#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpp s LYS 2 N 0.00 2.48 -0.24 0.03 1.02 -1.26 -5.07 119.74 116.70 2kpp s LYS 2 Ca 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.78 2kpp s LYS 2 Cb 0.00 -2.99 0.07 0.00 -0.52 0.00 0.00 37.83 34.39 2kpp s LYS 2 CO 0.00 -0.53 -0.02 -0.80 -0.92 0.00 0.00 175.35 173.08 2kpp s ASN 3 N 1.21 3.80 -0.27 2.83 -0.87 -1.26 -5.11 114.94 115.27 2kpp s ASN 3 Ca -0.05 -1.24 -0.08 0.00 -1.57 0.00 0.00 52.86 49.93 2kpp s ASN 3 Cb -0.19 -1.10 -0.01 0.00 -0.02 0.00 0.00 41.25 39.93 2kpp s ASN 3 CO -0.04 -0.27 0.08 0.42 -2.57 0.00 0.00 177.10 174.72 2kpp s THR 4 N 1.45 4.25 -0.55 1.60 -4.23 -1.26 -4.96 115.64 111.94 2kpp s THR 4 Ca -0.03 -0.35 0.24 0.00 -1.18 0.00 0.00 61.69 60.37 2kpp s THR 4 Cb -0.18 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.84 2kpp s THR 4 CO -0.08 0.23 1.58 1.23 -0.54 0.00 0.00 174.62 177.03 2kpp h GLY 5 N 8.26 0.00 -7.42 3.99 0.00 -2.04 -3.42 103.07 102.44 2kpp h GLY 5 Ca -0.36 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.59 2kpp h GLY 5 CO 0.59 0.00 1.15 0.99 0.00 0.00 0.00 176.54 179.27 2kpp s ASP 6 N -5.28 5.39 -0.61 0.19 1.01 -1.26 -4.93 116.67 111.18 2kpp s ASP 6 Ca 0.07 -1.48 -0.28 0.00 0.71 0.00 0.00 52.55 51.58 2kpp s ASP 6 Cb 0.09 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.47 2kpp s ASP 6 CO 0.66 -2.64 1.22 -1.61 0.21 0.00 0.00 175.17 173.01 2kpp s GLU 7 N 6.23 3.44 0.05 8.23 2.02 -1.26 -4.76 118.70 132.66 2kpp s GLU 7 Ca 0.65 0.17 0.09 0.00 0.02 0.00 0.00 54.97 55.90 2kpp s GLU 7 Cb -0.02 -4.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.13 2kpp s GLU 7 CO 0.07 -1.79 -0.25 0.14 0.02 0.00 0.00 175.26 173.45 2kpp s VAL 8 N 5.17 2.06 -0.05 2.63 -7.23 -1.26 -1.02 120.40 120.69 2kpp s VAL 8 Ca 0.42 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 2kpp s VAL 8 Cb -0.08 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 2kpp s VAL 8 CO 0.23 0.33 -0.18 0.68 -0.31 0.00 0.00 175.10 175.85 2kpp s VAL 9 N -0.81 1.49 -0.36 1.32 -7.23 0.70 -1.29 120.40 114.22 2kpp s VAL 9 Ca 0.11 -0.74 -0.22 0.00 -1.81 0.00 0.00 61.98 59.32 2kpp s VAL 9 Cb -0.10 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.56 2kpp s VAL 9 CO 0.02 0.43 0.74 0.00 -0.31 0.00 0.00 175.10 175.98 2kpp s ALA 10 N 0.13 3.44 -0.10 1.32 0.00 0.58 -1.39 121.76 125.74 2kpp s ALA 10 Ca -0.06 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2kpp s ALA 10 Cb -0.13 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2kpp s ALA 10 CO 0.03 -1.44 0.25 0.42 0.00 0.00 0.00 175.76 175.02 2kpp s ILE 11 N 2.98 5.32 -0.18 0.00 -1.09 -0.34 -0.71 121.20 127.18 2kpp s ILE 11 Ca 0.29 0.46 0.01 0.00 -2.23 0.00 0.00 60.65 59.18 2kpp s ILE 11 Cb -0.14 -3.54 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2kpp s ILE 11 CO 0.16 0.55 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.63 2kpp s ILE 12 N -0.67 1.86 0.15 2.92 1.09 0.49 -0.84 121.20 126.20 2kpp s ILE 12 Ca 0.17 -0.89 0.08 0.00 -1.10 0.00 0.00 60.65 58.91 2kpp s ILE 12 Cb -0.14 -1.75 -0.04 0.00 -1.06 0.00 0.00 42.46 39.48 2kpp s ILE 12 CO 0.06 0.43 -0.07 -0.94 -0.10 0.00 0.00 174.94 174.32 2kpp s SER 13 N 1.35 4.44 -0.13 3.58 1.04 0.69 -1.01 113.70 123.66 2kpp s SER 13 Ca 0.03 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.84 2kpp s SER 13 Cb -0.14 -0.84 0.04 0.00 0.10 0.00 0.00 66.02 65.19 2kpp s SER 13 CO -0.11 0.12 0.42 -1.58 0.98 0.00 0.00 173.24 173.07 2kpp s GLN 14 N -2.66 0.56 -0.90 4.02 0.74 0.66 -0.71 119.66 121.36 2kpp s GLN 14 Ca 0.24 0.44 0.00 0.00 0.05 0.00 0.00 55.36 56.10 2kpp s GLN 14 Cb -0.10 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.28 2kpp s GLN 14 CO 0.16 -0.09 0.00 0.09 -0.55 0.00 0.00 175.29 174.89 2kpp n ASN 15 N 2.48 -5.74 0.00 6.67 3.02 -0.23 -1.66 115.26 119.80 2kpp n ASN 15 Ca -0.15 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2kpp n ASN 15 Cb 0.57 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 2kpp n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kpp n GLY 16 N 0.43 1.02 3.15 7.41 0.00 -1.26 -5.09 105.19 110.84 2kpp n GLY 16 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2kpp n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpp s LYS 17 N -0.90 0.57 0.28 1.61 -2.85 -0.66 -5.07 119.74 112.72 2kpp s LYS 17 Ca 0.00 -0.41 -0.29 0.00 -1.00 0.00 0.00 55.97 54.26 2kpp s LYS 17 Cb 0.00 0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 35.91 2kpp s LYS 17 CO 0.00 -0.15 1.41 0.08 0.10 0.00 0.00 175.35 176.80 2kpp s VAL 18 N -1.64 2.60 -0.01 1.79 1.01 -1.26 -0.25 120.40 122.64 2kpp s VAL 18 Ca -0.12 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2kpp s VAL 18 Cb -0.06 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2kpp s VAL 18 CO 0.01 0.10 0.04 2.30 0.00 0.00 0.00 175.10 177.55 2kpp n ILE 19 N 1.75 0.03 -3.61 2.22 -5.35 -0.18 -4.85 119.36 109.37 2kpp n ILE 19 Ca 0.04 -0.06 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 2kpp n ILE 19 Cb 0.40 0.16 -0.06 0.00 -1.74 0.00 0.00 39.64 38.40 2kpp n ILE 19 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2kpp s ARG 20 N -2.14 0.51 -0.03 6.28 6.06 -1.08 -5.06 118.95 123.48 2kpp s ARG 20 Ca -0.01 0.34 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 2kpp s ARG 20 Cb 0.01 0.24 0.03 0.00 0.06 0.00 0.00 34.95 35.29 2kpp s ARG 20 CO 0.09 -0.11 0.00 -1.83 -2.50 0.00 0.00 175.30 170.95 2kpp s GLU 21 N -0.45 0.31 -0.16 5.12 -1.05 -1.26 -0.38 118.70 120.84 2kpp s GLU 21 Ca 0.01 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 2kpp s GLU 21 Cb -0.03 -0.54 0.02 0.00 -0.44 0.00 0.00 34.13 33.15 2kpp s GLU 21 CO -0.03 -0.17 -0.15 0.42 0.95 0.00 0.00 175.26 176.29 2kpp s ILE 22 N 1.20 1.65 0.22 1.83 1.09 0.11 -4.98 121.20 122.32 2kpp s ILE 22 Ca -0.07 -0.70 -0.31 0.00 -1.10 0.00 0.00 60.65 58.46 2kpp s ILE 22 Cb -0.13 -1.55 -0.11 0.00 -1.06 0.00 0.00 42.46 39.61 2kpp s ILE 22 CO -0.02 0.45 1.61 -2.84 -0.10 0.00 0.00 174.94 174.04 2kpp s PRO 23 N 1.45 4.16 -0.14 2.79 0.02 -1.26 -0.31 135.00 141.72 2kpp s PRO 23 Ca 0.05 2.50 -0.12 0.00 0.02 0.00 0.00 61.00 63.44 2kpp s PRO 23 Cb -0.13 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 2kpp s PRO 23 CO -0.11 -0.64 -0.24 1.28 -0.33 0.00 0.00 177.00 176.96 2kpp n LEU 24 N 3.29 1.56 -4.67 -5.54 4.77 -0.41 -4.54 117.00 111.47 2kpp n LEU 24 Ca 0.12 0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 56.07 2kpp n LEU 24 Cb 0.37 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2kpp n LEU 24 CO 0.63 -0.37 1.58 -0.89 -1.33 0.00 0.00 177.39 177.00 2kpp s THR 25 N -2.37 2.91 0.00 -5.08 2.01 -1.05 -1.05 115.64 111.00 2kpp s THR 25 Ca -0.20 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2kpp s THR 25 Cb 0.03 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2kpp s THR 25 CO 0.29 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 2kpp n GLY 26 N 4.48 1.36 3.57 4.40 0.00 -1.26 -4.81 105.19 112.93 2kpp n GLY 26 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2kpp n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kpp s HIS 27 N -2.59 2.49 -0.75 1.61 5.04 -0.22 -4.94 115.29 115.93 2kpp s HIS 27 Ca 0.00 -0.84 -0.24 0.00 -1.54 0.00 0.00 55.06 52.43 2kpp s HIS 27 Cb 0.00 -4.61 0.05 0.00 0.04 0.00 0.00 32.58 28.07 2kpp s HIS 27 CO 0.00 -1.84 1.17 0.15 -2.34 0.00 0.00 174.74 171.89 2kpp s LYS 28 N 5.06 3.23 0.00 2.88 1.02 -1.26 -3.97 119.74 126.70 2kpp s LYS 28 Ca 0.52 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2kpp s LYS 28 Cb 0.00 -4.38 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 2kpp s LYS 28 CO -0.02 -2.01 0.00 0.41 -0.92 0.00 0.00 175.35 172.81 2kpp n GLY 29 N 5.53 -0.33 3.39 -3.33 0.00 -1.26 -5.03 105.19 104.17 2kpp n GLY 29 Ca 0.05 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 2kpp n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpp s ASN 30 N -4.00 3.44 -0.13 1.61 3.04 -1.26 0.08 114.94 117.72 2kpp s ASN 30 Ca 0.00 -0.54 -0.04 0.00 0.04 0.00 0.00 52.86 52.32 2kpp s ASN 30 Cb 0.00 -0.41 0.06 0.00 -1.54 0.00 0.00 41.25 39.36 2kpp s ASN 30 CO 0.00 0.25 0.20 -0.70 -3.04 0.00 0.00 177.10 173.82 2kpp s GLU 31 N -1.40 0.11 -0.07 0.43 2.56 0.06 -4.99 118.70 115.40 2kpp s GLU 31 Ca 0.13 0.53 0.02 0.00 0.00 0.00 0.00 54.97 55.65 2kpp s GLU 31 Cb -0.10 -0.45 0.01 0.00 2.00 0.00 0.00 34.13 35.59 2kpp s GLU 31 CO 0.04 -0.39 -0.14 -0.65 -0.56 0.00 0.00 175.26 173.56 2kpp s GLN 32 N 2.34 1.87 0.03 4.30 -0.21 -1.26 -0.07 119.66 126.65 2kpp s GLN 32 Ca 0.03 -0.47 -0.02 0.00 0.02 0.00 0.00 55.36 54.92 2kpp s GLN 32 Cb -0.13 -1.52 -0.02 0.00 1.00 0.00 0.00 33.01 32.34 2kpp s GLN 32 CO -0.08 0.04 0.02 -0.59 -2.12 0.00 0.00 175.29 172.56 2kpp s PHE 33 N 0.64 0.27 -0.25 0.91 -0.71 -1.03 -5.04 117.98 112.77 2kpp s PHE 33 Ca -0.15 -0.59 -0.04 0.00 -1.04 0.00 0.00 56.93 55.12 2kpp s PHE 33 Cb -0.16 -0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.46 2kpp s PHE 33 CO 0.04 -0.28 -0.02 0.99 -1.34 0.00 0.00 175.22 174.61 2kpp s THR 34 N -2.19 3.30 -0.53 -4.49 2.01 -1.26 -1.46 115.64 111.02 2kpp s THR 34 Ca -0.09 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 2kpp s THR 34 Cb -0.04 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.87 2kpp s THR 34 CO -0.03 0.24 1.17 -0.63 -0.69 0.00 0.00 174.62 174.68 2kpp s ILE 35 N 1.42 4.11 -0.40 1.82 1.01 0.44 -4.92 121.20 124.69 2kpp s ILE 35 Ca 0.03 1.08 -0.15 0.00 0.00 0.00 0.00 60.65 61.61 2kpp s ILE 35 Cb -0.16 -4.66 0.01 0.00 0.01 0.00 0.00 42.46 37.66 2kpp s ILE 35 CO -0.02 -1.17 0.29 -0.54 0.00 0.00 0.00 174.94 173.50 2kpp s LYS 36 N 4.70 3.09 0.00 2.79 1.02 -1.26 -1.16 119.74 128.91 2kpp s LYS 36 Ca 0.46 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.52 2kpp s LYS 36 Cb -0.07 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 2kpp s LYS 36 CO 0.29 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 2kpp n GLY 37 N 5.15 0.27 3.07 -3.33 0.00 -0.88 -5.00 105.19 104.47 2kpp n GLY 37 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2kpp n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kpp s LYS 38 N 0.15 2.81 2.18 1.61 2.47 -1.06 -4.98 119.74 122.92 2kpp s LYS 38 Ca 0.00 -2.91 0.00 0.00 -1.56 0.00 0.00 55.97 51.50 2kpp s LYS 38 Cb 0.00 -3.77 0.00 0.00 -1.46 0.00 0.00 37.83 32.60 2kpp s LYS 38 CO 0.00 -1.22 0.00 0.41 0.16 0.00 0.00 175.35 174.70 2kpp n GLY 39 N 2.86 0.40 0.22 5.54 0.00 -1.26 -0.37 105.19 112.58 2kpp n GLY 39 Ca 0.14 0.66 0.02 0.00 0.00 0.00 0.00 46.02 46.84 2kpp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpp h ALA 40 N -0.62 1.42 -1.09 4.61 0.00 -2.03 -3.40 119.26 118.15 2kpp h ALA 40 Ca 0.00 -0.27 -0.44 0.00 0.00 0.00 0.00 54.91 54.20 2kpp h ALA 40 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2kpp h ALA 40 CO 0.00 0.41 1.09 -0.65 0.00 0.00 0.00 179.25 180.10 2kpp s GLN 41 N -4.49 2.83 0.44 0.00 -0.21 0.50 -4.82 119.66 113.92 2kpp s GLN 41 Ca -0.05 -0.17 0.03 0.00 0.02 0.00 0.00 55.36 55.20 2kpp s GLN 41 Cb 0.15 -4.81 -0.03 0.00 1.00 0.00 0.00 33.01 29.32 2kpp s GLN 41 CO 0.74 -2.83 0.06 1.52 -2.12 0.00 0.00 175.29 172.65 2kpp s TYR 42 N 8.36 1.90 -0.29 0.91 1.13 -1.26 -2.07 117.35 126.03 2kpp s TYR 42 Ca 0.61 -1.07 -0.05 0.00 -1.41 0.00 0.00 57.07 55.15 2kpp s TYR 42 Cb -0.07 -1.41 0.15 0.00 -1.10 0.00 0.00 41.96 39.53 2kpp s TYR 42 CO 0.06 0.01 0.59 1.21 -2.51 0.00 0.00 175.55 174.90 2kpp s ASN 43 N -3.72 -1.07 -0.42 -0.18 3.84 -0.31 -4.35 114.94 108.73 2kpp s ASN 43 Ca 0.18 1.09 -0.22 0.00 0.21 0.00 0.00 52.86 54.13 2kpp s ASN 43 Cb 0.03 2.07 0.02 0.00 -0.55 0.00 0.00 41.25 42.82 2kpp s ASN 43 CO 0.10 -0.25 0.70 -0.22 -2.79 0.00 0.00 177.10 174.65 2kpp s LEU 44 N 2.83 4.32 -0.10 3.21 2.96 0.06 -0.42 118.68 131.55 2kpp s LEU 44 Ca 0.08 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 2kpp s LEU 44 Cb -0.14 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 2kpp s LEU 44 CO -0.19 -0.78 0.24 -0.04 -1.32 0.00 0.00 176.35 174.26 2kpp s MET 45 N 2.99 3.73 -0.18 1.98 -1.94 -0.53 0.05 119.30 125.39 2kpp s MET 45 Ca 0.26 0.05 0.01 0.00 -1.71 0.00 0.00 55.69 54.30 2kpp s MET 45 Cb -0.13 -3.24 0.03 0.00 2.01 0.00 0.00 34.83 33.50 2kpp s MET 45 CO 0.19 0.65 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.73 2kpp s GLU 46 N -0.77 2.19 -0.33 2.03 2.12 0.16 -2.47 118.70 121.64 2kpp s GLU 46 Ca 0.17 -0.76 -0.08 0.00 0.36 0.00 0.00 54.97 54.66 2kpp s GLU 46 Cb -0.13 -2.34 0.02 0.00 0.26 0.00 0.00 34.13 31.94 2kpp s GLU 46 CO 0.06 -0.35 0.12 0.08 -0.54 0.00 0.00 175.26 174.63 2kpp s VAL 47 N 1.41 4.10 -0.43 3.70 1.01 0.89 -1.23 120.40 129.86 2kpp s VAL 47 Ca 0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2kpp s VAL 47 Cb -0.15 -3.21 0.10 0.00 0.00 0.00 0.00 36.38 33.12 2kpp s VAL 47 CO -0.09 -0.07 0.26 -0.62 0.00 0.00 0.00 175.10 174.58 2kpp s ASP 48 N 1.49 5.51 1.46 3.32 2.15 0.87 -0.76 116.67 130.72 2kpp s ASP 48 Ca 0.01 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.20 2kpp s ASP 48 Cb -0.18 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 2kpp s ASP 48 CO 0.04 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 2kpp n GLY 49 N 4.80 1.03 0.78 2.66 0.00 0.11 -1.95 105.19 112.63 2kpp n GLY 49 Ca -0.07 0.40 0.08 0.00 0.00 0.00 0.00 46.02 46.43 2kpp n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kpp n GLU 50 N 0.00 2.85 -4.48 1.61 1.02 -1.25 -4.50 120.64 115.88 2kpp n GLU 50 Ca 0.00 -2.62 -0.21 0.00 -0.02 0.00 0.00 57.16 54.31 2kpp n GLU 50 Cb 0.00 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 29.60 2kpp n GLU 50 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kpp s ARG 51 N -2.36 0.98 0.07 3.49 1.70 -0.82 -4.64 118.95 117.36 2kpp s ARG 51 Ca 0.36 -0.55 0.05 0.00 -0.47 0.00 0.00 55.73 55.13 2kpp s ARG 51 Cb 0.28 -0.95 -0.03 0.00 -0.57 0.00 0.00 34.95 33.68 2kpp s ARG 51 CO 0.10 0.25 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.94 2kpp s ILE 52 N -0.48 1.08 0.25 4.99 2.07 0.06 -0.09 121.20 129.08 2kpp s ILE 52 Ca 0.04 -1.25 -0.18 0.00 -1.41 0.00 0.00 60.65 57.84 2kpp s ILE 52 Cb -0.06 -1.03 0.02 0.00 0.13 0.00 0.00 42.46 41.51 2kpp s ILE 52 CO 0.00 -0.20 0.62 0.00 -1.91 0.00 0.00 174.94 173.45 2kpp s ARG 53 N -1.65 1.64 -0.38 3.50 1.70 -0.37 -0.65 118.95 122.74 2kpp s ARG 53 Ca -0.02 -1.03 -0.25 0.00 -0.47 0.00 0.00 55.73 53.96 2kpp s ARG 53 Cb -0.10 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 2kpp s ARG 53 CO 0.02 -0.73 0.87 0.42 -1.08 0.00 0.00 175.30 174.80 2kpp s ILE 54 N -3.94 4.62 -0.06 4.99 1.01 -1.26 -0.66 121.20 125.90 2kpp s ILE 54 Ca 0.14 0.99 -0.27 0.00 0.00 0.00 0.00 60.65 61.51 2kpp s ILE 54 Cb -0.04 -4.31 -0.22 0.00 0.01 0.00 0.00 42.46 37.90 2kpp s ILE 54 CO 0.05 -0.56 1.08 0.50 0.00 0.00 0.00 174.94 176.01 2kpp h LYS 55 N 8.59 0.03 -1.87 2.79 3.64 -0.70 -3.37 116.57 125.69 2kpp h LYS 55 Ca -0.24 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2kpp h LYS 55 Cb 1.08 0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.68 2kpp h LYS 55 CO 0.96 0.71 0.22 -2.00 -2.27 0.00 0.00 179.45 177.08 2kpp s GLU 56 N -3.45 0.71 0.06 1.90 2.12 -1.12 -5.00 118.70 113.92 2kpp s GLU 56 Ca -0.17 0.89 -0.04 0.00 0.36 0.00 0.00 54.97 56.01 2kpp s GLU 56 Cb 0.00 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.73 2kpp s GLU 56 CO 0.69 -0.09 0.22 -0.40 -0.54 0.00 0.00 175.26 175.14 2kpp n ASP 57 N 2.75 -0.45 -0.34 -1.70 5.75 -1.26 -0.76 116.55 120.55 2kpp n ASP 57 Ca -0.14 -1.27 0.08 0.00 -0.01 0.00 0.00 54.79 53.45 2kpp n ASP 57 Cb 0.56 0.74 0.15 0.00 -1.03 0.00 0.00 41.12 41.54 2kpp n ASP 57 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2kpp n ASN 58 N -0.88 1.95 -4.69 -1.12 6.94 -1.26 -5.03 115.26 111.17 2kpp n ASN 58 Ca -0.01 -3.30 -0.42 0.00 -0.02 0.00 0.00 54.58 50.82 2kpp n ASN 58 Cb 0.14 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.08 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2kpp s SER 59 N -2.89 7.14 0.24 0.53 0.15 -1.26 -4.91 113.70 112.70 2kpp s SER 59 Ca 0.33 1.72 0.16 0.00 0.70 0.00 0.00 55.95 58.86 2kpp s SER 59 Cb 0.30 -2.56 0.85 0.00 -1.71 0.00 0.00 66.02 62.90 2kpp s SER 59 CO -0.02 -0.51 1.47 -0.81 1.20 0.00 0.00 173.24 174.57 2kpp n PRO 60 N 4.96 0.10 0.08 5.44 -0.04 -1.26 -1.07 135.00 143.21 2kpp n PRO 60 Ca 0.10 0.60 -0.23 0.00 -0.04 0.00 0.00 63.50 63.92 2kpp n PRO 60 Cb 0.47 -1.85 -0.15 0.00 -0.04 0.00 0.00 33.50 31.93 2kpp n PRO 60 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2kpp h ASP 61 N 0.00 0.62 -4.30 3.54 5.19 -1.97 -3.48 116.42 116.02 2kpp h ASP 61 Ca 0.00 -0.92 -0.34 0.00 -0.62 0.00 0.00 57.03 55.15 2kpp h ASP 61 Cb 0.04 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 2kpp h ASP 61 CO 0.00 1.71 -0.47 0.00 -3.12 0.00 0.00 179.24 177.36 2kpp n GLN 62 N -3.73 -3.02 -0.06 3.56 1.13 -0.23 -4.88 117.38 110.14 2kpp n GLN 62 Ca -0.22 0.68 -0.07 0.00 -1.94 0.00 0.00 57.00 55.45 2kpp n GLN 62 Cb 1.03 -5.37 -0.01 0.00 0.11 0.00 0.00 30.24 26.00 2kpp n GLN 62 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2kpp h VAL 63 N -0.55 0.52 -0.40 5.09 2.07 -1.87 -1.41 116.25 119.69 2kpp h VAL 63 Ca -0.40 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2kpp h VAL 63 Cb 1.29 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2kpp h VAL 63 CO 0.47 0.00 0.11 1.23 0.02 0.00 0.00 177.57 179.40 2kpp h GLY 64 N -0.15 0.63 0.95 2.17 0.00 -1.90 0.17 103.07 104.94 2kpp h GLY 64 Ca 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2kpp h GLY 64 CO -0.35 0.31 0.16 -2.08 0.00 0.00 0.00 176.54 174.57 2kpp h VAL 65 N 0.58 1.21 -0.31 4.60 2.07 -1.45 -0.89 116.25 122.05 2kpp h VAL 65 Ca 0.14 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 2kpp h VAL 65 Cb 0.20 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2kpp h VAL 65 CO -0.01 0.23 -0.38 0.11 0.02 0.00 0.00 177.57 177.55 2kpp h LYS 66 N 0.54 0.74 -0.32 1.57 6.56 -1.05 -3.18 116.57 121.43 2kpp h LYS 66 Ca 0.14 -0.38 -0.02 0.00 -1.06 0.00 0.00 60.65 59.34 2kpp h LYS 66 Cb 0.21 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 2kpp h LYS 66 CO -0.01 0.99 0.12 0.52 -2.06 0.00 0.00 179.45 179.02 2kpp h MET 67 N 0.61 0.45 0.00 3.15 2.86 -0.37 -3.48 114.93 118.15 2kpp h MET 67 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kpp h MET 67 Cb 0.93 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2kpp h MET 67 CO 0.08 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.85 2kpp n GLY 68 N -1.24 0.51 3.66 8.32 0.00 -0.37 -4.77 105.19 111.29 2kpp n GLY 68 Ca 0.02 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2kpp n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpp s TRP 69 N 0.00 3.36 0.16 1.61 0.52 -1.26 -4.49 118.94 118.84 2kpp s TRP 69 Ca 0.00 1.05 0.06 0.00 0.02 0.00 0.00 56.10 57.23 2kpp s TRP 69 Cb 0.00 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 2kpp s TRP 69 CO 0.00 -0.26 0.05 0.15 0.02 0.00 0.00 176.95 176.92 2kpp s LYS 70 N 2.24 2.61 0.00 4.98 -0.14 0.17 -4.92 119.74 124.69 2kpp s LYS 70 Ca 0.32 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2kpp s LYS 70 Cb -0.16 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 2kpp s LYS 70 CO 0.10 0.47 0.09 -1.13 -0.76 0.00 0.00 175.35 174.13 2kpp n SER 71 N -0.15 0.00 -4.24 2.83 3.41 -1.26 -0.76 113.62 113.45 2kpp n SER 71 Ca -0.09 -0.71 -0.15 0.00 -0.26 0.00 0.00 58.87 57.67 2kpp n SER 71 Cb 0.55 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 2kpp n SER 71 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kpp s LYS 72 N 0.00 1.03 -0.38 4.33 -0.14 -1.26 -4.91 119.74 118.42 2kpp s LYS 72 Ca 0.00 -1.40 -0.28 0.00 -1.36 0.00 0.00 55.97 52.93 2kpp s LYS 72 Cb 0.00 -0.64 -0.02 0.00 -1.68 0.00 0.00 37.83 35.49 2kpp s LYS 72 CO 0.00 0.09 1.82 0.00 -0.76 0.00 0.00 175.35 176.50 2kpp s ALA 73 N -3.10 2.73 0.00 5.17 0.00 -1.26 -2.29 121.76 123.01 2kpp s ALA 73 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2kpp s ALA 73 Cb 0.01 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2kpp s ALA 73 CO 0.01 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.30 2kpp n GLY 74 N 5.48 1.27 3.58 0.00 0.00 0.05 -4.94 105.19 110.62 2kpp n GLY 74 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2kpp n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpp s ASP 75 N -0.77 5.90 -0.00 1.61 1.01 -0.97 -4.88 116.67 118.57 2kpp s ASP 75 Ca 0.00 0.68 0.06 0.00 0.71 0.00 0.00 52.55 54.00 2kpp s ASP 75 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2kpp s ASP 75 CO 0.00 -1.81 -0.18 0.42 0.21 0.00 0.00 175.17 173.80 2kpp s THR 76 N 6.88 2.74 -0.08 -1.27 -4.23 -1.26 -1.57 115.64 116.85 2kpp s THR 76 Ca 0.65 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.18 2kpp s THR 76 Cb -0.15 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 2kpp s THR 76 CO 0.28 0.47 -0.19 -0.63 -0.54 0.00 0.00 174.62 174.00 2kpp s ILE 77 N -0.80 2.56 -0.25 2.99 -1.09 0.76 -4.98 121.20 120.39 2kpp s ILE 77 Ca 0.13 -0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 57.64 2kpp s ILE 77 Cb -0.10 -2.00 0.01 0.00 -1.58 0.00 0.00 42.46 38.79 2kpp s ILE 77 CO 0.02 0.56 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.58 2kpp s VAL 78 N -0.07 3.34 -0.61 2.92 1.01 -1.26 -1.52 120.40 124.22 2kpp s VAL 78 Ca -0.05 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2kpp s VAL 78 Cb -0.14 -2.62 0.26 0.00 0.00 0.00 0.00 36.38 33.88 2kpp s VAL 78 CO 0.04 0.28 0.76 0.00 0.00 0.00 0.00 175.10 176.18 2kpp h LEU 80 N 3.96 -0.34 -2.10 0.00 3.38 -1.95 -1.06 115.31 117.21 2kpp h LEU 80 Ca 0.18 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2kpp h LEU 80 Cb 0.66 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2kpp h LEU 80 CO 0.80 -0.12 0.33 -0.65 0.09 0.00 0.00 178.44 178.89 2kpp h PRO 81 N -0.01 0.00 -0.02 1.13 0.11 -1.94 0.32 132.00 131.59 2kpp h PRO 81 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2kpp h PRO 81 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2kpp h PRO 81 CO -0.35 0.00 -0.13 0.72 -0.21 0.00 0.00 178.00 178.03 2kpp n HIS 82 N -3.60 0.00 -2.51 0.65 8.25 -0.68 -4.98 115.22 112.35 2kpp n HIS 82 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 2kpp n HIS 82 Cb 0.46 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.57 2kpp n HIS 82 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kpp n LYS 83 N 0.48 -2.28 -4.71 -0.41 5.02 0.10 -4.82 118.16 111.54 2kpp n LYS 83 Ca 0.08 0.99 -0.33 0.00 -2.02 0.00 0.00 58.31 57.03 2kpp n LYS 83 Cb 0.37 -5.69 -0.12 0.00 -0.02 0.00 0.00 35.03 29.56 2kpp n LYS 83 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kpp s VAL 84 N -3.06 3.40 0.01 -0.18 1.01 -0.75 -1.07 120.40 119.76 2kpp s VAL 84 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2kpp s VAL 84 Cb -0.02 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2kpp s VAL 84 CO 0.07 0.57 -0.06 0.12 0.00 0.00 0.00 175.10 175.80 2kpp s PHE 85 N -0.46 0.55 -0.11 5.22 5.36 0.11 -0.84 117.98 127.80 2kpp s PHE 85 Ca 0.06 -0.22 -0.00 0.00 -0.96 0.00 0.00 56.93 55.81 2kpp s PHE 85 Cb -0.12 -0.34 0.02 0.00 -0.34 0.00 0.00 43.02 42.24 2kpp s PHE 85 CO 0.02 -0.03 -0.08 0.08 -1.46 0.00 0.00 175.22 173.75 2kpp s VAL 86 N -0.51 1.04 -0.20 3.12 1.01 -0.57 -0.22 120.40 124.08 2kpp s VAL 86 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2kpp s VAL 86 Cb -0.04 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2kpp s VAL 86 CO -0.00 0.37 -0.16 -1.83 0.00 0.00 0.00 175.10 173.48 2kpp s GLU 87 N 1.69 2.59 -0.36 2.72 1.03 -0.02 -0.17 118.70 126.18 2kpp s GLU 87 Ca 0.05 -0.91 -0.22 0.00 0.03 0.00 0.00 54.97 53.91 2kpp s GLU 87 Cb -0.13 -2.56 0.01 0.00 -0.80 0.00 0.00 34.13 30.65 2kpp s GLU 87 CO -0.08 -0.33 0.72 0.42 -1.33 0.00 0.00 175.26 174.67 2kpp s ILE 88 N 1.29 4.80 0.45 1.83 1.01 -0.61 -1.19 121.20 128.78 2kpp s ILE 88 Ca 0.01 0.77 0.07 0.00 0.00 0.00 0.00 60.65 61.49 2kpp s ILE 88 Cb -0.15 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 2kpp s ILE 88 CO -0.10 -0.38 0.33 -1.59 0.00 0.00 0.00 174.94 173.19 2kpp s LYS 89 N 2.94 2.36 0.10 2.79 -2.85 -0.48 -0.77 119.74 123.83 2kpp s LYS 89 Ca 0.29 -1.77 0.06 0.00 -1.00 0.00 0.00 55.97 53.55 2kpp s LYS 89 Cb -0.14 -2.18 -0.04 0.00 -2.06 0.00 0.00 37.83 33.42 2kpp s LYS 89 CO 0.16 -0.29 -0.06 0.45 0.10 0.00 0.00 175.35 175.71 2kpp s SER 90 N -4.11 4.66 0.00 0.03 0.15 -1.26 -0.22 113.70 112.96 2kpp s SER 90 Ca 0.42 -0.31 0.25 0.00 0.70 0.00 0.00 55.95 57.01 2kpp s SER 90 Cb -0.01 -0.98 1.07 0.00 -1.71 0.00 0.00 66.02 64.39 2kpp s SER 90 CO 0.24 0.17 1.80 0.35 1.20 0.00 0.00 173.24 177.00 2kpp n THR 91 N 0.59 0.29 -0.89 6.45 -2.24 -0.19 -4.88 114.28 113.41 2kpp n THR 91 Ca -0.12 0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.45 2kpp n THR 91 Cb 0.52 -0.65 0.22 0.00 -2.10 0.00 0.00 70.33 68.32 2kpp n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kpp s GLN 92 N -2.96 -0.30 0.12 -0.78 -2.07 -1.26 -5.03 119.66 107.37 2kpp s GLN 92 Ca 0.13 0.61 -0.22 0.00 -1.82 0.00 0.00 55.36 54.06 2kpp s GLN 92 Cb 0.16 -1.64 -0.07 0.00 -1.09 0.00 0.00 33.01 30.37 2kpp s GLN 92 CO 0.45 -3.25 0.68 0.15 -1.32 0.00 0.00 175.29 171.99 2kpp s LYS 93 N -4.75 4.39 0.30 9.60 -0.14 -1.26 -5.08 119.74 122.81 2kpp s LYS 93 Ca 0.67 0.96 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 2kpp s LYS 93 Cb -0.21 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.66 2kpp s LYS 93 CO 0.61 0.60 0.34 0.34 -0.76 0.00 0.00 175.35 176.48 2kpp s ASP 94 N -1.10 0.96 -0.07 2.83 -1.08 -1.26 -5.08 116.67 111.88 2kpp s ASP 94 Ca 0.33 -1.52 0.15 0.00 -0.52 0.00 0.00 52.55 50.98 2kpp s ASP 94 Cb -0.21 0.57 -0.22 0.00 -1.46 0.00 0.00 42.92 41.59 2kpp s ASP 94 CO 0.23 -1.12 0.24 -0.24 0.52 0.00 0.00 175.17 174.81 2kpp n SER 95 N -1.16 1.36 -4.80 -0.34 2.88 -1.26 -5.01 113.62 105.28 2kpp n SER 95 Ca 0.03 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.20 2kpp n SER 95 Cb 0.63 1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 65.45 2kpp n SER 95 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2kpp s LYS 96 N -2.84 4.39 -0.21 -1.46 -2.85 -1.26 -5.07 119.74 110.43 2kpp s LYS 96 Ca -0.06 1.04 -0.05 0.00 -1.00 0.00 0.00 55.97 55.89 2kpp s LYS 96 Cb 0.08 -2.91 -0.02 0.00 -2.06 0.00 0.00 37.83 32.92 2kpp s LYS 96 CO 0.64 0.39 -0.01 0.16 0.10 0.00 0.00 175.35 176.64 2kpp s ASP 97 N -1.57 4.68 -0.09 0.03 -4.77 -1.26 -5.02 116.67 108.66 2kpp s ASP 97 Ca 0.44 -0.27 -0.17 0.00 -3.30 0.00 0.00 52.55 49.25 2kpp s ASP 97 Cb -0.18 -1.81 -0.28 0.00 -1.09 0.00 0.00 42.92 39.56 2kpp s ASP 97 CO 0.22 0.02 0.62 1.55 0.70 0.00 0.00 175.17 178.28 2kpp h PRO 98 N 7.80 0.25 -6.48 2.11 0.13 -2.05 -3.48 132.00 130.29 2kpp h PRO 98 Ca -0.38 -0.42 -0.46 0.00 -0.87 0.00 0.00 66.00 63.87 2kpp h PRO 98 Cb 1.17 0.16 0.01 0.00 0.13 0.00 0.00 31.00 32.47 2kpp h PRO 98 CO 0.60 1.20 -0.24 0.16 -0.23 0.00 0.00 178.00 179.50 2kpp s ASP 99 N -7.01 6.06 -0.06 1.44 -4.77 -1.26 -5.06 116.67 106.01 2kpp s ASP 99 Ca -0.19 0.17 -0.08 0.00 -3.30 0.00 0.00 52.55 49.15 2kpp s ASP 99 Cb 0.04 -1.63 -0.03 0.00 -1.09 0.00 0.00 42.92 40.21 2kpp s ASP 99 CO 0.77 -0.43 -0.16 0.35 0.70 0.00 0.00 175.17 176.40 2kpp n THR 100 N -1.79 1.02 -3.33 2.11 -2.24 -1.26 -4.99 114.28 103.81 2kpp n THR 100 Ca -0.02 0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.63 2kpp n THR 100 Cb 0.57 -1.87 -0.07 0.00 -2.10 0.00 0.00 70.33 66.86 2kpp n THR 100 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kpp s ASP 101 N -5.51 6.47 -0.13 3.42 1.11 -1.26 -5.07 116.67 115.70 2kpp s ASP 101 Ca -0.14 0.56 -0.19 0.00 0.18 0.00 0.00 52.55 52.97 2kpp s ASP 101 Cb 0.02 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 2kpp s ASP 101 CO 0.20 -0.14 0.50 -0.22 1.18 0.00 0.00 175.17 176.70 2kpp s LEU 102 N 1.55 4.25 -0.31 1.23 2.96 -1.26 -5.06 118.68 122.03 2kpp s LEU 102 Ca 0.21 0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 54.82 2kpp s LEU 102 Cb -0.15 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 2kpp s LEU 102 CO 0.09 -0.05 0.18 -0.63 -1.32 0.00 0.00 176.35 174.62 2kpp s ILE 103 N 0.86 4.95 -0.19 6.68 -1.09 -1.26 -5.08 121.20 126.07 2kpp s ILE 103 Ca 0.26 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.46 2kpp s ILE 103 Cb -0.15 -3.48 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 2kpp s ILE 103 CO 0.11 0.10 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.09 2kpp s VAL 104 N 1.68 2.62 -0.71 2.92 1.01 -1.26 -5.03 120.40 121.63 2kpp s VAL 104 Ca 0.06 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2kpp s VAL 104 Cb -0.17 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2kpp s VAL 104 CO 0.08 0.50 1.60 -2.16 0.00 0.00 0.00 175.10 175.13 2kpp s PRO 105 N 1.23 2.91 -0.16 2.72 0.04 -1.26 -4.81 135.00 135.67 2kpp s PRO 105 Ca 0.03 0.08 0.14 0.00 0.04 0.00 0.00 61.00 61.29 2kpp s PRO 105 Cb -0.14 -4.42 0.36 0.00 0.04 0.00 0.00 34.50 30.34 2kpp s PRO 105 CO -0.07 -2.51 1.18 0.27 0.04 0.00 0.00 177.00 175.92 2kpp n ASN 106 N 11.22 1.73 -4.74 6.66 0.23 -1.26 -5.06 115.26 124.04 2kpp n ASN 106 Ca 0.16 -3.39 -0.41 0.00 -0.53 0.00 0.00 54.58 50.40 2kpp n ASN 106 Cb 0.50 -0.46 -0.03 0.00 -2.08 0.00 0.00 39.78 37.71 2kpp n ASN 106 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kpp s LEU 107 N -2.65 4.42 -0.02 -4.53 2.01 -1.26 -5.04 118.68 111.62 2kpp s LEU 107 Ca 0.34 2.38 0.07 0.00 0.01 0.00 0.00 54.13 56.93 2kpp s LEU 107 Cb 0.33 -3.61 -0.02 0.00 0.01 0.00 0.00 46.19 42.90 2kpp s LEU 107 CO -0.05 -0.50 -0.24 -1.61 1.01 0.00 0.00 176.35 174.96 2kpp s GLU 108 N -0.17 1.96 -0.14 1.70 2.02 -1.26 -5.13 118.70 117.68 2kpp s GLU 108 Ca 0.56 -0.86 -0.11 0.00 0.02 0.00 0.00 54.97 54.58 2kpp s GLU 108 Cb -0.36 -1.89 0.04 0.00 0.10 0.00 0.00 34.13 32.02 2kpp s GLU 108 CO 0.38 0.52 0.35 -1.01 0.02 0.00 0.00 175.26 175.52 2kpp s HIS 109 N -0.56 -0.43 -0.01 1.61 3.76 -1.26 -5.18 115.29 113.22 2kpp s HIS 109 Ca 0.09 1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 55.90 2kpp s HIS 109 Cb -0.09 0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.76 2kpp s HIS 109 CO -0.01 -0.23 0.23 -3.38 -0.85 0.00 0.00 174.74 170.50 2kpp s HIS 110 N 0.60 -0.08 0.01 1.40 -3.43 -1.26 -5.17 115.29 107.35 2kpp s HIS 110 Ca -0.03 0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.35 2kpp s HIS 110 Cb -0.05 0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.12 2kpp s HIS 110 CO -0.04 -0.33 -0.06 -1.01 -2.00 0.00 0.00 174.74 171.31 2kpp s HIS 111 N -1.26 0.54 -0.83 0.38 3.76 -1.26 -5.10 115.29 111.52 2kpp s HIS 111 Ca -0.13 -0.17 -0.21 0.00 -0.15 0.00 0.00 55.06 54.40 2kpp s HIS 111 Cb -0.06 -0.34 0.10 0.00 1.11 0.00 0.00 32.58 33.39 2kpp s HIS 111 CO 0.03 -0.02 1.10 -1.01 -0.85 0.00 0.00 174.74 173.98 2kpp s HIS 112 N -0.37 2.87 0.68 1.40 3.76 -1.26 -5.03 115.29 117.34 2kpp s HIS 112 Ca -0.00 -0.98 -0.02 0.00 -0.15 0.00 0.00 55.06 53.91 2kpp s HIS 112 Cb -0.04 -4.34 0.09 0.00 1.11 0.00 0.00 32.58 29.41 2kpp s HIS 112 CO -0.00 -1.61 0.95 -1.01 -0.85 0.00 0.00 174.74 172.22 2kpp s HIS 113 N 3.51 2.13 0.00 1.40 3.76 -1.26 -5.40 115.29 119.42 2kpp s HIS 113 Ca 0.30 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 2kpp s HIS 113 Cb -0.09 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2kpp s HIS 113 CO -0.02 -1.47 0.00 0.72 -0.85 0.00 0.00 174.74 173.13