#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 2.32 -0.92 0.03 3.01 -1.26 -5.08 119.74 117.85 2kpp s LYS 2 Ca 0.00 -0.86 -0.19 0.00 -1.01 0.00 0.00 55.97 53.90 2kpp s LYS 2 Cb 0.00 -2.37 0.12 0.00 -1.01 0.00 0.00 37.83 34.57 2kpp s LYS 2 CO 0.00 0.56 1.15 1.21 0.51 0.00 0.00 175.35 178.78 2kpp s ASN 3 N -1.58 6.58 -0.17 2.83 3.04 -1.26 -4.97 114.94 119.42 2kpp s ASN 3 Ca 0.17 -1.91 -0.01 0.00 0.04 0.00 0.00 52.86 51.15 2kpp s ASN 3 Cb -0.11 -2.42 0.05 0.00 -1.54 0.00 0.00 41.25 37.23 2kpp s ASN 3 CO 0.08 -1.14 -0.02 -0.89 -3.04 0.00 0.00 177.10 172.09 2kpp s THR 4 N 3.02 0.91 0.00 -5.21 2.01 -1.26 -4.96 115.64 110.15 2kpp s THR 4 Ca 0.33 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.77 2kpp s THR 4 Cb -0.05 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.29 2kpp s THR 4 CO -0.08 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 2kpp n GLY 5 N 4.94 0.10 3.56 4.40 0.00 -1.26 -5.03 105.19 111.89 2kpp n GLY 5 Ca -0.11 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2kpp n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpp s ASP 6 N -2.41 5.18 -0.27 1.61 1.01 -1.26 -4.93 116.67 115.61 2kpp s ASP 6 Ca 0.00 -0.47 -0.29 0.00 0.71 0.00 0.00 52.55 52.50 2kpp s ASP 6 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2kpp s ASP 6 CO 0.00 -2.65 1.42 -1.61 0.21 0.00 0.00 175.17 172.54 2kpp s GLU 7 N 6.99 3.86 0.07 8.23 2.02 -1.26 -4.77 118.70 133.85 2kpp s GLU 7 Ca 0.69 1.40 0.07 0.00 0.02 0.00 0.00 54.97 57.15 2kpp s GLU 7 Cb -0.08 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 30.18 2kpp s GLU 7 CO 0.04 -1.19 -0.19 0.14 0.02 0.00 0.00 175.26 174.07 2kpp s VAL 8 N 4.71 1.55 0.11 2.63 -7.23 -1.26 -1.70 120.40 119.20 2kpp s VAL 8 Ca 0.62 -1.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.51 2kpp s VAL 8 Cb -0.20 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 2kpp s VAL 8 CO 0.26 0.00 -0.17 0.68 -0.31 0.00 0.00 175.10 175.55 2kpp s VAL 9 N -1.03 1.51 -0.29 1.32 -7.23 0.79 -1.41 120.40 114.05 2kpp s VAL 9 Ca 0.05 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 2kpp s VAL 9 Cb -0.09 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2kpp s VAL 9 CO 0.03 -0.21 0.17 0.00 -0.31 0.00 0.00 175.10 174.78 2kpp s ALA 10 N -1.53 3.42 -0.45 1.32 0.00 0.23 -1.23 121.76 123.52 2kpp s ALA 10 Ca 0.06 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 2kpp s ALA 10 Cb -0.08 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 20.63 2kpp s ALA 10 CO 0.04 -0.69 0.52 0.42 0.00 0.00 0.00 175.76 176.05 2kpp s ILE 11 N 1.70 4.99 -0.40 0.00 -1.09 0.24 -1.67 121.20 124.97 2kpp s ILE 11 Ca 0.06 -0.32 -0.18 0.00 -2.23 0.00 0.00 60.65 57.99 2kpp s ILE 11 Cb -0.16 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2kpp s ILE 11 CO 0.09 -0.55 0.49 -0.63 -1.23 0.00 0.00 174.94 173.10 2kpp s ILE 12 N 2.37 5.03 0.06 2.92 1.09 0.38 -2.07 121.20 130.99 2kpp s ILE 12 Ca 0.15 -0.08 0.06 0.00 -1.10 0.00 0.00 60.65 59.68 2kpp s ILE 12 Cb -0.17 -4.04 -0.04 0.00 -1.06 0.00 0.00 42.46 37.15 2kpp s ILE 12 CO 0.14 -0.39 -0.12 -0.94 -0.10 0.00 0.00 174.94 173.53 2kpp s SER 13 N 1.83 4.23 -0.05 3.58 1.04 0.14 -0.86 113.70 123.61 2kpp s SER 13 Ca 0.15 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 2kpp s SER 13 Cb -0.16 -0.80 0.02 0.00 0.10 0.00 0.00 66.02 65.17 2kpp s SER 13 CO 0.14 0.23 0.14 -1.58 0.98 0.00 0.00 173.24 173.15 2kpp s GLN 14 N -1.79 0.16 -0.71 4.02 0.74 0.66 -0.84 119.66 121.89 2kpp s GLN 14 Ca 0.18 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.80 2kpp s GLN 14 Cb -0.11 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.06 2kpp s GLN 14 CO 0.09 -0.03 0.00 0.09 -0.55 0.00 0.00 175.29 174.90 2kpp n ASN 15 N 3.08 -5.52 0.00 6.67 3.02 -0.30 -1.87 115.26 120.34 2kpp n ASN 15 Ca -0.13 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2kpp n ASN 15 Cb 0.59 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 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 0.12 2.24 3.56 7.41 0.00 -1.26 -5.08 105.19 112.18 2kpp n GLY 16 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.75 2.04 -0.10 1.61 -2.85 -0.78 -5.08 119.74 113.82 2kpp s LYS 17 Ca 0.00 -1.07 -0.30 0.00 -1.00 0.00 0.00 55.97 53.60 2kpp s LYS 17 Cb 0.00 -2.25 -0.03 0.00 -2.06 0.00 0.00 37.83 33.48 2kpp s LYS 17 CO 0.00 0.50 1.41 0.08 0.10 0.00 0.00 175.35 177.44 2kpp s VAL 18 N -1.21 3.96 -0.16 1.79 1.01 -1.26 -0.25 120.40 124.28 2kpp s VAL 18 Ca 0.21 1.20 0.19 0.00 0.00 0.00 0.00 61.98 63.57 2kpp s VAL 18 Cb -0.11 -3.77 -0.27 0.00 0.00 0.00 0.00 36.38 32.23 2kpp s VAL 18 CO 0.13 -0.09 0.17 2.30 0.00 0.00 0.00 175.10 177.61 2kpp n ILE 19 N 5.28 1.12 -3.63 2.22 -5.35 -0.04 -4.91 119.36 114.05 2kpp n ILE 19 Ca 0.15 -0.79 -0.15 0.00 -0.27 0.00 0.00 62.75 61.69 2kpp n ILE 19 Cb 0.44 -0.38 -0.07 0.00 -1.74 0.00 0.00 39.64 37.88 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 -2.70 0.83 -0.19 6.28 6.06 -0.91 -5.06 118.95 123.26 2kpp s ARG 20 Ca -0.09 0.64 -0.00 0.00 -2.50 0.00 0.00 55.73 53.77 2kpp s ARG 20 Cb 0.08 0.40 0.05 0.00 0.06 0.00 0.00 34.95 35.53 2kpp s ARG 20 CO 0.85 -0.16 -0.05 -1.21 -2.50 0.00 0.00 175.30 172.22 2kpp s GLU 21 N -0.21 1.46 -0.25 5.12 2.02 -1.26 -0.47 118.70 125.12 2kpp s GLU 21 Ca -0.04 -0.64 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 2kpp s GLU 21 Cb -0.03 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 2kpp s GLU 21 CO 0.04 -0.49 0.05 0.42 0.02 0.00 0.00 175.26 175.30 2kpp s ILE 22 N 1.58 4.11 0.02 -1.63 1.09 -0.67 -4.97 121.20 120.74 2kpp s ILE 22 Ca -0.01 -0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 58.97 2kpp s ILE 22 Cb -0.16 -2.93 -0.07 0.00 -1.06 0.00 0.00 42.46 38.24 2kpp s ILE 22 CO -0.07 0.34 1.63 -2.84 -0.10 0.00 0.00 174.94 173.89 2kpp s PRO 23 N 1.58 4.20 -0.16 2.79 0.02 -1.26 -0.60 135.00 141.57 2kpp s PRO 23 Ca 0.06 2.25 -0.16 0.00 0.02 0.00 0.00 61.00 63.17 2kpp s PRO 23 Cb -0.15 -3.73 -0.12 0.00 0.02 0.00 0.00 34.50 30.52 2kpp s PRO 23 CO 0.02 -0.75 0.14 -0.07 -0.33 0.00 0.00 177.00 176.01 2kpp h LEU 24 N 9.08 0.00 -8.84 -5.54 3.38 -1.55 -3.38 115.31 108.46 2kpp h LEU 24 Ca -0.41 -0.35 -0.56 0.00 0.09 0.00 0.00 57.88 56.65 2kpp h LEU 24 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2kpp h LEU 24 CO 0.93 1.05 1.45 -0.89 0.09 0.00 0.00 178.44 181.07 2kpp s THR 25 N -2.19 3.17 0.00 0.22 2.01 -1.03 -1.15 115.64 116.67 2kpp s THR 25 Ca -0.19 0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2kpp s THR 25 Cb 0.03 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2kpp s THR 25 CO 0.41 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2kpp n GLY 26 N 5.71 0.85 3.57 4.40 0.00 -1.26 -4.82 105.19 113.63 2kpp n GLY 26 Ca 0.28 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 2.09 0.18 1.61 5.04 -0.30 -4.95 115.29 116.96 2kpp s HIS 27 Ca 0.00 0.06 -0.33 0.00 -1.54 0.00 0.00 55.06 53.25 2kpp s HIS 27 Cb 0.00 -4.25 -0.14 0.00 0.04 0.00 0.00 32.58 28.23 2kpp s HIS 27 CO 0.00 -1.68 1.47 0.36 -2.34 0.00 0.00 174.74 172.54 2kpp n LYS 28 N 8.71 1.92 0.00 2.88 2.85 -1.26 -3.35 118.16 129.90 2kpp n LYS 28 Ca 0.40 0.69 0.00 0.00 -1.05 0.00 0.00 58.31 58.35 2kpp n LYS 28 Cb 0.48 -2.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 2kpp n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kpp n GLY 29 N 2.80 -1.44 3.36 2.58 0.00 -1.26 -4.87 105.19 106.37 2kpp n GLY 29 Ca 0.15 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 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 3.32 -0.07 1.61 3.84 -1.26 -1.81 114.94 116.57 2kpp s ASN 30 Ca 0.00 -0.46 -0.03 0.00 0.21 0.00 0.00 52.86 52.58 2kpp s ASN 30 Cb 0.00 -0.43 0.04 0.00 -0.55 0.00 0.00 41.25 40.31 2kpp s ASN 30 CO 0.00 0.30 0.14 -0.70 -2.79 0.00 0.00 177.10 174.04 2kpp s GLU 31 N -0.93 0.04 -0.11 0.43 2.12 -0.44 -4.99 118.70 114.82 2kpp s GLU 31 Ca 0.11 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.91 2kpp s GLU 31 Cb -0.10 -0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 2kpp s GLU 31 CO 0.01 -0.24 -0.20 -0.65 -0.54 0.00 0.00 175.26 173.64 2kpp s GLN 32 N 1.71 3.17 0.01 4.30 -0.21 -1.26 -0.36 119.66 127.02 2kpp s GLN 32 Ca -0.03 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.56 2kpp s GLN 32 Cb -0.12 -2.43 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 2kpp s GLN 32 CO -0.05 0.19 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.66 2kpp s PHE 33 N 0.36 0.45 -0.26 0.91 -0.71 -0.48 -5.00 117.98 113.26 2kpp s PHE 33 Ca -0.16 -0.21 -0.10 0.00 -1.04 0.00 0.00 56.93 55.42 2kpp s PHE 33 Cb -0.17 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 2kpp s PHE 33 CO 0.08 -0.04 0.15 0.99 -1.34 0.00 0.00 175.22 175.05 2kpp s THR 34 N -0.52 5.03 -0.52 -4.49 2.01 -1.26 -1.19 115.64 114.70 2kpp s THR 34 Ca -0.02 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 2kpp s THR 34 Cb -0.04 -3.37 0.06 0.00 0.01 0.00 0.00 72.50 69.16 2kpp s THR 34 CO -0.00 0.30 0.69 -0.63 -0.69 0.00 0.00 174.62 174.29 2kpp s ILE 35 N 1.51 4.78 -0.35 1.82 1.01 0.78 -4.94 121.20 125.80 2kpp s ILE 35 Ca 0.07 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 2kpp s ILE 35 Cb -0.15 -4.36 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 2kpp s ILE 35 CO 0.07 -0.90 0.23 -0.54 0.00 0.00 0.00 174.94 173.81 2kpp s LYS 36 N 2.88 3.29 -0.06 2.79 1.02 -1.26 -0.67 119.74 127.74 2kpp s LYS 36 Ca 0.17 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 2kpp s LYS 36 Cb -0.18 -3.80 -0.01 0.00 -0.52 0.00 0.00 37.83 33.32 2kpp s LYS 36 CO 0.13 -0.53 -0.05 0.78 -0.92 0.00 0.00 175.35 174.76 2kpp h GLY 37 N 8.49 0.00 -6.47 -3.33 0.00 -0.87 -3.47 103.07 97.42 2kpp h GLY 37 Ca -0.30 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.48 2kpp h GLY 37 CO 0.65 0.00 -0.85 0.54 0.00 0.00 0.00 176.54 176.88 2kpp s LYS 38 N -1.43 0.64 1.05 4.80 1.02 -0.99 -4.99 119.74 119.84 2kpp s LYS 38 Ca -0.04 -1.43 0.00 0.00 0.02 0.00 0.00 55.97 54.52 2kpp s LYS 38 Cb 0.01 -1.22 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2kpp s LYS 38 CO 0.06 -1.25 0.00 0.41 -0.92 0.00 0.00 175.35 173.65 2kpp n GLY 39 N 3.78 0.24 0.19 -3.33 0.00 -1.26 -1.10 105.19 103.71 2kpp n GLY 39 Ca 0.16 0.58 0.08 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 -0.77 0.86 -1.40 4.61 0.00 -1.98 -3.41 119.26 117.18 2kpp h ALA 40 Ca 0.00 -0.20 -0.59 0.00 0.00 0.00 0.00 54.91 54.12 2kpp h ALA 40 Cb 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 2kpp h ALA 40 CO 0.00 0.27 1.09 -0.65 0.00 0.00 0.00 179.25 179.97 2kpp s GLN 41 N -3.13 3.36 0.09 0.00 -1.52 -0.26 -4.66 119.66 113.53 2kpp s GLN 41 Ca 0.05 -0.83 -0.06 0.00 -1.95 0.00 0.00 55.36 52.57 2kpp s GLN 41 Cb 0.06 -4.68 -0.02 0.00 -0.22 0.00 0.00 33.01 28.16 2kpp s GLN 41 CO 0.70 -2.07 0.13 1.52 -0.25 0.00 0.00 175.29 175.32 2kpp s TYR 42 N 4.82 0.32 0.03 0.91 1.13 -1.26 -0.18 117.35 123.12 2kpp s TYR 42 Ca 0.36 -0.78 0.05 0.00 -1.41 0.00 0.00 57.07 55.29 2kpp s TYR 42 Cb -0.06 -0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 2kpp s TYR 42 CO 0.03 -0.51 -0.14 -0.80 -2.51 0.00 0.00 175.55 171.61 2kpp s ASN 43 N -2.90 1.68 -0.33 -0.18 -0.87 0.16 -2.69 114.94 109.81 2kpp s ASN 43 Ca 0.08 -0.42 -0.02 0.00 -1.57 0.00 0.00 52.86 50.92 2kpp s ASN 43 Cb 0.06 -0.12 0.06 0.00 -0.02 0.00 0.00 41.25 41.23 2kpp s ASN 43 CO -0.09 0.06 0.06 -0.22 -2.57 0.00 0.00 177.10 174.34 2kpp s LEU 44 N -1.00 4.27 -0.02 0.60 2.96 0.92 -0.16 118.68 126.25 2kpp s LEU 44 Ca 0.02 -1.47 -0.13 0.00 -0.22 0.00 0.00 54.13 52.34 2kpp s LEU 44 Cb -0.07 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2kpp s LEU 44 CO 0.01 -0.33 0.36 -0.04 -1.32 0.00 0.00 176.35 175.02 2kpp s MET 45 N 1.23 3.82 -0.10 1.98 -1.94 -0.33 -0.77 119.30 123.19 2kpp s MET 45 Ca -0.01 0.30 -0.00 0.00 -1.71 0.00 0.00 55.69 54.27 2kpp s MET 45 Cb -0.20 -3.21 0.02 0.00 2.01 0.00 0.00 34.83 33.45 2kpp s MET 45 CO -0.02 0.71 -0.07 -2.00 -0.01 0.00 0.00 175.02 173.63 2kpp s GLU 46 N -1.09 1.37 -0.39 2.03 2.12 0.31 -1.38 118.70 121.67 2kpp s GLU 46 Ca 0.22 -0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 2kpp s GLU 46 Cb -0.16 -1.46 0.04 0.00 0.26 0.00 0.00 34.13 32.82 2kpp s GLU 46 CO 0.12 -0.25 0.22 0.08 -0.54 0.00 0.00 175.26 174.89 2kpp s VAL 47 N 1.67 4.49 -0.39 3.70 1.01 0.51 -1.20 120.40 130.19 2kpp s VAL 47 Ca 0.03 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2kpp s VAL 47 Cb -0.13 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.75 2kpp s VAL 47 CO -0.07 -0.31 0.19 -0.62 0.00 0.00 0.00 175.10 174.29 2kpp s ASP 48 N 1.71 5.42 1.82 3.32 -1.08 0.23 -1.33 116.67 126.76 2kpp s ASP 48 Ca 0.02 -1.48 0.00 0.00 -0.52 0.00 0.00 52.55 50.56 2kpp s ASP 48 Cb -0.20 -1.90 0.00 0.00 -1.46 0.00 0.00 42.92 39.35 2kpp s ASP 48 CO 0.05 -0.46 0.00 0.61 0.52 0.00 0.00 175.17 175.90 2kpp n GLY 49 N 4.81 2.77 2.01 2.66 0.00 -0.75 -2.16 105.19 114.53 2kpp n GLY 49 Ca -0.10 0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 6.97 2.56 -3.66 1.61 1.02 -1.25 -3.75 120.64 124.14 2kpp n GLU 50 Ca 0.00 -3.36 -0.15 0.00 -0.02 0.00 0.00 57.16 53.64 2kpp n GLU 50 Cb 0.00 -2.16 -0.08 0.00 -0.02 0.00 0.00 31.44 29.18 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 -3.55 0.75 0.05 3.49 1.70 -0.92 -4.76 118.95 115.72 2kpp s ARG 51 Ca 0.56 0.43 0.05 0.00 -0.47 0.00 0.00 55.73 56.31 2kpp s ARG 51 Cb 0.46 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 35.17 2kpp s ARG 51 CO 0.03 -0.16 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.43 2kpp s ILE 52 N -0.43 1.20 0.23 4.99 2.07 -0.46 -0.60 121.20 128.21 2kpp s ILE 52 Ca -0.06 -1.14 -0.12 0.00 -1.41 0.00 0.00 60.65 57.93 2kpp s ILE 52 Cb -0.03 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.45 2kpp s ILE 52 CO 0.04 -0.04 0.44 0.00 -1.91 0.00 0.00 174.94 173.46 2kpp s ARG 53 N -1.36 1.48 -0.29 3.50 1.70 -0.34 -0.47 118.95 123.17 2kpp s ARG 53 Ca 0.01 -1.25 -0.08 0.00 -0.47 0.00 0.00 55.73 53.94 2kpp s ARG 53 Cb -0.09 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2kpp s ARG 53 CO 0.02 -0.60 0.12 0.42 -1.08 0.00 0.00 175.30 174.17 2kpp s ILE 54 N -4.02 4.40 0.04 4.99 1.01 -1.26 -0.53 121.20 125.83 2kpp s ILE 54 Ca 0.22 -0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 2kpp s ILE 54 Cb 0.00 -3.21 -0.31 0.00 0.01 0.00 0.00 42.46 38.95 2kpp s ILE 54 CO 0.08 0.12 1.06 0.11 0.00 0.00 0.00 174.94 176.31 2kpp h LYS 55 N 8.30 0.58 -4.12 2.79 1.57 -1.30 -3.39 116.57 121.00 2kpp h LYS 55 Ca -0.33 -0.84 -0.26 0.00 -1.87 0.00 0.00 60.65 57.35 2kpp h LYS 55 Cb 1.15 0.29 -0.25 0.00 0.08 0.00 0.00 32.23 33.49 2kpp h LYS 55 CO 0.60 1.39 -0.73 -2.00 -0.57 0.00 0.00 179.45 178.14 2kpp s GLU 56 N -2.85 0.29 -0.29 3.15 2.56 -1.22 -4.99 118.70 115.36 2kpp s GLU 56 Ca -0.10 -0.32 -0.14 0.00 0.00 0.00 0.00 54.97 54.41 2kpp s GLU 56 Cb 0.05 -0.16 0.10 0.00 2.00 0.00 0.00 34.13 36.12 2kpp s GLU 56 CO 0.93 0.04 0.71 0.34 -0.56 0.00 0.00 175.26 176.71 2kpp s ASP 57 N -0.63 -0.98 -1.05 -1.70 2.15 -1.26 -0.06 116.67 113.15 2kpp s ASP 57 Ca -0.04 1.47 -0.03 0.00 0.43 0.00 0.00 52.55 54.37 2kpp s ASP 57 Cb -0.05 1.71 0.31 0.00 -0.30 0.00 0.00 42.92 44.59 2kpp s ASP 57 CO -0.00 -0.22 1.53 -3.20 -0.17 0.00 0.00 175.17 173.10 2kpp n ASN 58 N 4.70 6.52 -4.19 -0.34 5.15 -1.10 -4.93 115.26 121.07 2kpp n ASN 58 Ca -0.17 -3.48 -0.19 0.00 -0.60 0.00 0.00 54.58 50.15 2kpp n ASN 58 Cb 0.55 -1.22 -0.12 0.00 -0.53 0.00 0.00 39.78 38.46 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2kpp s SER 59 N -1.76 1.81 0.47 1.20 1.04 -1.26 -4.59 113.70 110.60 2kpp s SER 59 Ca 0.33 -0.66 0.18 0.00 0.48 0.00 0.00 55.95 56.27 2kpp s SER 59 Cb 0.08 -0.06 1.12 0.00 0.10 0.00 0.00 66.02 67.26 2kpp s SER 59 CO 0.06 -0.08 2.01 -0.65 0.98 0.00 0.00 173.24 175.56 2kpp h PRO 60 N 4.11 0.00 0.17 4.02 0.11 -1.99 -3.09 132.00 135.33 2kpp h PRO 60 Ca -0.41 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.40 2kpp h PRO 60 Cb 1.19 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 2kpp h PRO 60 CO 0.42 0.17 -1.38 -0.44 -0.21 0.00 0.00 178.00 176.57 2kpp h ASP 61 N 0.00 0.57 -0.91 -2.05 5.19 -1.99 -3.48 116.42 113.76 2kpp h ASP 61 Ca -0.00 -0.64 -0.35 0.00 -0.62 0.00 0.00 57.03 55.42 2kpp h ASP 61 Cb 0.32 -0.19 -0.13 0.00 0.18 0.00 0.00 39.33 39.52 2kpp h ASP 61 CO 0.02 1.50 -0.33 0.00 -3.12 0.00 0.00 179.24 177.32 2kpp n GLN 62 N -3.59 -1.20 -0.36 3.56 1.13 -1.17 -4.89 117.38 110.86 2kpp n GLN 62 Ca -0.13 1.09 -0.01 0.00 -1.94 0.00 0.00 57.00 56.01 2kpp n GLN 62 Cb 1.06 -5.33 0.13 0.00 0.11 0.00 0.00 30.24 26.21 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 0.00 1.24 0.05 5.09 2.07 -1.90 -2.99 116.25 119.81 2kpp h VAL 63 Ca -0.35 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 66.74 2kpp h VAL 63 Cb 1.13 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2kpp h VAL 63 CO 0.51 0.24 -0.36 1.23 0.02 0.00 0.00 177.57 179.21 2kpp h GLY 64 N 1.32 -0.66 1.25 2.17 0.00 -1.90 -2.12 103.07 103.14 2kpp h GLY 64 Ca 0.37 0.43 -0.07 0.00 0.00 0.00 0.00 47.33 48.06 2kpp h GLY 64 CO -0.09 -0.25 0.06 -2.08 0.00 0.00 0.00 176.54 174.18 2kpp h VAL 65 N -0.55 1.25 -0.02 4.60 2.07 -1.76 -2.74 116.25 119.10 2kpp h VAL 65 Ca 0.04 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2kpp h VAL 65 Cb 0.61 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2kpp h VAL 65 CO -0.25 0.36 0.01 0.11 0.02 0.00 0.00 177.57 177.82 2kpp h LYS 66 N 0.86 0.00 -0.72 1.57 1.57 -1.31 -2.15 116.57 116.39 2kpp h LYS 66 Ca 0.17 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2kpp h LYS 66 Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2kpp h LYS 66 CO 0.01 0.00 0.47 0.52 -0.57 0.00 0.00 179.45 179.88 2kpp h MET 67 N 0.00 0.72 0.00 3.15 2.86 -1.07 -3.48 114.93 117.11 2kpp h MET 67 Ca 0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2kpp h MET 67 Cb 0.04 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.53 2kpp h MET 67 CO -0.00 0.48 0.00 0.41 1.06 0.00 0.00 176.91 178.86 2kpp n GLY 68 N -1.45 0.19 3.66 8.32 0.00 -0.81 -4.74 105.19 110.36 2kpp n GLY 68 Ca 0.10 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 3.35 0.22 1.61 0.52 -1.26 -4.37 118.94 119.01 2kpp s TRP 69 Ca 0.00 1.33 0.08 0.00 0.02 0.00 0.00 56.10 57.52 2kpp s TRP 69 Cb 0.00 -3.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 2kpp s TRP 69 CO 0.00 -0.41 0.07 0.15 0.02 0.00 0.00 176.95 176.78 2kpp s LYS 70 N 2.88 2.59 0.00 4.98 -0.14 0.38 -4.94 119.74 125.50 2kpp s LYS 70 Ca 0.40 -1.16 0.00 0.00 -1.36 0.00 0.00 55.97 53.85 2kpp s LYS 70 Cb -0.15 -2.39 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 2kpp s LYS 70 CO 0.08 0.41 0.00 -1.13 -0.76 0.00 0.00 175.35 173.95 2kpp n SER 71 N -0.71 0.00 -4.77 2.83 3.41 -1.26 -1.35 113.62 111.77 2kpp n SER 71 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.14 2kpp n SER 71 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.70 4.63 -0.70 4.33 -0.14 -1.26 -4.95 119.74 120.94 2kpp s LYS 72 Ca 0.00 1.28 -0.26 0.00 -1.36 0.00 0.00 55.97 55.63 2kpp s LYS 72 Cb 0.00 -3.11 -0.08 0.00 -1.68 0.00 0.00 37.83 32.96 2kpp s LYS 72 CO 0.00 0.46 2.21 0.00 -0.76 0.00 0.00 175.35 177.26 2kpp s ALA 73 N -1.32 1.42 0.00 5.17 0.00 -1.26 -1.67 121.76 124.10 2kpp s ALA 73 Ca 0.42 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2kpp s ALA 73 Cb -0.22 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.44 2kpp s ALA 73 CO 0.27 -4.93 0.00 0.41 0.00 0.00 0.00 175.76 171.51 2kpp n GLY 74 N 6.41 0.71 3.68 0.00 0.00 -0.18 -4.52 105.19 111.28 2kpp n GLY 74 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 6.53 0.01 1.61 1.01 -0.67 -4.79 116.67 120.36 2kpp s ASP 75 Ca 0.00 2.58 0.07 0.00 0.71 0.00 0.00 52.55 55.91 2kpp s ASP 75 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2kpp s ASP 75 CO 0.00 -0.95 -0.21 0.42 0.21 0.00 0.00 175.17 174.63 2kpp s THR 76 N 3.06 2.52 -0.20 -1.27 -4.23 -1.26 -1.18 115.64 113.08 2kpp s THR 76 Ca 0.78 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 2kpp s THR 76 Cb -0.42 -1.99 0.03 0.00 1.34 0.00 0.00 72.50 71.47 2kpp s THR 76 CO 0.35 0.46 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.09 2kpp s ILE 77 N -0.78 2.17 -0.27 2.99 -1.09 0.18 -4.99 121.20 119.40 2kpp s ILE 77 Ca 0.12 -1.08 -0.06 0.00 -2.23 0.00 0.00 60.65 57.40 2kpp s ILE 77 Cb -0.10 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.77 2kpp s ILE 77 CO 0.02 0.39 0.05 -0.69 -1.23 0.00 0.00 174.94 173.49 2kpp s VAL 78 N 1.26 3.89 -0.62 2.92 1.01 -1.26 -1.48 120.40 126.11 2kpp s VAL 78 Ca 0.02 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2kpp s VAL 78 Cb -0.15 -2.94 0.24 0.00 0.00 0.00 0.00 36.38 33.53 2kpp s VAL 78 CO -0.11 0.18 0.70 0.00 0.00 0.00 0.00 175.10 175.87 2kpp h LEU 80 N 4.30 -0.13 -1.80 0.00 3.38 -1.96 -1.37 115.31 117.74 2kpp h LEU 80 Ca 0.18 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kpp h LEU 80 Cb 0.69 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kpp h LEU 80 CO 0.78 -0.03 0.16 -0.65 0.09 0.00 0.00 178.44 178.79 2kpp h PRO 81 N 0.07 0.00 -0.01 1.13 0.11 -1.94 -0.53 132.00 130.83 2kpp h PRO 81 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2kpp h PRO 81 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2kpp h PRO 81 CO -0.24 0.00 -0.00 0.72 -0.21 0.00 0.00 178.00 178.27 2kpp n HIS 82 N -2.56 0.00 -2.34 0.65 8.25 -0.73 -4.99 115.22 113.49 2kpp n HIS 82 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 2kpp n HIS 82 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 0.34 -1.65 -4.71 -0.41 5.02 -0.21 -4.78 118.16 111.76 2kpp n LYS 83 Ca 0.04 1.03 -0.33 0.00 -2.02 0.00 0.00 58.31 57.02 2kpp n LYS 83 Cb 0.16 -5.67 -0.13 0.00 -0.02 0.00 0.00 35.03 29.37 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 -3.02 3.37 -0.03 -0.18 1.01 -0.78 -1.15 120.40 119.62 2kpp s VAL 84 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2kpp s VAL 84 Cb 0.00 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2kpp s VAL 84 CO 0.00 0.56 0.04 0.12 0.00 0.00 0.00 175.10 175.82 2kpp s PHE 85 N -0.30 0.06 -0.15 5.22 5.36 -0.02 -0.83 117.98 127.31 2kpp s PHE 85 Ca 0.03 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.20 2kpp s PHE 85 Cb -0.13 -0.36 0.02 0.00 -0.34 0.00 0.00 43.02 42.21 2kpp s PHE 85 CO 0.03 -0.14 -0.16 0.08 -1.46 0.00 0.00 175.22 173.57 2kpp s VAL 86 N 1.60 1.70 0.04 3.12 1.01 -0.55 -0.68 120.40 126.64 2kpp s VAL 86 Ca -0.02 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2kpp s VAL 86 Cb -0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2kpp s VAL 86 CO -0.03 0.48 -0.23 -1.83 0.00 0.00 0.00 175.10 173.49 2kpp s GLU 87 N 1.40 1.60 -0.11 2.72 -1.05 -0.88 0.49 118.70 122.86 2kpp s GLU 87 Ca 0.04 -1.02 -0.10 0.00 -0.15 0.00 0.00 54.97 53.74 2kpp s GLU 87 Cb -0.13 -1.74 -0.05 0.00 -0.44 0.00 0.00 34.13 31.78 2kpp s GLU 87 CO -0.11 0.45 0.22 0.42 0.95 0.00 0.00 175.26 177.20 2kpp s ILE 88 N -0.79 5.35 -0.01 1.83 1.01 -0.32 -0.59 121.20 127.68 2kpp s ILE 88 Ca 0.10 0.41 -0.15 0.00 0.00 0.00 0.00 60.65 61.00 2kpp s ILE 88 Cb -0.09 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.88 2kpp s ILE 88 CO 0.02 0.54 0.32 -1.59 0.00 0.00 0.00 174.94 174.22 2kpp s LYS 89 N -0.53 0.69 0.46 2.79 -2.85 -0.37 -1.01 119.74 118.92 2kpp s LYS 89 Ca 0.16 -0.22 -0.20 0.00 -1.00 0.00 0.00 55.97 54.71 2kpp s LYS 89 Cb -0.13 0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 35.85 2kpp s LYS 89 CO 0.05 -0.20 0.98 0.45 0.10 0.00 0.00 175.35 176.74 2kpp s SER 90 N -1.41 6.71 0.57 0.03 0.15 -1.26 -0.15 113.70 118.34 2kpp s SER 90 Ca -0.13 1.74 0.35 0.00 0.70 0.00 0.00 55.95 58.62 2kpp s SER 90 Cb -0.05 -2.54 1.54 0.00 -1.71 0.00 0.00 66.02 63.26 2kpp s SER 90 CO 0.04 -0.52 2.05 0.71 1.20 0.00 0.00 173.24 176.71 2kpp h THR 91 N 1.66 0.02 -3.53 6.45 1.35 -1.68 -3.46 112.91 113.72 2kpp h THR 91 Ca -0.49 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2kpp h THR 91 Cb 1.19 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2kpp h THR 91 CO 0.60 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 2kpp n GLN 92 N -3.10 2.11 -2.00 4.72 10.64 -1.26 -5.08 117.38 123.41 2kpp n GLN 92 Ca -0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 2kpp n GLN 92 Cb 0.27 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.62 2kpp n GLN 92 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2kpp s LYS 93 N -1.36 3.87 0.08 2.61 2.20 -1.26 -4.99 119.74 120.88 2kpp s LYS 93 Ca 0.00 1.93 0.02 0.00 -0.36 0.00 0.00 55.97 57.56 2kpp s LYS 93 Cb 0.00 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 2kpp s LYS 93 CO 0.00 -1.22 -0.07 0.34 -0.36 0.00 0.00 175.35 174.04 2kpp s ASP 94 N 4.40 1.06 -0.34 1.43 2.15 -1.26 -5.09 116.67 119.03 2kpp s ASP 94 Ca 0.76 -0.85 0.03 0.00 0.43 0.00 0.00 52.55 52.92 2kpp s ASP 94 Cb -0.30 0.07 0.10 0.00 -0.30 0.00 0.00 42.92 42.49 2kpp s ASP 94 CO 0.31 -0.37 0.04 -0.44 -0.17 0.00 0.00 175.17 174.54 2kpp s SER 95 N -2.55 4.77 1.01 -0.34 0.01 -1.26 -5.06 113.70 110.28 2kpp s SER 95 Ca 0.05 -2.06 -0.05 0.00 1.31 0.00 0.00 55.95 55.20 2kpp s SER 95 Cb 0.00 -1.64 0.07 0.00 0.21 0.00 0.00 66.02 64.66 2kpp s SER 95 CO -0.03 -0.37 0.38 0.29 0.41 0.00 0.00 173.24 173.92 2kpp n LYS 96 N 4.30 -0.50 -1.75 12.44 5.02 -1.26 -5.01 118.16 131.39 2kpp n LYS 96 Ca 0.01 -0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 55.32 2kpp n LYS 96 Cb 0.42 -0.40 0.01 0.00 -0.02 0.00 0.00 35.03 35.04 2kpp n LYS 96 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kpp n ASP 97 N -3.28 3.24 -0.00 4.39 9.92 -1.26 -4.94 116.55 124.62 2kpp n ASP 97 Ca 0.05 1.15 -0.09 0.00 -0.53 0.00 0.00 54.79 55.37 2kpp n ASP 97 Cb 0.17 -1.58 -0.03 0.00 -0.64 0.00 0.00 41.12 39.04 2kpp n ASP 97 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2kpp h PRO 98 N 2.44 -0.12 -5.88 -0.24 0.13 -2.04 -3.37 132.00 122.93 2kpp h PRO 98 Ca -0.50 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 2kpp h PRO 98 Cb 1.27 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 2kpp h PRO 98 CO 0.62 -0.08 0.77 -0.51 -0.23 0.00 0.00 178.00 178.56 2kpp s ASP 99 N -5.11 6.19 -0.28 1.44 1.01 -1.26 -4.96 116.67 113.70 2kpp s ASP 99 Ca -0.14 -0.69 -0.15 0.00 0.71 0.00 0.00 52.55 52.28 2kpp s ASP 99 Cb 0.10 -2.48 0.09 0.00 1.01 0.00 0.00 42.92 41.64 2kpp s ASP 99 CO 0.68 -1.59 0.69 0.28 0.21 0.00 0.00 175.17 175.44 2kpp s THR 100 N 4.76 -0.22 -0.30 -1.27 -1.32 -1.26 -5.15 115.64 110.88 2kpp s THR 100 Ca 0.29 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 2kpp s THR 100 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2kpp s THR 100 CO 0.13 0.00 0.10 1.51 -2.21 0.00 0.00 174.62 174.15 2kpp s ASP 101 N 1.91 5.25 0.05 8.08 -4.77 -1.26 -5.08 116.67 120.85 2kpp s ASP 101 Ca -0.09 -0.63 -0.06 0.00 -3.30 0.00 0.00 52.55 48.47 2kpp s ASP 101 Cb -0.06 -1.92 -0.01 0.00 -1.09 0.00 0.00 42.92 39.83 2kpp s ASP 101 CO -0.20 -0.19 0.11 -1.48 0.70 0.00 0.00 175.17 174.11 2kpp s LEU 102 N 1.54 1.78 -0.23 2.11 2.34 -1.26 -5.15 118.68 119.81 2kpp s LEU 102 Ca 0.03 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.62 2kpp s LEU 102 Cb -0.17 0.67 0.06 0.00 -0.56 0.00 0.00 46.19 46.19 2kpp s LEU 102 CO 0.04 -0.57 -0.05 -0.63 -1.06 0.00 0.00 176.35 174.08 2kpp s ILE 103 N -3.06 1.45 -0.39 1.48 1.01 -1.26 -5.09 121.20 115.33 2kpp s ILE 103 Ca -0.01 -1.17 -0.22 0.00 0.00 0.00 0.00 60.65 59.25 2kpp s ILE 103 Cb 0.01 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.77 2kpp s ILE 103 CO -0.07 -0.11 0.72 -0.69 0.00 0.00 0.00 174.94 174.79 2kpp s VAL 104 N 1.43 4.78 0.00 2.92 1.01 -1.26 -5.07 120.40 124.21 2kpp s VAL 104 Ca -0.05 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2kpp s VAL 104 Cb -0.19 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2kpp s VAL 104 CO -0.06 -0.48 0.00 -0.81 0.00 0.00 0.00 175.10 173.75 2kpp n PRO 105 N 6.35 0.23 -1.50 2.72 -0.04 -1.26 -4.84 135.00 136.66 2kpp n PRO 105 Ca 0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 2kpp n PRO 105 Cb 0.48 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.87 2kpp n PRO 105 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kpp n ASN 106 N -1.39 1.84 -4.64 3.54 5.03 -1.26 -4.89 115.26 113.49 2kpp n ASN 106 Ca 0.00 0.02 -0.39 0.00 0.87 0.00 0.00 54.58 55.08 2kpp n ASN 106 Cb 0.00 -1.32 0.03 0.00 -1.02 0.00 0.00 39.78 37.48 2kpp n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kpp n LEU 107 N 12.26 3.58 -4.86 3.41 -0.00 -1.26 -4.99 117.00 125.14 2kpp n LEU 107 Ca 0.45 0.93 -0.30 0.00 -0.00 0.00 0.00 56.01 57.09 2kpp n LEU 107 Cb 0.31 -1.41 0.06 0.00 -0.00 0.00 0.00 43.42 42.38 2kpp n LEU 107 CO 0.78 -1.45 0.74 -1.61 -0.00 0.00 0.00 177.39 175.85 2kpp s GLU 108 N -2.46 2.59 -0.35 1.47 2.02 -1.26 -4.90 118.70 115.81 2kpp s GLU 108 Ca 0.69 0.50 -0.39 0.00 0.02 0.00 0.00 54.97 55.79 2kpp s GLU 108 Cb -0.47 -1.99 -0.14 0.00 0.10 0.00 0.00 34.13 31.63 2kpp s GLU 108 CO 0.52 -1.23 2.00 1.58 0.02 0.00 0.00 175.26 178.14 2kpp n HIS 109 N -3.15 1.72 -4.21 1.61 -0.00 -1.26 -4.95 115.22 104.98 2kpp n HIS 109 Ca 0.07 0.46 -0.19 0.00 -0.00 0.00 0.00 57.72 58.06 2kpp n HIS 109 Cb 0.57 -2.46 -0.12 0.00 -0.00 0.00 0.00 29.99 27.97 2kpp n HIS 109 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpp s HIS 110 N 5.56 1.28 0.64 1.57 2.46 -1.26 -5.16 115.29 120.37 2kpp s HIS 110 Ca 1.07 -0.44 -0.09 0.00 0.47 0.00 0.00 55.06 56.07 2kpp s HIS 110 Cb -1.05 -0.72 0.00 0.00 -0.13 0.00 0.00 32.58 30.68 2kpp s HIS 110 CO 0.59 0.07 0.99 -1.01 -2.47 0.00 0.00 174.74 172.91 2kpp s HIS 111 N -1.19 3.34 -0.36 3.88 3.76 -1.26 -5.05 115.29 118.42 2kpp s HIS 111 Ca -0.01 0.90 -0.15 0.00 -0.15 0.00 0.00 55.06 55.65 2kpp s HIS 111 Cb -0.10 -2.86 -0.01 0.00 1.11 0.00 0.00 32.58 30.73 2kpp s HIS 111 CO 0.02 -0.93 0.37 -1.01 -0.85 0.00 0.00 174.74 172.33 2kpp s HIS 112 N -3.16 3.21 -0.13 1.40 0.09 -1.26 -5.05 115.29 110.39 2kpp s HIS 112 Ca 0.55 -0.10 -0.02 0.00 -0.00 0.00 0.00 55.06 55.49 2kpp s HIS 112 Cb -0.11 -2.69 0.04 0.00 -0.00 0.00 0.00 32.58 29.82 2kpp s HIS 112 CO 0.49 -0.48 0.00 -1.58 -0.00 0.00 0.00 174.74 173.17 2kpp s HIS 113 N 2.01 0.98 0.00 1.40 5.04 -1.26 -5.39 115.29 118.07 2kpp s HIS 113 Ca 0.11 -0.56 0.00 0.00 -1.54 0.00 0.00 55.06 53.07 2kpp s HIS 113 Cb -0.17 -0.98 0.00 0.00 0.04 0.00 0.00 32.58 31.48 2kpp s HIS 113 CO 0.12 -0.48 0.00 -2.39 -2.34 0.00 0.00 174.74 169.65