#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpp n LYS 2 N 0.00 -1.41 -3.75 2.12 5.02 -1.26 -5.02 118.16 113.87 2kpp n LYS 2 Ca 0.00 1.29 -0.30 0.00 -2.02 0.00 0.00 58.31 57.29 2kpp n LYS 2 Cb 0.00 -5.07 -0.14 0.00 -0.02 0.00 0.00 35.03 29.80 2kpp n LYS 2 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kpp s ASN 3 N -3.03 3.92 -0.09 4.39 -0.87 -1.26 -5.11 114.94 112.88 2kpp s ASN 3 Ca 0.04 -2.16 -0.02 0.00 -1.57 0.00 0.00 52.86 49.15 2kpp s ASN 3 Cb -0.01 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.25 40.17 2kpp s ASN 3 CO 0.78 -0.34 0.00 0.28 -2.57 0.00 0.00 177.10 175.25 2kpp s THR 4 N 0.94 4.31 0.19 1.60 -1.32 -1.26 -5.03 115.64 115.07 2kpp s THR 4 Ca 0.14 -0.25 0.06 0.00 -1.21 0.00 0.00 61.69 60.43 2kpp s THR 4 Cb -0.21 -2.82 -0.12 0.00 -1.51 0.00 0.00 72.50 67.85 2kpp s THR 4 CO -0.11 0.60 1.44 1.23 -2.21 0.00 0.00 174.62 175.57 2kpp h GLY 5 N 5.26 0.11 -4.70 6.08 0.00 -2.04 -3.45 103.07 104.33 2kpp h GLY 5 Ca -0.50 -0.18 -0.68 0.00 0.00 0.00 0.00 47.33 45.97 2kpp h GLY 5 CO 0.55 0.16 -0.72 0.51 0.00 0.00 0.00 176.54 177.04 2kpp s ASP 6 N -6.85 4.50 -0.14 0.19 -4.77 -1.26 -5.12 116.67 103.22 2kpp s ASP 6 Ca -0.02 -0.20 -0.15 0.00 -3.30 0.00 0.00 52.55 48.89 2kpp s ASP 6 Cb 0.11 -1.00 -0.05 0.00 -1.09 0.00 0.00 42.92 40.89 2kpp s ASP 6 CO 0.80 0.27 0.34 -1.61 0.70 0.00 0.00 175.17 175.67 2kpp s GLU 7 N -1.47 4.23 0.01 2.11 2.02 -1.26 -4.94 118.70 119.40 2kpp s GLU 7 Ca 0.17 0.19 0.07 0.00 0.02 0.00 0.00 54.97 55.42 2kpp s GLU 7 Cb -0.11 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 2kpp s GLU 7 CO 0.08 0.26 -0.22 0.14 0.02 0.00 0.00 175.26 175.55 2kpp s VAL 8 N 0.36 1.72 -0.02 2.63 -7.23 -1.26 -0.77 120.40 115.82 2kpp s VAL 8 Ca 0.19 -1.06 0.08 0.00 -1.81 0.00 0.00 61.98 59.38 2kpp s VAL 8 Cb -0.14 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2kpp s VAL 8 CO 0.06 0.37 -0.26 0.68 -0.31 0.00 0.00 175.10 175.64 2kpp s VAL 9 N -0.64 2.07 -0.36 1.32 -7.23 -0.04 -1.36 120.40 114.17 2kpp s VAL 9 Ca 0.08 -1.12 -0.17 0.00 -1.81 0.00 0.00 61.98 58.96 2kpp s VAL 9 Cb -0.09 -1.71 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 2kpp s VAL 9 CO 0.00 0.57 0.46 0.00 -0.31 0.00 0.00 175.10 175.83 2kpp s ALA 10 N -0.62 3.48 -0.40 1.32 0.00 0.33 -1.75 121.76 124.11 2kpp s ALA 10 Ca 0.10 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 2kpp s ALA 10 Cb -0.10 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.07 2kpp s ALA 10 CO -0.01 -1.22 0.35 0.42 0.00 0.00 0.00 175.76 175.30 2kpp s ILE 11 N 2.27 5.20 -0.23 0.00 -1.09 0.00 -1.11 121.20 126.24 2kpp s ILE 11 Ca 0.16 -0.47 -0.09 0.00 -2.23 0.00 0.00 60.65 58.01 2kpp s ILE 11 Cb -0.16 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 2kpp s ILE 11 CO 0.13 -0.31 0.13 -0.63 -1.23 0.00 0.00 174.94 173.03 2kpp s ILE 12 N 1.86 5.13 0.12 2.92 1.09 0.76 -0.99 121.20 132.10 2kpp s ILE 12 Ca 0.08 0.10 0.09 0.00 -1.10 0.00 0.00 60.65 59.82 2kpp s ILE 12 Cb -0.18 -3.38 -0.04 0.00 -1.06 0.00 0.00 42.46 37.81 2kpp s ILE 12 CO 0.11 0.37 -0.22 -0.44 -0.10 0.00 0.00 174.94 174.66 2kpp s SER 13 N 0.95 2.80 -0.04 3.58 0.01 0.77 -1.26 113.70 120.51 2kpp s SER 13 Ca 0.06 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.63 2kpp s SER 13 Cb -0.13 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2kpp s SER 13 CO 0.03 0.09 -0.13 -1.58 0.41 0.00 0.00 173.24 172.06 2kpp s GLN 14 N -2.05 1.40 0.00 12.44 0.74 0.54 -0.70 119.66 132.02 2kpp s GLN 14 Ca 0.10 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.05 2kpp s GLN 14 Cb -0.10 -1.24 0.00 0.00 1.10 0.00 0.00 33.01 32.77 2kpp s GLN 14 CO 0.05 0.17 0.00 0.09 -0.55 0.00 0.00 175.29 175.05 2kpp n ASN 15 N 3.25 -5.10 0.00 6.67 3.02 0.83 -1.76 115.26 122.18 2kpp n ASN 15 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2kpp n ASN 15 Cb 0.53 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 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 0.59 1.55 3.80 7.41 0.00 -1.26 -5.09 105.19 112.19 2kpp n GLY 16 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.03 4.32 0.10 1.61 -2.85 -0.72 -4.97 119.74 117.20 2kpp s LYS 17 Ca 0.00 0.86 -0.31 0.00 -1.00 0.00 0.00 55.97 55.53 2kpp s LYS 17 Cb 0.00 -3.25 -0.07 0.00 -2.06 0.00 0.00 37.83 32.45 2kpp s LYS 17 CO 0.00 0.60 1.30 0.08 0.10 0.00 0.00 175.35 177.44 2kpp s VAL 18 N -1.06 3.59 0.00 1.79 1.01 -1.26 -0.34 120.40 124.12 2kpp s VAL 18 Ca 0.31 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2kpp s VAL 18 Cb -0.20 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2kpp s VAL 18 CO 0.21 0.10 0.00 2.30 0.00 0.00 0.00 175.10 177.71 2kpp n ILE 19 N 3.78 0.00 -3.67 2.22 -5.35 -0.39 -4.90 119.36 111.05 2kpp n ILE 19 Ca 0.10 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.48 2kpp n ILE 19 Cb 0.44 -0.83 -0.10 0.00 -1.74 0.00 0.00 39.64 37.40 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 -1.94 0.32 -0.12 6.28 6.06 -0.87 -5.05 118.95 123.63 2kpp s ARG 20 Ca 0.00 0.92 0.02 0.00 -2.50 0.00 0.00 55.73 54.18 2kpp s ARG 20 Cb 0.00 0.18 0.01 0.00 0.06 0.00 0.00 34.95 35.20 2kpp s ARG 20 CO 0.00 -0.23 -0.19 -1.21 -2.50 0.00 0.00 175.30 171.17 2kpp s GLU 21 N 2.20 2.68 -0.15 5.12 2.02 -1.26 -0.17 118.70 129.15 2kpp s GLU 21 Ca -0.04 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.24 2kpp s GLU 21 Cb -0.11 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 31.96 2kpp s GLU 21 CO -0.12 -0.01 -0.21 0.42 0.02 0.00 0.00 175.26 175.37 2kpp s ILE 22 N 0.81 1.99 -0.25 -1.63 1.09 -0.27 -4.98 121.20 117.97 2kpp s ILE 22 Ca -0.09 -0.93 -0.29 0.00 -1.10 0.00 0.00 60.65 58.25 2kpp s ILE 22 Cb -0.16 -1.78 -0.03 0.00 -1.06 0.00 0.00 42.46 39.44 2kpp s ILE 22 CO -0.00 0.53 1.85 -2.84 -0.10 0.00 0.00 174.94 174.38 2kpp s PRO 23 N 0.97 3.47 -0.07 2.79 0.02 -1.26 -0.51 135.00 140.40 2kpp s PRO 23 Ca -0.04 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 2kpp s PRO 23 Cb -0.15 -4.19 -0.07 0.00 0.02 0.00 0.00 34.50 30.11 2kpp s PRO 23 CO -0.05 -1.70 0.43 -0.07 -0.33 0.00 0.00 177.00 175.28 2kpp h LEU 24 N 13.25 -0.22 -9.31 -5.54 3.38 -1.57 -3.36 115.31 111.94 2kpp h LEU 24 Ca -0.36 -0.10 -0.54 0.00 0.09 0.00 0.00 57.88 56.97 2kpp h LEU 24 Cb 1.18 0.06 0.02 0.00 0.09 0.00 0.00 40.66 42.01 2kpp h LEU 24 CO 1.00 0.29 1.26 -0.89 0.09 0.00 0.00 178.44 180.19 2kpp s THR 25 N -2.59 3.04 0.00 0.22 2.01 -1.10 -0.95 115.64 116.27 2kpp s THR 25 Ca -0.06 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2kpp s THR 25 Cb 0.00 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2kpp s THR 25 CO 0.21 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 2kpp n GLY 26 N 4.67 0.28 3.55 4.40 0.00 -1.26 -4.88 105.19 111.95 2kpp n GLY 26 Ca 0.21 0.00 -0.41 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 -2.09 2.36 0.47 1.61 5.04 -0.12 -4.99 115.29 117.56 2kpp s HIS 27 Ca 0.00 -0.34 -0.23 0.00 -1.54 0.00 0.00 55.06 52.96 2kpp s HIS 27 Cb 0.00 -4.63 -0.07 0.00 0.04 0.00 0.00 32.58 27.92 2kpp s HIS 27 CO 0.00 -2.02 1.17 -1.59 -2.34 0.00 0.00 174.74 169.96 2kpp s LYS 28 N 5.49 3.70 2.67 2.88 -2.85 -1.26 -3.04 119.74 127.34 2kpp s LYS 28 Ca 0.41 1.79 0.00 0.00 -1.00 0.00 0.00 55.97 57.17 2kpp s LYS 28 Cb -0.05 -2.37 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2kpp s LYS 28 CO 0.05 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.30 2kpp n GLY 29 N 0.44 -0.13 3.44 0.59 0.00 -1.26 -4.81 105.19 103.47 2kpp n GLY 29 Ca 0.08 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 3.60 -0.10 1.61 3.84 -1.26 -1.42 114.94 117.21 2kpp s ASN 30 Ca 0.00 -0.70 -0.07 0.00 0.21 0.00 0.00 52.86 52.30 2kpp s ASN 30 Cb 0.00 -0.37 0.03 0.00 -0.55 0.00 0.00 41.25 40.37 2kpp s ASN 30 CO 0.00 0.16 0.24 -0.70 -2.79 0.00 0.00 177.10 174.01 2kpp s GLU 31 N -2.29 0.24 0.01 0.43 2.12 0.15 -4.98 118.70 114.38 2kpp s GLU 31 Ca 0.18 0.43 0.04 0.00 0.36 0.00 0.00 54.97 55.97 2kpp s GLU 31 Cb -0.10 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.29 2kpp s GLU 31 CO 0.09 -0.10 -0.11 -0.65 -0.54 0.00 0.00 175.26 173.95 2kpp s GLN 32 N 0.69 0.82 -0.15 4.30 -0.21 -1.26 0.41 119.66 124.26 2kpp s GLN 32 Ca -0.05 -0.51 -0.12 0.00 0.02 0.00 0.00 55.36 54.71 2kpp s GLN 32 Cb -0.06 -0.79 0.05 0.00 1.00 0.00 0.00 33.01 33.21 2kpp s GLN 32 CO -0.04 0.21 0.39 -0.59 -2.12 0.00 0.00 175.29 173.14 2kpp s PHE 33 N -0.52 -0.49 -0.21 0.91 -0.71 -0.64 -5.02 117.98 111.30 2kpp s PHE 33 Ca 0.02 1.13 -0.11 0.00 -1.04 0.00 0.00 56.93 56.93 2kpp s PHE 33 Cb -0.06 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 2kpp s PHE 33 CO 0.00 -0.26 0.20 0.99 -1.34 0.00 0.00 175.22 174.81 2kpp s THR 34 N 0.72 5.35 -0.22 -4.49 2.01 -1.26 -1.33 115.64 116.41 2kpp s THR 34 Ca -0.04 0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 2kpp s THR 34 Cb -0.05 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2kpp s THR 34 CO -0.05 0.38 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.61 2kpp s ILE 35 N 0.74 3.59 -0.19 1.82 1.01 0.13 -4.96 121.20 123.34 2kpp s ILE 35 Ca 0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 2kpp s ILE 35 Cb -0.13 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 2kpp s ILE 35 CO 0.02 0.41 0.25 -0.54 0.00 0.00 0.00 174.94 175.08 2kpp s LYS 36 N 1.44 4.21 0.00 2.79 1.02 -1.26 -0.62 119.74 127.31 2kpp s LYS 36 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.02 2kpp s LYS 36 Cb -0.14 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 2kpp s LYS 36 CO -0.01 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 2kpp n GLY 37 N 3.62 0.29 3.88 -3.33 0.00 0.72 -5.01 105.19 105.36 2kpp n GLY 37 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2kpp n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpp s LYS 38 N 2.45 3.49 4.00 1.61 0.00 -1.26 -4.87 119.74 125.16 2kpp s LYS 38 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 55.97 55.85 2kpp s LYS 38 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 37.83 34.67 2kpp s LYS 38 CO 0.00 0.74 0.00 0.41 0.00 0.00 0.00 175.35 176.50 2kpp n GLY 39 N 1.65 0.37 0.18 0.59 0.00 -1.26 -1.26 105.19 105.45 2kpp n GLY 39 Ca -0.17 0.64 0.06 0.00 0.00 0.00 0.00 46.02 46.55 2kpp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpp n ALA 40 N 8.09 2.11 -2.61 4.61 0.00 -1.26 -5.04 120.51 126.42 2kpp n ALA 40 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 53.44 51.08 2kpp n ALA 40 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 2kpp n ALA 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kpp s GLN 41 N -1.79 3.88 0.09 0.00 -1.52 -0.39 -4.99 119.66 114.95 2kpp s GLN 41 Ca 0.19 0.55 0.06 0.00 -1.95 0.00 0.00 55.36 54.20 2kpp s GLN 41 Cb 0.17 -3.77 -0.03 0.00 -0.22 0.00 0.00 33.01 29.15 2kpp s GLN 41 CO 0.02 -0.80 -0.14 1.52 -0.25 0.00 0.00 175.29 175.63 2kpp s TYR 42 N 3.17 1.31 -0.16 0.91 1.13 -1.26 -0.20 117.35 122.25 2kpp s TYR 42 Ca 0.34 -0.50 -0.00 0.00 -1.41 0.00 0.00 57.07 55.50 2kpp s TYR 42 Cb -0.13 -0.71 0.04 0.00 -1.10 0.00 0.00 41.96 40.05 2kpp s TYR 42 CO 0.15 0.09 -0.08 -0.80 -2.51 0.00 0.00 175.55 172.41 2kpp s ASN 43 N -2.03 2.78 -0.53 -0.18 -0.87 0.21 -3.82 114.94 110.48 2kpp s ASN 43 Ca 0.03 -0.60 -0.19 0.00 -1.57 0.00 0.00 52.86 50.53 2kpp s ASN 43 Cb -0.08 -0.99 0.08 0.00 -0.02 0.00 0.00 41.25 40.24 2kpp s ASN 43 CO 0.03 -0.15 0.62 -0.22 -2.57 0.00 0.00 177.10 174.81 2kpp s LEU 44 N 1.59 5.21 -0.03 0.60 2.96 0.36 -0.69 118.68 128.67 2kpp s LEU 44 Ca 0.02 -1.15 -0.16 0.00 -0.22 0.00 0.00 54.13 52.61 2kpp s LEU 44 Cb -0.14 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2kpp s LEU 44 CO -0.08 -0.94 0.45 -0.04 -1.32 0.00 0.00 176.35 174.42 2kpp s MET 45 N 2.52 4.10 -0.19 1.98 -1.94 -0.44 0.05 119.30 125.37 2kpp s MET 45 Ca 0.12 0.46 0.01 0.00 -1.71 0.00 0.00 55.69 54.58 2kpp s MET 45 Cb -0.22 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.37 2kpp s MET 45 CO 0.09 0.51 -0.11 -2.00 -0.01 0.00 0.00 175.02 173.51 2kpp s GLU 46 N -0.53 2.04 -0.34 2.03 2.12 0.14 -1.62 118.70 122.54 2kpp s GLU 46 Ca 0.25 -0.79 -0.15 0.00 0.36 0.00 0.00 54.97 54.64 2kpp s GLU 46 Cb -0.17 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 2kpp s GLU 46 CO 0.13 -0.40 0.35 0.08 -0.54 0.00 0.00 175.26 174.88 2kpp s VAL 47 N 1.42 5.18 0.43 3.70 1.01 0.17 -1.02 120.40 131.27 2kpp s VAL 47 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.11 2kpp s VAL 47 Cb -0.16 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2kpp s VAL 47 CO -0.08 -0.07 0.32 -0.62 0.00 0.00 0.00 175.10 174.65 2kpp s ASP 48 N 1.73 4.82 -0.88 3.32 2.15 0.81 0.31 116.67 128.94 2kpp s ASP 48 Ca 0.12 -0.89 -0.18 0.00 0.43 0.00 0.00 52.55 52.02 2kpp s ASP 48 Cb -0.17 -0.46 -0.24 0.00 -0.30 0.00 0.00 42.92 41.75 2kpp s ASP 48 CO 0.11 -0.66 2.14 0.61 -0.17 0.00 0.00 175.17 177.21 2kpp n GLY 49 N -1.47 -0.43 3.10 2.66 0.00 -0.50 -0.57 105.19 107.97 2kpp n GLY 49 Ca 0.02 0.54 -0.21 0.00 0.00 0.00 0.00 46.02 46.37 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 6.22 -5.62 -3.54 1.61 1.02 -1.17 -4.99 120.64 114.17 2kpp n GLU 50 Ca 0.59 0.78 -0.08 0.00 -0.02 0.00 0.00 57.16 58.43 2kpp n GLU 50 Cb 0.07 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 25.98 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 -5.84 1.02 0.02 3.49 1.70 0.27 -4.70 118.95 114.91 2kpp s ARG 51 Ca 0.38 -0.42 -0.02 0.00 -0.47 0.00 0.00 55.73 55.20 2kpp s ARG 51 Cb -0.17 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2kpp s ARG 51 CO 0.48 -0.45 0.02 -1.50 -1.08 0.00 0.00 175.30 172.76 2kpp s ILE 52 N -3.32 0.12 0.24 4.99 2.07 -0.63 -0.13 121.20 124.53 2kpp s ILE 52 Ca 0.05 -0.98 -0.13 0.00 -1.41 0.00 0.00 60.65 58.18 2kpp s ILE 52 Cb -0.01 -0.50 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 2kpp s ILE 52 CO -0.08 -0.54 0.48 0.00 -1.91 0.00 0.00 174.94 172.89 2kpp s ARG 53 N -1.83 1.50 -0.37 3.50 1.70 -0.19 -0.58 118.95 122.68 2kpp s ARG 53 Ca -0.12 -1.19 -0.18 0.00 -0.47 0.00 0.00 55.73 53.77 2kpp s ARG 53 Cb -0.07 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2kpp s ARG 53 CO -0.02 -0.62 0.48 0.42 -1.08 0.00 0.00 175.30 174.48 2kpp s ILE 54 N -3.99 5.04 -0.03 4.99 1.01 -1.25 -0.68 121.20 126.28 2kpp s ILE 54 Ca 0.20 0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 2kpp s ILE 54 Cb -0.01 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.25 2kpp s ILE 54 CO 0.07 -0.28 1.07 0.50 0.00 0.00 0.00 174.94 176.29 2kpp h LYS 55 N 8.57 0.24 -3.46 2.79 3.64 -0.71 -3.45 116.57 124.19 2kpp h LYS 55 Ca -0.28 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 58.66 2kpp h LYS 55 Cb 1.12 0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 32.74 2kpp h LYS 55 CO 0.78 0.95 -0.59 -2.00 -2.27 0.00 0.00 179.45 176.32 2kpp s GLU 56 N -3.23 0.14 -0.28 1.90 2.56 -1.14 -5.01 118.70 113.64 2kpp s GLU 56 Ca -0.15 0.14 -0.22 0.00 0.00 0.00 0.00 54.97 54.73 2kpp s GLU 56 Cb 0.02 0.07 0.09 0.00 2.00 0.00 0.00 34.13 36.30 2kpp s GLU 56 CO 0.76 -0.02 0.79 0.34 -0.56 0.00 0.00 175.26 176.57 2kpp s ASP 57 N 0.01 -0.73 -0.71 -1.70 -1.08 -1.26 -0.49 116.67 110.71 2kpp s ASP 57 Ca -0.01 1.31 0.01 0.00 -0.52 0.00 0.00 52.55 53.34 2kpp s ASP 57 Cb -0.01 1.32 0.37 0.00 -1.46 0.00 0.00 42.92 43.14 2kpp s ASP 57 CO 0.00 -0.22 1.65 -0.46 0.52 0.00 0.00 175.17 176.66 2kpp n ASN 58 N 3.11 6.41 -4.66 -0.34 6.94 -1.25 -4.98 115.26 120.49 2kpp n ASN 58 Ca -0.16 -3.78 -0.37 0.00 -0.02 0.00 0.00 54.58 50.25 2kpp n ASN 58 Cb 0.56 -0.85 -0.09 0.00 -2.36 0.00 0.00 39.78 37.05 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2kpp s SER 59 N -2.06 6.22 0.47 0.53 0.01 -1.26 -4.91 113.70 112.69 2kpp s SER 59 Ca 0.49 0.24 0.22 0.00 1.31 0.00 0.00 55.95 58.21 2kpp s SER 59 Cb 0.40 -2.15 1.22 0.00 0.21 0.00 0.00 66.02 65.70 2kpp s SER 59 CO -0.30 -0.00 1.90 1.55 0.41 0.00 0.00 173.24 176.80 2kpp h PRO 60 N 7.56 0.24 -0.01 12.44 0.13 -1.99 0.17 132.00 150.55 2kpp h PRO 60 Ca -0.37 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 2kpp h PRO 60 Cb 1.17 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2kpp h PRO 60 CO 0.67 0.16 -0.78 -0.44 -0.23 0.00 0.00 178.00 177.37 2kpp h ASP 61 N 0.25 0.14 -1.42 1.44 3.32 -2.00 -3.47 116.42 114.67 2kpp h ASP 61 Ca 0.40 -0.10 -0.42 0.00 0.02 0.00 0.00 57.03 56.93 2kpp h ASP 61 Cb 1.19 -0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 2kpp h ASP 61 CO -0.10 0.86 -0.41 0.00 -1.72 0.00 0.00 179.24 177.88 2kpp n GLN 62 N -3.68 -1.47 -0.03 3.56 1.13 0.58 -4.90 117.38 112.57 2kpp n GLN 62 Ca -0.02 1.17 -0.08 0.00 -1.94 0.00 0.00 57.00 56.12 2kpp n GLN 62 Cb 0.75 -5.60 -0.02 0.00 0.11 0.00 0.00 30.24 25.48 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 0.53 -0.88 5.09 2.07 -1.89 -0.97 116.25 120.20 2kpp h VAL 63 Ca -0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2kpp h VAL 63 Cb 1.34 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2kpp h VAL 63 CO 0.60 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.95 2kpp h GLY 64 N -0.19 1.29 1.66 2.17 0.00 -1.91 -2.19 103.07 103.90 2kpp h GLY 64 Ca 0.12 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 2kpp h GLY 64 CO -0.30 0.52 -0.18 -2.08 0.00 0.00 0.00 176.54 174.50 2kpp h VAL 65 N 1.22 1.23 -0.25 4.60 2.07 -1.72 -2.78 116.25 120.62 2kpp h VAL 65 Ca 0.32 -1.07 -0.16 0.00 0.82 0.00 0.00 66.70 66.61 2kpp h VAL 65 Cb -0.04 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2kpp h VAL 65 CO -0.06 0.34 -0.50 0.11 0.02 0.00 0.00 177.57 177.48 2kpp h LYS 66 N 0.37 0.70 -0.51 1.57 1.57 -0.80 -3.15 116.57 116.32 2kpp h LYS 66 Ca 0.07 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2kpp h LYS 66 Cb 0.53 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2kpp h LYS 66 CO 0.03 1.03 0.32 0.52 -0.57 0.00 0.00 179.45 180.78 2kpp h MET 67 N 0.55 0.68 0.00 3.15 2.86 -1.13 -3.47 114.93 117.56 2kpp h MET 67 Ca 0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2kpp h MET 67 Cb 1.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2kpp h MET 67 CO 0.10 0.47 0.00 0.41 1.06 0.00 0.00 176.91 178.95 2kpp n GLY 68 N -1.41 3.12 3.83 8.32 0.00 -1.14 -4.77 105.19 113.16 2kpp n GLY 68 Ca 0.05 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 3.67 0.08 1.61 0.52 -1.26 -3.87 118.94 119.70 2kpp s TRP 69 Ca 0.00 0.86 0.05 0.00 0.02 0.00 0.00 56.10 57.03 2kpp s TRP 69 Cb 0.00 -2.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 2kpp s TRP 69 CO 0.00 0.62 -0.13 0.15 0.02 0.00 0.00 176.95 177.61 2kpp s LYS 70 N -0.90 0.83 0.00 4.98 -0.14 0.25 -5.00 119.74 119.77 2kpp s LYS 70 Ca 0.21 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 2kpp s LYS 70 Cb -0.15 -0.76 0.00 0.00 -1.68 0.00 0.00 37.83 35.24 2kpp s LYS 70 CO 0.11 0.16 0.22 -1.13 -0.76 0.00 0.00 175.35 173.94 2kpp n SER 71 N 1.09 0.00 -4.32 2.83 3.41 -1.26 -1.61 113.62 113.76 2kpp n SER 71 Ca -0.20 -0.75 -0.26 0.00 -0.26 0.00 0.00 58.87 57.40 2kpp n SER 71 Cb 0.55 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.23 -0.27 4.33 -0.14 -1.26 -4.86 119.74 118.77 2kpp s LYS 72 Ca 0.00 -1.21 -0.28 0.00 -1.36 0.00 0.00 55.97 53.12 2kpp s LYS 72 Cb 0.00 -1.56 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 2kpp s LYS 72 CO 0.00 0.37 2.10 0.00 -0.76 0.00 0.00 175.35 177.05 2kpp s ALA 73 N -1.11 2.72 0.00 5.17 0.00 -1.26 -1.64 121.76 125.64 2kpp s ALA 73 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2kpp s ALA 73 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2kpp s ALA 73 CO 0.05 -2.83 0.00 0.41 0.00 0.00 0.00 175.76 173.39 2kpp n GLY 74 N 5.67 1.76 3.63 0.00 0.00 0.40 -4.94 105.19 111.72 2kpp n GLY 74 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.38 6.42 0.12 1.61 1.01 -0.65 -4.84 116.67 118.96 2kpp s ASP 75 Ca 0.00 1.65 0.11 0.00 0.71 0.00 0.00 52.55 55.01 2kpp s ASP 75 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2kpp s ASP 75 CO 0.00 -1.22 -0.26 0.42 0.21 0.00 0.00 175.17 174.32 2kpp s THR 76 N 5.06 2.34 -0.18 -1.27 -4.23 -1.26 -0.93 115.64 115.17 2kpp s THR 76 Ca 0.71 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2kpp s THR 76 Cb -0.25 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.59 2kpp s THR 76 CO 0.29 0.11 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.75 2kpp s ILE 77 N -1.06 1.49 -0.26 2.99 -1.09 0.81 -4.98 121.20 119.10 2kpp s ILE 77 Ca 0.14 -0.83 -0.06 0.00 -2.23 0.00 0.00 60.65 57.67 2kpp s ILE 77 Cb -0.10 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 2kpp s ILE 77 CO 0.06 0.22 0.04 -0.69 -1.23 0.00 0.00 174.94 173.35 2kpp s VAL 78 N 1.48 3.89 -0.61 2.92 1.01 -1.26 -0.90 120.40 126.91 2kpp s VAL 78 Ca 0.01 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2kpp s VAL 78 Cb -0.15 -2.89 0.15 0.00 0.00 0.00 0.00 36.38 33.49 2kpp s VAL 78 CO -0.09 0.25 0.39 0.00 0.00 0.00 0.00 175.10 175.65 2kpp h LEU 80 N 5.89 -0.09 -2.08 0.00 3.38 -1.95 0.17 115.31 120.63 2kpp h LEU 80 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2kpp h LEU 80 Cb 0.82 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2kpp h LEU 80 CO 0.69 -0.03 0.15 -0.65 0.09 0.00 0.00 178.44 178.69 2kpp h PRO 81 N 0.00 0.00 -0.01 1.13 0.11 -1.96 0.68 132.00 131.95 2kpp h PRO 81 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2kpp h PRO 81 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2kpp h PRO 81 CO -0.10 0.00 -0.16 0.72 -0.21 0.00 0.00 178.00 178.24 2kpp n HIS 82 N -2.72 0.00 -2.24 0.65 8.25 -0.91 -4.94 115.22 113.32 2kpp n HIS 82 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2kpp n HIS 82 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.32 -1.70 -3.93 -0.41 5.02 0.51 -4.72 118.16 112.62 2kpp n LYS 83 Ca 0.03 1.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.97 2kpp n LYS 83 Cb 0.16 -5.60 -0.08 0.00 -0.02 0.00 0.00 35.03 29.49 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 -2.92 5.13 -0.09 -0.18 1.01 -0.72 -0.12 120.40 122.51 2kpp s VAL 84 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2kpp s VAL 84 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2kpp s VAL 84 CO 0.00 0.52 -0.07 0.12 0.00 0.00 0.00 175.10 175.66 2kpp s PHE 85 N -0.17 1.26 -0.06 5.22 2.19 0.12 -0.95 117.98 125.60 2kpp s PHE 85 Ca 0.09 -0.54 0.05 0.00 0.33 0.00 0.00 56.93 56.85 2kpp s PHE 85 Cb -0.12 -1.06 -0.02 0.00 -1.31 0.00 0.00 43.02 40.52 2kpp s PHE 85 CO 0.01 -0.39 -0.20 0.08 1.83 0.00 0.00 175.22 176.55 2kpp s VAL 86 N 1.41 2.55 -0.03 3.12 1.01 -0.08 -0.16 120.40 128.21 2kpp s VAL 86 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2kpp s VAL 86 Cb -0.13 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2kpp s VAL 86 CO -0.04 0.57 -0.02 -1.83 0.00 0.00 0.00 175.10 173.79 2kpp s GLU 87 N -0.36 0.41 -0.22 2.72 -1.05 -0.16 -0.13 118.70 119.91 2kpp s GLU 87 Ca 0.03 -0.01 -0.11 0.00 -0.15 0.00 0.00 54.97 54.73 2kpp s GLU 87 Cb -0.12 -0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 33.01 2kpp s GLU 87 CO 0.02 -0.07 0.17 0.42 0.95 0.00 0.00 175.26 176.75 2kpp s ILE 88 N 0.75 5.36 0.21 1.83 1.01 -0.11 -0.82 121.20 129.43 2kpp s ILE 88 Ca -0.08 0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.89 2kpp s ILE 88 Cb -0.11 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2kpp s ILE 88 CO -0.01 0.38 -0.15 -1.59 0.00 0.00 0.00 174.94 173.56 2kpp s LYS 89 N 0.78 1.36 0.43 2.79 -2.85 -0.72 -0.45 119.74 121.08 2kpp s LYS 89 Ca 0.09 -1.58 -0.21 0.00 -1.00 0.00 0.00 55.97 53.26 2kpp s LYS 89 Cb -0.13 -1.21 -0.11 0.00 -2.06 0.00 0.00 37.83 34.33 2kpp s LYS 89 CO 0.02 0.21 0.96 0.45 0.10 0.00 0.00 175.35 177.09 2kpp s SER 90 N -3.26 6.92 0.50 0.03 0.15 -1.26 -0.86 113.70 115.92 2kpp s SER 90 Ca 0.22 1.71 0.29 0.00 0.70 0.00 0.00 55.95 58.87 2kpp s SER 90 Cb -0.02 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.83 2kpp s SER 90 CO 0.08 -0.38 1.88 0.71 1.20 0.00 0.00 173.24 176.73 2kpp h THR 91 N 1.91 0.21 -3.90 6.45 1.35 -1.32 -3.44 112.91 114.16 2kpp h THR 91 Ca -0.49 -0.81 -0.45 0.00 -0.55 0.00 0.00 66.41 64.11 2kpp h THR 91 Cb 1.18 1.67 0.16 0.00 -1.73 0.00 0.00 68.15 69.43 2kpp h THR 91 CO 0.61 0.08 0.20 -1.10 -0.25 0.00 0.00 175.52 175.07 2kpp s GLN 92 N -3.60 0.42 -0.40 4.72 -1.52 -1.26 -4.93 119.66 113.08 2kpp s GLN 92 Ca 0.02 0.45 -0.27 0.00 -1.95 0.00 0.00 55.36 53.60 2kpp s GLN 92 Cb 0.09 -1.74 -0.03 0.00 -0.22 0.00 0.00 33.01 31.10 2kpp s GLN 92 CO 0.59 -2.73 2.00 -1.59 -0.25 0.00 0.00 175.29 173.31 2kpp s LYS 93 N -5.01 2.93 0.75 2.91 0.00 -1.26 -4.95 119.74 115.10 2kpp s LYS 93 Ca 0.65 1.36 -0.11 0.00 0.00 0.00 0.00 55.97 57.87 2kpp s LYS 93 Cb -0.18 -4.34 0.04 0.00 0.00 0.00 0.00 37.83 33.35 2kpp s LYS 93 CO 0.57 -2.34 1.08 0.34 0.00 0.00 0.00 175.35 175.00 2kpp s ASP 94 N 8.00 4.82 0.00 0.03 -1.08 -1.26 -4.97 116.67 122.21 2kpp s ASP 94 Ca 0.84 1.62 0.24 0.00 -0.52 0.00 0.00 52.55 54.73 2kpp s ASP 94 Cb -0.21 -2.41 0.33 0.00 -1.46 0.00 0.00 42.92 39.17 2kpp s ASP 94 CO 0.30 -1.80 1.29 -1.54 0.52 0.00 0.00 175.17 173.94 2kpp n SER 95 N -3.36 0.72 -4.72 -0.34 3.41 -1.26 -4.96 113.62 103.11 2kpp n SER 95 Ca 0.08 -0.53 -0.35 0.00 -0.26 0.00 0.00 58.87 57.80 2kpp n SER 95 Cb 0.54 0.43 0.09 0.00 -0.26 0.00 0.00 64.21 65.01 2kpp n SER 95 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kpp s LYS 96 N -2.94 2.22 0.28 4.33 -0.14 -1.26 -4.97 119.74 117.27 2kpp s LYS 96 Ca 0.12 1.88 -0.29 0.00 -1.36 0.00 0.00 55.97 56.31 2kpp s LYS 96 Cb 0.17 -1.83 -0.10 0.00 -1.68 0.00 0.00 37.83 34.40 2kpp s LYS 96 CO 0.72 -1.80 1.09 -0.51 -0.76 0.00 0.00 175.35 174.09 2kpp s ASP 97 N -1.80 7.26 -0.96 2.83 1.11 -1.26 -4.91 116.67 118.93 2kpp s ASP 97 Ca 0.77 2.25 -0.26 0.00 0.18 0.00 0.00 52.55 55.50 2kpp s ASP 97 Cb -0.32 -2.62 -0.20 0.00 1.07 0.00 0.00 42.92 40.84 2kpp s ASP 97 CO 0.44 -0.15 1.98 -2.65 1.18 0.00 0.00 175.17 175.97 2kpp n PRO 98 N 1.14 0.66 -2.54 8.23 -0.02 -1.26 -4.92 135.00 136.28 2kpp n PRO 98 Ca -0.01 -1.87 -0.41 0.00 -2.02 0.00 0.00 63.50 59.19 2kpp n PRO 98 Cb 0.45 -3.63 -0.04 0.00 -0.02 0.00 0.00 33.50 30.25 2kpp n PRO 98 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kpp s ASP 99 N 7.46 7.31 0.00 2.55 2.15 -1.26 -4.88 116.67 130.00 2kpp s ASP 99 Ca 0.74 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.80 2kpp s ASP 99 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2kpp s ASP 99 CO 0.19 -0.17 0.50 1.07 -0.17 0.00 0.00 175.17 176.58 2kpp n THR 100 N 2.20 0.00 -3.59 1.71 5.66 -1.26 -5.12 114.28 113.88 2kpp n THR 100 Ca 0.02 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.62 2kpp n THR 100 Cb 0.46 0.04 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 2kpp n THR 100 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2kpp s ASP 101 N -0.08 5.82 0.24 1.09 1.11 -1.26 -5.07 116.67 118.52 2kpp s ASP 101 Ca 0.00 -0.53 0.00 0.00 0.18 0.00 0.00 52.55 52.20 2kpp s ASP 101 Cb 0.00 -2.07 -0.05 0.00 1.07 0.00 0.00 42.92 41.87 2kpp s ASP 101 CO 0.00 -0.24 0.11 -1.48 1.18 0.00 0.00 175.17 174.74 2kpp s LEU 102 N 1.66 1.47 -0.32 1.23 0.05 -1.26 -5.14 118.68 116.37 2kpp s LEU 102 Ca 0.05 -1.38 -0.10 0.00 0.05 0.00 0.00 54.13 52.75 2kpp s LEU 102 Cb -0.17 0.15 -0.00 0.00 -2.05 0.00 0.00 46.19 44.11 2kpp s LEU 102 CO 0.08 -0.77 0.16 -0.63 -0.55 0.00 0.00 176.35 174.65 2kpp s ILE 103 N -3.90 4.59 -0.03 1.48 1.01 -1.26 -5.07 121.20 118.03 2kpp s ILE 103 Ca 0.38 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2kpp s ILE 103 Cb 0.08 -3.39 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 2kpp s ILE 103 CO 0.13 0.01 1.80 0.54 0.00 0.00 0.00 174.94 177.41 2kpp s VAL 104 N 1.60 3.35 -0.11 2.92 0.11 -1.26 -4.95 120.40 122.06 2kpp s VAL 104 Ca 0.04 0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 2kpp s VAL 104 Cb -0.17 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.36 2kpp s VAL 104 CO 0.06 -0.05 1.41 -2.16 -3.33 0.00 0.00 175.10 171.04 2kpp s PRO 105 N 4.33 4.22 -0.69 1.54 0.04 -1.26 -4.95 135.00 138.23 2kpp s PRO 105 Ca 0.80 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 63.46 2kpp s PRO 105 Cb -0.36 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.34 2kpp s PRO 105 CO 0.34 -0.74 1.81 1.21 0.04 0.00 0.00 177.00 179.67 2kpp s ASN 106 N 2.44 5.37 0.34 6.66 2.47 -1.26 -4.96 114.94 126.00 2kpp s ASN 106 Ca 0.62 0.02 -0.29 0.00 0.42 0.00 0.00 52.86 53.63 2kpp s ASN 106 Cb -0.27 -2.54 -0.12 0.00 -1.45 0.00 0.00 41.25 36.87 2kpp s ASN 106 CO 0.21 -2.37 1.40 0.00 -3.72 0.00 0.00 177.10 172.62 2kpp n LEU 107 N 12.54 3.96 -4.77 3.21 -0.00 -1.26 -4.95 117.00 125.73 2kpp n LEU 107 Ca 0.23 1.20 -0.39 0.00 -0.00 0.00 0.00 56.01 57.05 2kpp n LEU 107 Cb 0.51 -1.53 -0.02 0.00 -0.00 0.00 0.00 43.42 42.37 2kpp n LEU 107 CO 0.69 -0.22 0.86 -0.70 -0.00 0.00 0.00 177.39 178.02 2kpp s GLU 108 N -1.63 4.19 -1.10 1.47 2.56 -1.26 -4.90 118.70 118.03 2kpp s GLU 108 Ca 0.57 1.91 -0.16 0.00 0.00 0.00 0.00 54.97 57.29 2kpp s GLU 108 Cb -0.54 -2.82 -0.07 0.00 2.00 0.00 0.00 34.13 32.70 2kpp s GLU 108 CO 0.60 -0.23 2.13 1.58 -0.56 0.00 0.00 175.26 178.79 2kpp n HIS 109 N 0.36 2.45 1.42 5.30 -0.00 -1.26 -4.67 115.22 118.82 2kpp n HIS 109 Ca 0.03 -2.34 0.15 0.00 -0.00 0.00 0.00 57.72 55.55 2kpp n HIS 109 Cb 0.45 -2.07 0.70 0.00 -0.00 0.00 0.00 29.99 29.07 2kpp n HIS 109 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kpp n HIS 110 N 6.32 0.00 -1.86 1.57 1.44 -1.26 -4.53 115.22 116.89 2kpp n HIS 110 Ca 0.52 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.84 2kpp n HIS 110 Cb 0.35 -0.24 -0.03 0.00 0.12 0.00 0.00 29.99 30.19 2kpp n HIS 110 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kpp n HIS 111 N -1.17 3.09 -3.53 -1.40 -0.00 -1.26 -4.93 115.22 106.02 2kpp n HIS 111 Ca 0.14 -2.17 -0.37 0.00 -0.00 0.00 0.00 57.72 55.32 2kpp n HIS 111 Cb 0.25 -2.35 -0.06 0.00 -0.00 0.00 0.00 29.99 27.83 2kpp n HIS 111 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpp s HIS 112 N 6.25 3.60 0.87 1.57 5.04 -1.26 -5.10 115.29 126.25 2kpp s HIS 112 Ca 0.58 0.80 -0.15 0.00 -1.54 0.00 0.00 55.06 54.75 2kpp s HIS 112 Cb 0.08 -2.30 0.21 0.00 0.04 0.00 0.00 32.58 30.61 2kpp s HIS 112 CO 0.08 0.46 0.97 0.72 -2.34 0.00 0.00 174.74 174.62 2kpp n HIS 113 N 2.64 -3.86 -0.16 3.88 8.25 -1.26 -5.30 115.22 119.41 2kpp n HIS 113 Ca -0.13 -0.86 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 2kpp n HIS 113 Cb 0.52 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2kpp n HIS 113 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70