p4t s ILE 106 Ca -0.07 1.66 0.10 0.00 0.00 0.00 0.00 60.65 62.33 1p4t s ILE 106 Cb -0.14 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1p4t s ILE 106 CO 0.04 0.26 -0.21 -0.83 0.00 0.00 0.00 174.94 174.21 1p4t s GLY 107 N 0.08 1.50 -0.06 6.18 0.00 0.25 -4.71 107.32 110.54 1p4t s GLY 107 Ca 0.50 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1p4t s GLY 107 CO 0.33 -1.56 -0.05 -2.27 0.00 0.00 0.00 173.10 169.56 1p4t s LEU 108 N -2.59 1.17 0.20 0.66 2.96 -0.64 -1.72 118.68 118.71 1p4t s LEU 108 Ca 0.17 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1p4t s LEU 108 Cb -0.07 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 46.01 1p4t s LEU 108 CO 0.08 -0.09 0.04 -0.83 -1.32 0.00 0.00 176.35 174.23 1p4t s GLY 109 N 1.26 1.37 0.05 7.98 0.00 -0.07 -1.02 107.32 116.89 1p4t s GLY 109 Ca -0.05 -1.67 0.07 0.00 0.00 0.00 0.00 44.72 43.06 1p4t s GLY 109 CO -0.02 -1.54 -0.15 0.54 0.00 0.00 0.00 173.10 171.94 1p4t s VAL 110 N -3.72 3.05 0.06 1.40 0.11 -0.24 -0.94 120.40 120.12 1p4t s VAL 110 Ca 0.29 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 58.22 1p4t s VAL 110 Cb 0.07 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1p4t s VAL 110 CO 0.07 0.28 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.22 1p4t s LEU 111 N -1.65 2.24 0.19 2.54 1.43 -0.43 -1.92 118.68 121.08 1p4t s LEU 111 Ca 0.17 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 1p4t s LEU 111 Cb -0.11 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.59 1p4t s LEU 111 CO 0.08 -0.04 0.49 0.28 0.23 0.00 0.00 176.35 177.39 1p4t s THR 112 N -1.13 0.03 -4.24 5.49 -1.32 -0.60 -0.94 115.64 112.93 1p4t s THR 112 Ca -0.01 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1p4t s THR 112 Cb -0.09 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.32 1p4t s THR 112 CO 0.02 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1p4t n GLY 113 N -0.32 -0.51 3.10 6.08 0.00 -0.83 -1.41 105.19 111.29 1p4t n GLY 113 Ca -0.10 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1p4t n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p4t s VAL 114 N -3.19 -0.03 0.12 1.61 1.01 -0.60 -1.50 120.40 117.82 1p4t s VAL 114 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1p4t s VAL 114 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1p4t s VAL 114 CO 0.00 0.04 0.06 -0.44 0.00 0.00 0.00 175.10 174.76 1p4t s SER 115 N 1.02 5.25 -0.09 3.32 0.01 -0.74 -0.81 113.70 121.67 1p4t s SER 115 Ca -0.07 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1p4t s SER 115 Cb -0.08 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.85 1p4t s SER 115 CO -0.07 0.13 -0.15 -0.47 0.41 0.00 0.00 173.24 173.09 1p4t s TYR 116 N -1.50 1.84 -0.43 2.43 6.14 0.33 -0.43 117.35 125.73 1p4t s TYR 116 Ca 0.28 -0.76 -0.26 0.00 0.64 0.00 0.00 57.07 56.97 1p4t s TYR 116 Cb -0.11 -1.31 0.02 0.00 0.42 0.00 0.00 41.96 40.98 1p4t s TYR 116 CO 0.21 -0.37 0.93 0.00 0.64 0.00 0.00 175.55 176.95 1p4t s ALA 117 N 0.72 3.29 -0.01 3.97 0.00 0.19 -1.12 121.76 128.80 1p4t s ALA 117 Ca -0.13 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 1p4t s ALA 117 Cb -0.16 -3.61 -0.20 0.00 0.00 0.00 0.00 23.12 19.16 1p4t s ALA 117 CO 0.03 -1.91 1.18 0.28 0.00 0.00 0.00 175.76 175.33 1p4t h VAL 118 N 6.00 1.44 -4.60 0.00 2.07 -1.45 -3.47 116.25 116.25 1p4t h VAL 118 Ca -0.24 -1.67 -0.30 0.00 0.82 0.00 0.00 66.70 65.31 1p4t h VAL 118 Cb 1.08 2.35 -0.14 0.00 -1.52 0.00 0.00 31.29 33.06 1p4t h VAL 118 CO 1.01 0.47 -0.52 0.42 0.02 0.00 0.00 177.57 178.97 1p4t s THR 119 N -3.67 0.00 0.50 2.57 -4.23 -1.09 -4.99 115.64 104.74 1p4t s THR 119 Ca -0.15 -1.94 0.37 0.00 -1.18 0.00 0.00 61.69 58.80 1p4t s THR 119 Cb 0.03 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.75 1p4t s THR 119 CO 0.75 0.00 2.13 -0.65 -0.54 0.00 0.00 174.62 176.31 1p4t h PRO 120 N 2.41 0.00 -0.01 3.99 0.11 -2.02 -2.88 132.00 133.61 1p4t h PRO 120 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1p4t h PRO 120 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1p4t h PRO 120 CO 0.46 0.00 -0.30 0.09 -0.21 0.00 0.00 178.00 178.04 1p4t n ASN 121 N -2.87 1.24 -3.94 -2.05 4.13 -1.26 -4.93 115.26 105.58 1p4t n ASN 121 Ca -0.02 -1.12 -0.25 0.00 1.68 0.00 0.00 54.58 54.86 1p4t n ASN 121 Cb 0.14 0.55 -0.17 0.00 -1.54 0.00 0.00 39.78 38.76 1p4t n ASN 121 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1p4t s VAL 122 N -1.64 0.97 0.09 2.41 1.01 -1.09 -0.93 120.40 121.23 1p4t s VAL 122 Ca 0.09 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1p4t s VAL 122 Cb 0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1p4t s VAL 122 CO 0.33 0.34 -0.16 -1.81 0.00 0.00 0.00 175.10 173.80 1p4t s ASP 123 N 1.21 3.97 0.18 3.32 1.01 -0.47 -1.08 116.67 124.81 1p4t s ASP 123 Ca -0.05 -0.48 0.02 0.00 0.71 0.00 0.00 52.55 52.75 1p4t s ASP 123 Cb -0.14 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.12 1p4t s ASP 123 CO -0.02 0.21 0.33 -0.76 0.21 0.00 0.00 175.17 175.14 1p4t s LEU 124 N -1.91 4.29 -0.10 1.23 1.43 -0.28 -1.37 118.68 121.96 1p4t s LEU 124 Ca 0.17 0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1p4t s LEU 124 Cb -0.11 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.16 1p4t s LEU 124 CO 0.09 -0.00 0.22 -0.62 0.23 0.00 0.00 176.35 176.27 1p4t s ASP 125 N -3.31 0.21 -0.21 2.29 3.68 -0.42 -0.51 116.67 118.40 1p4t s ASP 125 Ca 0.36 0.47 -0.02 0.00 2.13 0.00 0.00 52.55 55.50 1p4t s ASP 125 Cb -0.11 0.45 0.01 0.00 -1.45 0.00 0.00 42.92 41.82 1p4t s ASP 125 CO 0.29 -0.21 -0.11 0.00 0.13 0.00 0.00 175.17 175.27 1p4t s ALA 126 N 1.90 2.60 0.16 3.66 0.00 0.01 -0.75 121.76 129.35 1p4t s ALA 126 Ca -0.03 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.76 1p4t s ALA 126 Cb -0.11 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1p4t s ALA 126 CO -0.08 -0.43 -0.08 0.20 0.00 0.00 0.00 175.76 175.38 1p4t s GLY 127 N 1.39 1.15 -0.11 0.00 0.00 -0.17 -1.55 107.32 108.02 1p4t s GLY 127 Ca 0.05 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 43.26 1p4t s GLY 127 CO -0.07 -1.60 -0.22 -0.47 0.00 0.00 0.00 173.10 170.74 1p4t s TYR 128 N -3.37 2.62 -0.01 1.90 5.04 -0.50 -0.36 117.35 122.66 1p4t s TYR 128 Ca 0.19 -1.06 0.07 0.00 -2.44 0.00 0.00 57.07 53.83 1p4t s TYR 128 Cb 0.03 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.57 1p4t s TYR 128 CO 0.02 -0.44 -0.23 1.03 -1.34 0.00 0.00 175.55 174.59 1p4t s ARG 129 N 0.46 2.15 -0.10 4.97 0.52 -0.34 -1.55 118.95 125.05 1p4t s ARG 129 Ca -0.15 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1p4t s ARG 129 Cb -0.17 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.19 1p4t s ARG 129 CO 0.06 0.57 -0.19 -0.47 0.02 0.00 0.00 175.30 175.28 1p4t s TYR 130 N -0.69 2.25 -0.11 -0.53 5.04 -0.81 -0.70 117.35 121.80 1p4t s TYR 130 Ca 0.11 -1.00 0.02 0.00 -2.44 0.00 0.00 57.07 53.76 1p4t s TYR 130 Cb -0.10 -1.55 0.01 0.00 0.35 0.00 0.00 41.96 40.67 1p4t s TYR 130 CO 0.00 -0.45 -0.17 -0.80 -1.34 0.00 0.00 175.55 172.79 1p4t s ASN 131 N 0.65 2.59 -0.60 4.32 0.01 -0.64 -1.08 114.94 120.20 1p4t s ASN 131 Ca -0.13 -0.47 -0.22 0.00 -0.71 0.00 0.00 52.86 51.33 1p4t s ASN 131 Cb -0.16 -1.17 0.06 0.00 0.41 0.00 0.00 41.25 40.39 1p4t s ASN 131 CO 0.03 0.03 0.90 -0.47 -1.51 0.00 0.00 177.10 176.08 1p4t s TYR 132 N 0.93 2.78 -0.54 2.20 5.04 -0.19 -1.51 117.35 126.06 1p4t s TYR 132 Ca -0.07 -0.40 0.23 0.00 -2.44 0.00 0.00 57.07 54.40 1p4t s TYR 132 Cb -0.15 -4.10 0.11 0.00 0.35 0.00 0.00 41.96 38.17 1p4t s TYR 132 CO -0.01 -1.45 1.09 -0.89 -1.34 0.00 0.00 175.55 172.95 1p4t n ILE 133 N 5.95 0.28 0.00 3.14 5.41 -0.24 -1.62 119.36 132.28 1p4t n ILE 133 Ca -0.03 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1p4t n ILE 133 Cb 0.46 0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 1p4t n ILE 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1p4t n GLY 134 N 1.33 1.73 3.39 7.39 0.00 -0.27 -4.69 105.19 114.07 1p4t n GLY 134 Ca 0.02 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1p4t n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4t s LYS 135 N 0.00 3.17 -0.42 1.61 3.01 -1.26 0.23 119.74 126.08 1p4t s LYS 135 Ca 0.00 -0.82 -0.04 0.00 -1.01 0.00 0.00 55.97 54.09 1p4t s LYS 135 Cb 0.00 -3.52 0.11 0.00 -1.01 0.00 0.00 37.83 33.41 1p4t s LYS 135 CO 0.00 -0.47 0.23 0.08 0.51 0.00 0.00 175.35 175.71 1p4t s VAL 136 N 1.56 3.52 -0.43 3.17 1.01 -0.82 -4.85 120.40 123.56 1p4t s VAL 136 Ca 0.03 -1.95 -0.13 0.00 0.00 0.00 0.00 61.98 59.94 1p4t s VAL 136 Cb -0.17 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1p4t s VAL 136 CO 0.05 -0.69 0.42 -3.20 0.00 0.00 0.00 175.10 171.68 1p4t n ASN 137 N 4.68 -3.38 0.00 3.32 5.15 -1.26 -2.72 115.26 121.05 1p4t n ASN 137 Ca -0.04 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 1p4t n ASN 137 Cb 0.41 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 1p4t n ASN 137 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1p4t n THR 138 N -1.06 0.00 -2.34 -0.44 -1.04 -1.26 -5.04 114.28 103.10 1p4t n THR 138 Ca -0.14 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.46 1p4t n THR 138 Cb 0.46 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 1p4t n THR 138 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1p4t s VAL 139 N 0.00 3.43 0.20 12.58 1.01 -1.10 -5.03 120.40 131.49 1p4t s VAL 139 Ca 0.00 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1p4t s VAL 139 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1p4t s VAL 139 CO 0.00 0.21 0.25 -0.54 0.00 0.00 0.00 175.10 175.02 1p4t s LYS 140 N -0.43 3.21 -1.50 2.72 1.02 -1.26 -1.94 119.74 121.55 1p4t s LYS 140 Ca 0.52 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.62 1p4t s LYS 140 Cb -0.34 -2.79 0.07 0.00 -0.52 0.00 0.00 37.83 34.25 1p4t s LYS 140 CO 0.38 0.47 0.81 0.09 -0.92 0.00 0.00 175.35 176.18 1p4t n ASN 141 N -0.84 -3.12 -4.74 2.83 3.02 -1.18 -2.22 115.26 109.02 1p4t n ASN 141 Ca -0.08 -0.86 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 1p4t n ASN 141 Cb 0.56 -3.60 -0.03 0.00 -0.61 0.00 0.00 39.78 36.10 1p4t n ASN 141 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1p4t s VAL 142 N -3.48 3.29 0.03 2.41 1.01 0.13 -4.12 120.40 119.68 1p4t s VAL 142 Ca 0.44 1.06 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 1p4t s VAL 142 Cb -0.23 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.53 1p4t s VAL 142 CO 0.85 0.16 0.53 0.00 0.00 0.00 0.00 175.10 176.64 1p4t s ARG 143 N -0.09 1.02 0.02 2.72 1.70 -0.44 -1.08 118.95 122.79 1p4t s ARG 143 Ca 0.56 -0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 1p4t s ARG 143 Cb -0.36 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.47 1p4t s ARG 143 CO 0.38 -0.36 -0.02 -1.54 -1.08 0.00 0.00 175.30 172.68 1p4t s SER 144 N -1.81 0.22 -0.05 -2.89 1.04 -0.57 -0.61 113.70 109.03 1p4t s SER 144 Ca -0.07 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.07 1p4t s SER 144 Cb -0.01 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1p4t s SER 144 CO 0.00 -0.20 -0.23 -0.83 0.98 0.00 0.00 173.24 172.96 1p4t s GLY 145 N -1.04 1.33 -0.04 7.32 0.00 -0.40 -1.63 107.32 112.87 1p4t s GLY 145 Ca -0.11 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.56 1p4t s GLY 145 CO -0.01 -0.75 -0.05 -0.54 0.00 0.00 0.00 173.10 171.76 1p4t s GLU 146 N -0.40 0.84 -0.17 2.90 2.02 0.13 -0.54 118.70 123.48 1p4t s GLU 146 Ca 0.04 -0.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 1p4t s GLU 146 Cb -0.12 -0.84 -0.03 0.00 0.10 0.00 0.00 34.13 33.25 1p4t s GLU 146 CO 0.02 -0.07 -0.03 -0.51 0.02 0.00 0.00 175.26 174.69 1p4t s LEU 147 N 0.88 3.23 0.23 1.80 1.43 0.23 -1.20 118.68 125.28 1p4t s LEU 147 Ca -0.12 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1p4t s LEU 147 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1p4t s LEU 147 CO 0.00 0.13 0.13 -0.94 0.23 0.00 0.00 176.35 175.90 1p4t s SER 148 N 0.62 0.62 -0.17 2.29 1.04 0.51 -1.23 113.70 117.38 1p4t s SER 148 Ca -0.02 -1.41 -0.09 0.00 0.48 0.00 0.00 55.95 54.91 1p4t s SER 148 Cb -0.14 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.36 1p4t s SER 148 CO 0.02 -0.82 0.41 0.00 0.98 0.00 0.00 173.24 173.84 1p4t s ALA 149 N -3.97 -1.06 0.36 5.32 0.00 -0.79 -1.00 121.76 120.62 1p4t s ALA 149 Ca 0.38 1.54 -0.09 0.00 0.00 0.00 0.00 51.96 53.79 1p4t s ALA 149 Cb 0.07 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.27 1p4t s ALA 149 CO 0.13 -0.28 0.63 0.20 0.00 0.00 0.00 175.76 176.44 1p4t s GLY 150 N 1.45 0.95 -0.02 0.00 0.00 0.07 -1.86 107.32 107.91 1p4t s GLY 150 Ca -0.09 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.53 1p4t s GLY 150 CO -0.13 -0.67 -0.17 0.14 0.00 0.00 0.00 173.10 172.28 1p4t s VAL 151 N -2.72 1.33 -0.06 1.40 1.01 -0.71 -1.30 120.40 119.35 1p4t s VAL 151 Ca 0.23 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1p4t s VAL 151 Cb -0.03 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1p4t s VAL 151 CO 0.16 0.38 -0.13 -0.60 0.00 0.00 0.00 175.10 174.91 1p4t s ARG 152 N -0.34 1.75 -0.28 2.72 3.52 -0.47 -1.91 118.95 123.94 1p4t s ARG 152 Ca 0.05 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1p4t s ARG 152 Cb -0.07 -1.44 0.07 0.00 -1.56 0.00 0.00 34.95 31.95 1p4t s ARG 152 CO -0.00 0.05 -0.07 0.08 -0.81 0.00 0.00 175.30 174.55 1p4t s VAL 153 N 0.61 2.22 -0.66 7.11 1.01 -0.37 -1.37 120.40 128.94 1p4t s VAL 153 Ca -0.14 -1.80 -0.23 0.00 0.00 0.00 0.00 61.98 59.81 1p4t s VAL 153 Cb -0.16 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 33.90 1p4t s VAL 153 CO 0.04 -0.17 0.98 -1.59 0.00 0.00 0.00 175.10 174.36 1p4t s LYS 154 N 1.06 3.11 0.00 2.72 0.00 -0.11 -2.29 119.74 124.23 1p4t s LYS 154 Ca -0.04 -0.81 0.29 0.00 0.00 0.00 0.00 55.97 55.41 1p4t s LYS 154 Cb -0.20 -4.23 1.25 0.00 0.00 0.00 0.00 37.83 34.66 1p4t s LYS 154 CO -0.06 -1.83 1.86 1.97 0.00 0.00 0.00 175.35 177.29