#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 3.03 -0.02 0.03 3.01 -1.26 -4.92 119.74 119.61 2kpp s LYS 2 Ca 0.00 -1.69 0.21 0.00 -1.01 0.00 0.00 55.97 53.47 2kpp s LYS 2 Cb 0.00 -4.30 0.63 0.00 -1.01 0.00 0.00 37.83 33.14 2kpp s LYS 2 CO 0.00 -1.36 1.52 0.09 0.51 0.00 0.00 175.35 176.12 2kpp n ASN 3 N 5.34 3.86 -4.70 2.83 4.13 -1.26 -4.94 115.26 120.52 2kpp n ASN 3 Ca -0.12 -2.08 -0.42 0.00 1.68 0.00 0.00 54.58 53.64 2kpp n ASN 3 Cb 0.41 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 38.14 2kpp n ASN 3 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2kpp s THR 4 N -1.22 3.17 -1.28 3.41 2.01 -1.26 -4.93 115.64 115.55 2kpp s THR 4 Ca 0.47 0.75 -0.07 0.00 0.31 0.00 0.00 61.69 63.15 2kpp s THR 4 Cb 0.25 -3.48 0.16 0.00 0.01 0.00 0.00 72.50 69.45 2kpp s THR 4 CO 0.30 0.03 2.05 0.61 -0.69 0.00 0.00 174.62 176.92 2kpp n GLY 5 N 3.71 5.01 3.50 4.40 0.00 -1.26 -4.88 105.19 115.66 2kpp n GLY 5 Ca 0.13 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 2kpp n GLY 5 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kpp n ASP 6 N 2.74 3.78 -4.71 1.61 5.75 -1.26 -4.95 116.55 119.51 2kpp n ASP 6 Ca 0.48 -2.79 -0.42 0.00 -0.01 0.00 0.00 54.79 52.05 2kpp n ASP 6 Cb 0.31 -1.69 -0.03 0.00 -1.03 0.00 0.00 41.12 38.68 2kpp n ASP 6 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kpp s GLU 7 N 5.32 4.36 0.12 0.11 2.02 -1.26 -4.93 118.70 124.43 2kpp s GLU 7 Ca 0.61 1.92 0.04 0.00 0.02 0.00 0.00 54.97 57.56 2kpp s GLU 7 Cb 0.03 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 2kpp s GLU 7 CO 0.10 -0.39 -0.09 0.14 0.02 0.00 0.00 175.26 175.04 2kpp s VAL 8 N 1.35 0.99 0.04 2.63 -7.23 -1.26 -1.53 120.40 115.39 2kpp s VAL 8 Ca 0.62 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2kpp s VAL 8 Cb -0.33 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2kpp s VAL 8 CO 0.29 -0.73 -0.09 0.68 -0.31 0.00 0.00 175.10 174.93 2kpp s VAL 9 N -3.18 0.70 -0.33 1.32 -7.23 0.56 -1.92 120.40 110.32 2kpp s VAL 9 Ca 0.13 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 59.09 2kpp s VAL 9 Cb 0.02 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 2kpp s VAL 9 CO -0.01 -0.26 0.50 0.00 -0.31 0.00 0.00 175.10 175.02 2kpp s ALA 10 N -1.18 3.50 -0.33 1.32 0.00 0.75 -1.49 121.76 124.32 2kpp s ALA 10 Ca -0.06 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 2kpp s ALA 10 Cb -0.09 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2kpp s ALA 10 CO 0.01 -1.12 0.27 0.42 0.00 0.00 0.00 175.76 175.35 2kpp s ILE 11 N 2.35 5.25 -0.34 0.00 -1.09 0.51 -1.48 121.20 126.40 2kpp s ILE 11 Ca 0.19 -0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.41 2kpp s ILE 11 Cb -0.15 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 2kpp s ILE 11 CO 0.12 0.00 0.25 -0.63 -1.23 0.00 0.00 174.94 173.45 2kpp s ILE 12 N 1.83 5.28 0.05 2.92 1.09 0.45 -1.09 121.20 131.72 2kpp s ILE 12 Ca 0.08 -0.19 0.06 0.00 -1.10 0.00 0.00 60.65 59.50 2kpp s ILE 12 Cb -0.17 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 2kpp s ILE 12 CO 0.11 -0.01 -0.13 -0.44 -0.10 0.00 0.00 174.94 174.37 2kpp s SER 13 N 1.72 4.18 -0.02 3.58 0.01 0.25 -1.02 113.70 122.41 2kpp s SER 13 Ca 0.06 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 2kpp s SER 13 Cb -0.17 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.26 2kpp s SER 13 CO 0.11 0.24 0.05 -1.58 0.41 0.00 0.00 173.24 172.47 2kpp s GLN 14 N -1.63 0.06 -0.99 12.44 0.74 0.99 -0.62 119.66 130.66 2kpp s GLN 14 Ca 0.17 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.63 2kpp s GLN 14 Cb -0.11 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.03 2kpp s GLN 14 CO 0.08 -0.01 0.00 0.09 -0.55 0.00 0.00 175.29 174.90 2kpp n ASN 15 N 3.03 -5.59 0.00 6.67 3.02 -0.34 -1.84 115.26 120.21 2kpp n ASN 15 Ca -0.12 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2kpp n ASN 15 Cb 0.60 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 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 0.11 0.79 3.33 7.41 0.00 -1.26 -3.73 105.19 111.84 2kpp n GLY 16 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.66 1.26 0.11 1.61 -2.85 -0.77 -5.02 119.74 113.43 2kpp s LYS 17 Ca 0.00 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 53.24 2kpp s LYS 17 Cb 0.00 -1.25 -0.06 0.00 -2.06 0.00 0.00 37.83 34.46 2kpp s LYS 17 CO 0.00 0.24 1.14 0.08 0.10 0.00 0.00 175.35 176.92 2kpp s VAL 18 N -2.25 3.98 -0.02 1.79 1.01 -1.26 -0.00 120.40 123.65 2kpp s VAL 18 Ca 0.17 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.72 2kpp s VAL 18 Cb -0.05 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2kpp s VAL 18 CO 0.06 0.19 0.03 2.30 0.00 0.00 0.00 175.10 177.68 2kpp n ILE 19 N 3.17 0.13 -3.68 2.22 -5.35 -0.19 -4.89 119.36 110.77 2kpp n ILE 19 Ca 0.06 -0.10 -0.10 0.00 -0.27 0.00 0.00 62.75 62.33 2kpp n ILE 19 Cb 0.46 -0.53 -0.09 0.00 -1.74 0.00 0.00 39.64 37.74 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 -2.11 0.52 -0.17 6.28 6.06 -1.02 -5.06 118.95 123.45 2kpp s ARG 20 Ca -0.01 0.89 -0.01 0.00 -2.50 0.00 0.00 55.73 54.10 2kpp s ARG 20 Cb 0.01 0.08 0.05 0.00 0.06 0.00 0.00 34.95 35.14 2kpp s ARG 20 CO 0.12 -0.14 -0.03 -1.21 -2.50 0.00 0.00 175.30 171.53 2kpp s GLU 21 N 1.26 1.24 -0.13 5.12 2.02 -1.26 -0.41 118.70 126.54 2kpp s GLU 21 Ca -0.08 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2kpp s GLU 21 Cb -0.07 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 2kpp s GLU 21 CO -0.12 -0.47 -0.14 0.42 0.02 0.00 0.00 175.26 174.97 2kpp s ILE 22 N 1.68 3.00 0.18 -1.63 1.09 -0.55 -4.99 121.20 119.98 2kpp s ILE 22 Ca 0.00 -0.68 -0.30 0.00 -1.10 0.00 0.00 60.65 58.57 2kpp s ILE 22 Cb -0.16 -2.25 -0.08 0.00 -1.06 0.00 0.00 42.46 38.91 2kpp s ILE 22 CO -0.07 0.53 1.27 -2.16 -0.10 0.00 0.00 174.94 174.41 2kpp s PRO 23 N 0.33 4.42 -0.08 2.79 0.04 -1.26 -0.18 135.00 141.06 2kpp s PRO 23 Ca -0.11 1.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 2kpp s PRO 23 Cb -0.16 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2kpp s PRO 23 CO 0.06 -0.21 -0.14 1.28 0.04 0.00 0.00 177.00 178.03 2kpp n LEU 24 N 2.73 0.86 -4.70 -3.56 4.77 -0.81 -4.59 117.00 111.70 2kpp n LEU 24 Ca 0.06 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 2kpp n LEU 24 Cb 0.43 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2kpp n LEU 24 CO 0.57 -0.42 1.33 -0.89 -1.33 0.00 0.00 177.39 176.65 2kpp s THR 25 N -1.79 2.74 -0.02 -5.08 2.01 -0.92 -1.45 115.64 111.14 2kpp s THR 25 Ca -0.12 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2kpp s THR 25 Cb 0.02 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2kpp s THR 25 CO 0.17 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 2kpp n GLY 26 N 3.97 0.47 3.46 4.40 0.00 -1.26 -4.79 105.19 111.44 2kpp n GLY 26 Ca 0.16 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.98 2.91 -0.18 1.61 5.04 -0.53 -5.04 115.29 117.11 2kpp s HIS 27 Ca 0.00 -0.42 -0.22 0.00 -1.54 0.00 0.00 55.06 52.88 2kpp s HIS 27 Cb 0.00 -3.87 -0.02 0.00 0.04 0.00 0.00 32.58 28.73 2kpp s HIS 27 CO 0.00 -1.25 0.69 -1.59 -2.34 0.00 0.00 174.74 170.25 2kpp s LYS 28 N 3.27 4.25 0.00 2.88 -2.85 -1.26 -4.12 119.74 121.90 2kpp s LYS 28 Ca 0.21 0.74 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 2kpp s LYS 28 Cb -0.17 -3.57 0.00 0.00 -2.06 0.00 0.00 37.83 32.03 2kpp s LYS 28 CO 0.13 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.74 2kpp n GLY 29 N 3.67 -0.94 3.43 0.59 0.00 -1.26 -4.96 105.19 105.72 2kpp n GLY 29 Ca 0.00 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 3.56 -0.16 1.61 3.84 -1.26 -0.84 114.94 117.70 2kpp s ASN 30 Ca 0.00 -0.68 -0.04 0.00 0.21 0.00 0.00 52.86 52.35 2kpp s ASN 30 Cb 0.00 -0.35 0.07 0.00 -0.55 0.00 0.00 41.25 40.42 2kpp s ASN 30 CO 0.00 0.17 0.20 -0.70 -2.79 0.00 0.00 177.10 173.99 2kpp s GLU 31 N -2.15 0.13 -0.05 0.43 2.56 0.11 -5.00 118.70 114.74 2kpp s GLU 31 Ca 0.16 0.38 0.06 0.00 0.00 0.00 0.00 54.97 55.57 2kpp s GLU 31 Cb -0.10 -0.78 -0.02 0.00 2.00 0.00 0.00 34.13 35.24 2kpp s GLU 31 CO 0.08 -0.50 -0.22 -0.65 -0.56 0.00 0.00 175.26 173.41 2kpp s GLN 32 N 2.32 2.42 -0.17 4.30 -0.21 -1.26 -0.27 119.66 126.79 2kpp s GLN 32 Ca 0.05 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.44 2kpp s GLN 32 Cb -0.14 -2.19 0.05 0.00 1.00 0.00 0.00 33.01 31.73 2kpp s GLN 32 CO -0.10 0.50 0.43 -0.59 -2.12 0.00 0.00 175.29 173.41 2kpp s PHE 33 N -0.44 -0.53 -0.33 0.91 -0.71 -0.74 -5.02 117.98 111.12 2kpp s PHE 33 Ca 0.05 1.23 -0.16 0.00 -1.04 0.00 0.00 56.93 57.01 2kpp s PHE 33 Cb -0.12 0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.89 2kpp s PHE 33 CO 0.01 -0.27 0.40 0.99 -1.34 0.00 0.00 175.22 175.01 2kpp s THR 34 N 0.64 5.13 -0.63 -4.49 2.01 -1.26 -0.85 115.64 116.18 2kpp s THR 34 Ca -0.03 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 2kpp s THR 34 Cb -0.05 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.66 2kpp s THR 34 CO -0.04 -0.07 1.20 -0.63 -0.69 0.00 0.00 174.62 174.38 2kpp s ILE 35 N 2.12 3.96 -0.41 1.82 1.01 0.65 -4.90 121.20 125.44 2kpp s ILE 35 Ca 0.14 0.66 -0.20 0.00 0.00 0.00 0.00 60.65 61.26 2kpp s ILE 35 Cb -0.16 -4.77 0.02 0.00 0.01 0.00 0.00 42.46 37.55 2kpp s ILE 35 CO 0.12 -1.50 0.59 -0.54 0.00 0.00 0.00 174.94 173.62 2kpp s LYS 36 N 5.11 3.36 0.00 2.79 1.02 -1.26 -0.81 119.74 129.94 2kpp s LYS 36 Ca 0.39 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.04 2kpp s LYS 36 Cb -0.08 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 2kpp s LYS 36 CO 0.21 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.15 2kpp n GLY 37 N 4.97 -0.08 3.40 -3.33 0.00 0.98 -4.96 105.19 106.17 2kpp n GLY 37 Ca -0.03 -1.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 3.57 0.00 1.61 2.20 -1.26 -4.59 119.74 121.27 2kpp s LYS 38 Ca 0.00 -1.98 0.00 0.00 -0.36 0.00 0.00 55.97 53.63 2kpp s LYS 38 Cb 0.00 -4.71 0.00 0.00 -1.51 0.00 0.00 37.83 31.61 2kpp s LYS 38 CO 0.00 -1.59 0.00 0.41 -0.36 0.00 0.00 175.35 173.81 2kpp n GLY 39 N 4.94 0.54 4.44 5.54 0.00 -1.26 -4.68 105.19 114.71 2kpp n GLY 39 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.12 0.00 -1.46 4.61 0.00 -1.26 -4.92 120.51 117.37 2kpp n ALA 40 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 2kpp n ALA 40 Cb 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 2kpp n ALA 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kpp n GLN 41 N 0.00 0.98 -4.26 0.00 1.13 -1.26 -4.80 117.38 109.17 2kpp n GLN 41 Ca 0.00 0.24 -0.14 0.00 -1.94 0.00 0.00 57.00 55.15 2kpp n GLN 41 Cb 0.00 -2.47 -0.10 0.00 0.11 0.00 0.00 30.24 27.78 2kpp n GLN 41 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2kpp s TYR 42 N 7.91 1.29 -0.20 1.08 1.13 -1.26 -0.01 117.35 127.29 2kpp s TYR 42 Ca 1.11 -0.75 -0.02 0.00 -1.41 0.00 0.00 57.07 56.00 2kpp s TYR 42 Cb -0.83 -0.65 0.06 0.00 -1.10 0.00 0.00 41.96 39.44 2kpp s TYR 42 CO 0.47 0.10 0.03 -0.80 -2.51 0.00 0.00 175.55 172.84 2kpp s ASN 43 N -3.18 3.02 -0.62 -0.18 -0.87 0.01 -3.55 114.94 109.57 2kpp s ASN 43 Ca 0.17 -0.87 -0.26 0.00 -1.57 0.00 0.00 52.86 50.33 2kpp s ASN 43 Cb 0.02 -0.65 0.04 0.00 -0.02 0.00 0.00 41.25 40.64 2kpp s ASN 43 CO 0.01 -0.30 1.12 -0.22 -2.57 0.00 0.00 177.10 175.13 2kpp s LEU 44 N 1.81 3.67 -0.01 0.60 2.96 0.11 -0.26 118.68 127.56 2kpp s LEU 44 Ca -0.01 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.47 2kpp s LEU 44 Cb -0.17 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.60 2kpp s LEU 44 CO -0.08 -1.48 0.47 -0.04 -1.32 0.00 0.00 176.35 173.90 2kpp s MET 45 N 4.75 4.11 -0.19 1.98 -1.94 -0.03 0.03 119.30 128.00 2kpp s MET 45 Ca 0.35 0.52 0.01 0.00 -1.71 0.00 0.00 55.69 54.86 2kpp s MET 45 Cb -0.10 -3.28 0.04 0.00 2.01 0.00 0.00 34.83 33.49 2kpp s MET 45 CO 0.20 0.53 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.62 2kpp s GLU 46 N -0.63 2.21 -0.40 2.03 2.12 0.05 -1.80 118.70 122.29 2kpp s GLU 46 Ca 0.26 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.64 2kpp s GLU 46 Cb -0.17 -2.43 0.05 0.00 0.26 0.00 0.00 34.13 31.84 2kpp s GLU 46 CO 0.14 -0.38 0.23 0.08 -0.54 0.00 0.00 175.26 174.79 2kpp s VAL 47 N 1.37 4.39 -0.24 3.70 1.01 0.62 -1.21 120.40 130.04 2kpp s VAL 47 Ca -0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 2kpp s VAL 47 Cb -0.16 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.66 2kpp s VAL 47 CO -0.09 -0.37 -0.02 -0.62 0.00 0.00 0.00 175.10 174.00 2kpp s ASP 48 N 1.85 4.47 1.91 3.32 2.15 0.24 0.08 116.67 130.68 2kpp s ASP 48 Ca 0.02 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.39 2kpp s ASP 48 Cb -0.21 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 2kpp s ASP 48 CO 0.04 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 2kpp n GLY 49 N 4.77 1.69 0.69 2.66 0.00 -0.02 -1.56 105.19 113.42 2kpp n GLY 49 Ca -0.17 0.39 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 1.72 2.73 -4.29 1.61 1.02 -1.25 -4.31 120.64 117.86 2kpp n GLU 50 Ca 0.00 -2.55 -0.18 0.00 -0.02 0.00 0.00 57.16 54.42 2kpp n GLU 50 Cb 0.00 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.66 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 -2.29 0.64 0.08 3.49 1.70 -0.60 -4.57 118.95 117.39 2kpp s ARG 51 Ca 0.34 -0.33 0.08 0.00 -0.47 0.00 0.00 55.73 55.35 2kpp s ARG 51 Cb 0.26 -0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 34.00 2kpp s ARG 51 CO 0.09 0.16 -0.21 -1.50 -1.08 0.00 0.00 175.30 172.76 2kpp s ILE 52 N -0.29 1.75 0.23 4.99 2.07 -0.24 -0.59 121.20 129.11 2kpp s ILE 52 Ca 0.02 -1.40 -0.12 0.00 -1.41 0.00 0.00 60.65 57.74 2kpp s ILE 52 Cb -0.04 -1.55 -0.00 0.00 0.13 0.00 0.00 42.46 41.00 2kpp s ILE 52 CO -0.00 0.08 0.44 0.00 -1.91 0.00 0.00 174.94 173.55 2kpp s ARG 53 N -1.57 1.46 -0.30 3.50 1.70 -0.35 -0.52 118.95 122.87 2kpp s ARG 53 Ca 0.08 -1.22 -0.20 0.00 -0.47 0.00 0.00 55.73 53.91 2kpp s ARG 53 Cb -0.09 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2kpp s ARG 53 CO 0.03 -0.59 0.61 0.42 -1.08 0.00 0.00 175.30 174.69 2kpp s ILE 54 N -4.00 4.96 -0.01 4.99 1.01 -1.26 -0.77 121.20 126.11 2kpp s ILE 54 Ca 0.21 0.86 -0.17 0.00 0.00 0.00 0.00 60.65 61.55 2kpp s ILE 54 Cb 0.00 -3.97 -0.33 0.00 0.01 0.00 0.00 42.46 38.17 2kpp s ILE 54 CO 0.07 -0.10 0.89 0.50 0.00 0.00 0.00 174.94 176.30 2kpp h LYS 55 N 8.16 0.44 -2.05 2.79 3.64 -0.73 -3.43 116.57 125.39 2kpp h LYS 55 Ca -0.27 -0.75 -0.04 0.00 -1.27 0.00 0.00 60.65 58.33 2kpp h LYS 55 Cb 1.12 0.28 -0.21 0.00 -0.41 0.00 0.00 32.23 33.01 2kpp h LYS 55 CO 0.79 1.36 0.09 -2.00 -2.27 0.00 0.00 179.45 177.42 2kpp s GLU 56 N -2.54 0.80 0.17 1.90 2.56 -1.15 -5.02 118.70 115.42 2kpp s GLU 56 Ca -0.12 1.01 -0.24 0.00 0.00 0.00 0.00 54.97 55.62 2kpp s GLU 56 Cb 0.03 0.36 0.06 0.00 2.00 0.00 0.00 34.13 36.58 2kpp s GLU 56 CO 0.89 -0.11 0.82 0.16 -0.56 0.00 0.00 175.26 176.46 2kpp s ASP 57 N 0.55 -0.30 -0.80 -1.70 -4.77 -1.26 0.05 116.67 108.45 2kpp s ASP 57 Ca -0.01 -0.34 0.02 0.00 -3.30 0.00 0.00 52.55 48.92 2kpp s ASP 57 Cb -0.05 0.56 0.31 0.00 -1.09 0.00 0.00 42.92 42.66 2kpp s ASP 57 CO -0.02 -1.00 1.24 -0.46 0.70 0.00 0.00 175.17 175.63 2kpp n ASN 58 N -0.42 5.47 -4.61 2.11 6.94 -1.23 -5.03 115.26 118.49 2kpp n ASN 58 Ca -0.08 -3.60 -0.34 0.00 -0.02 0.00 0.00 54.58 50.54 2kpp n ASN 58 Cb 0.61 -0.87 -0.11 0.00 -2.36 0.00 0.00 39.78 37.06 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 -2.41 4.94 0.49 0.53 0.15 -1.26 -4.86 113.70 111.27 2kpp s SER 59 Ca 0.41 0.03 0.22 0.00 0.70 0.00 0.00 55.95 57.31 2kpp s SER 59 Cb 0.19 -1.42 1.26 0.00 -1.71 0.00 0.00 66.02 64.34 2kpp s SER 59 CO -0.07 0.33 2.04 1.55 1.20 0.00 0.00 173.24 178.29 2kpp h PRO 60 N 5.49 0.00 0.11 5.44 0.13 -1.97 -3.13 132.00 138.07 2kpp h PRO 60 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 2kpp h PRO 60 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kpp h PRO 60 CO 0.55 0.15 -1.52 0.38 -0.23 0.00 0.00 178.00 177.33 2kpp h ASP 61 N 0.00 0.35 -1.78 1.44 3.04 -2.02 -3.48 116.42 113.97 2kpp h ASP 61 Ca -0.00 -0.84 -0.30 0.00 -3.24 0.00 0.00 57.03 52.64 2kpp h ASP 61 Cb 0.33 -0.12 -0.04 0.00 -1.04 0.00 0.00 39.33 38.46 2kpp h ASP 61 CO 0.02 1.66 -0.36 0.00 -2.04 0.00 0.00 179.24 178.52 2kpp n GLN 62 N -3.88 -1.17 -0.31 4.15 1.13 -1.18 -4.91 117.38 111.21 2kpp n GLN 62 Ca -0.27 0.82 -0.01 0.00 -1.94 0.00 0.00 57.00 55.60 2kpp n GLN 62 Cb 0.91 -5.11 0.12 0.00 0.11 0.00 0.00 30.24 26.28 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 1.10 -0.39 5.09 2.07 -1.91 -1.57 116.25 120.64 2kpp h VAL 63 Ca -0.35 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 66.88 2kpp h VAL 63 Cb 1.19 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2kpp h VAL 63 CO 0.43 0.19 0.08 1.23 0.02 0.00 0.00 177.57 179.52 2kpp h GLY 64 N 1.03 0.45 0.98 2.17 0.00 -1.91 0.26 103.07 106.04 2kpp h GLY 64 Ca 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 2kpp h GLY 64 CO -0.14 -0.03 0.24 -2.08 0.00 0.00 0.00 176.54 174.53 2kpp h VAL 65 N 0.21 1.20 -0.40 4.60 2.07 -1.73 -2.71 116.25 119.48 2kpp h VAL 65 Ca 0.18 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2kpp h VAL 65 Cb 0.21 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2kpp h VAL 65 CO -0.24 0.22 0.26 0.11 0.02 0.00 0.00 177.57 177.95 2kpp h LYS 66 N 0.68 0.50 -0.36 1.57 1.57 -0.75 -1.48 116.57 118.30 2kpp h LYS 66 Ca 0.18 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2kpp h LYS 66 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2kpp h LYS 66 CO -0.02 0.33 0.25 0.52 -0.57 0.00 0.00 179.45 179.95 2kpp h MET 67 N 0.51 0.22 0.00 3.15 2.86 -0.62 -3.47 114.93 117.58 2kpp h MET 67 Ca 0.15 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2kpp h MET 67 Cb -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2kpp h MET 67 CO -0.03 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.49 2kpp n GLY 68 N -1.54 2.23 3.69 8.32 0.00 -0.56 -4.67 105.19 112.65 2kpp n GLY 68 Ca 0.04 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 3.46 0.03 1.61 0.52 -1.26 -4.30 118.94 119.00 2kpp s TRP 69 Ca 0.00 1.08 0.05 0.00 0.02 0.00 0.00 56.10 57.25 2kpp s TRP 69 Cb 0.00 -2.81 -0.03 0.00 -1.15 0.00 0.00 33.47 29.48 2kpp s TRP 69 CO 0.00 -0.07 -0.13 0.15 0.02 0.00 0.00 176.95 176.93 2kpp s LYS 70 N 1.46 2.29 0.00 4.98 -0.14 0.32 -4.94 119.74 123.71 2kpp s LYS 70 Ca 0.33 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 54.07 2kpp s LYS 70 Cb -0.16 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 2kpp s LYS 70 CO 0.13 0.56 0.06 -1.13 -0.76 0.00 0.00 175.35 174.22 2kpp n SER 71 N 1.50 0.00 -4.24 2.83 3.41 -1.26 -1.07 113.62 114.78 2kpp n SER 71 Ca -0.16 -1.00 -0.17 0.00 -0.26 0.00 0.00 58.87 57.29 2kpp n SER 71 Cb 0.52 0.00 -0.11 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 1.03 0.12 4.33 -0.14 -1.26 -4.92 119.74 118.90 2kpp s LYS 72 Ca 0.00 -1.30 -0.32 0.00 -1.36 0.00 0.00 55.97 52.99 2kpp s LYS 72 Cb 0.00 -0.81 -0.12 0.00 -1.68 0.00 0.00 37.83 35.22 2kpp s LYS 72 CO 0.00 0.14 1.76 0.00 -0.76 0.00 0.00 175.35 176.49 2kpp n ALA 73 N 0.31 1.92 0.00 5.17 0.00 -1.26 -1.78 120.51 124.88 2kpp n ALA 73 Ca -0.14 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2kpp n ALA 73 Cb 0.58 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2kpp n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpp n GLY 74 N 4.01 2.59 3.72 0.00 0.00 0.21 -5.00 105.19 110.72 2kpp n GLY 74 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.20 6.79 0.29 1.61 1.01 -0.73 -4.81 116.67 119.62 2kpp s ASP 75 Ca 0.00 2.42 0.05 0.00 0.71 0.00 0.00 52.55 55.72 2kpp s ASP 75 Cb 0.00 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 2kpp s ASP 75 CO 0.00 -0.65 0.00 0.42 0.21 0.00 0.00 175.17 175.15 2kpp s THR 76 N 0.75 1.31 -0.05 -1.27 -4.23 -1.26 -0.43 115.64 110.46 2kpp s THR 76 Ca 0.63 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2kpp s THR 76 Cb -0.38 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 70.92 2kpp s THR 76 CO 0.34 -0.18 0.02 -0.63 -0.54 0.00 0.00 174.62 173.62 2kpp s ILE 77 N -3.23 0.18 -0.23 2.99 -1.09 0.15 -4.96 121.20 115.01 2kpp s ILE 77 Ca 0.32 0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 2kpp s ILE 77 Cb 0.06 -0.34 0.01 0.00 -1.58 0.00 0.00 42.46 40.61 2kpp s ILE 77 CO 0.13 0.20 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.28 2kpp s VAL 78 N 1.68 3.05 -0.56 2.92 1.01 -1.26 -1.26 120.40 125.98 2kpp s VAL 78 Ca -0.00 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.24 2kpp s VAL 78 Cb -0.13 -2.45 0.14 0.00 0.00 0.00 0.00 36.38 33.94 2kpp s VAL 78 CO -0.03 0.33 0.33 0.00 0.00 0.00 0.00 175.10 175.72 2kpp h LEU 80 N 6.16 -0.43 0.00 0.00 3.38 -1.97 -0.33 115.31 122.12 2kpp h LEU 80 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kpp h LEU 80 Cb 0.86 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2kpp h LEU 80 CO 0.64 -0.26 0.00 -2.65 0.09 0.00 0.00 178.44 176.26 2kpp n PRO 81 N -5.28 0.46 0.00 1.13 -0.02 -1.26 -1.41 135.00 128.62 2kpp n PRO 81 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2kpp n PRO 81 Cb 0.24 -1.49 -0.00 0.00 -0.02 0.00 0.00 33.50 32.22 2kpp n PRO 81 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2kpp n HIS 82 N -0.99 0.00 -2.42 6.00 8.25 -1.07 -5.00 115.22 119.99 2kpp n HIS 82 Ca 0.11 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.38 2kpp n HIS 82 Cb 0.05 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.67 -1.82 -4.76 -0.41 5.02 -0.21 -4.85 118.16 110.46 2kpp n LYS 83 Ca 0.00 0.92 -0.33 0.00 -2.02 0.00 0.00 58.31 56.88 2kpp n LYS 83 Cb 0.02 -5.49 -0.12 0.00 -0.02 0.00 0.00 35.03 29.41 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 -2.97 3.34 -0.05 -0.18 1.01 -0.76 -1.20 120.40 119.59 2kpp s VAL 84 Ca 0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2kpp s VAL 84 Cb -0.01 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 34.06 2kpp s VAL 84 CO 0.03 0.59 0.10 0.12 0.00 0.00 0.00 175.10 175.94 2kpp s PHE 85 N -0.64 -0.06 -0.07 5.22 5.36 0.21 -1.03 117.98 126.96 2kpp s PHE 85 Ca 0.09 0.36 0.04 0.00 -0.96 0.00 0.00 56.93 56.46 2kpp s PHE 85 Cb -0.11 -0.25 -0.02 0.00 -0.34 0.00 0.00 43.02 42.30 2kpp s PHE 85 CO 0.01 -0.17 -0.19 0.08 -1.46 0.00 0.00 175.22 173.50 2kpp s VAL 86 N 1.59 2.63 0.00 3.12 1.01 -0.39 -0.58 120.40 127.79 2kpp s VAL 86 Ca -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2kpp s VAL 86 Cb -0.12 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2kpp s VAL 86 CO -0.04 0.57 -0.09 -1.83 0.00 0.00 0.00 175.10 173.70 2kpp s GLU 87 N -0.21 0.71 -0.32 2.72 -1.05 -0.25 0.29 118.70 120.59 2kpp s GLU 87 Ca -0.01 -0.38 -0.12 0.00 -0.15 0.00 0.00 54.97 54.32 2kpp s GLU 87 Cb -0.13 -0.68 -0.02 0.00 -0.44 0.00 0.00 34.13 32.86 2kpp s GLU 87 CO 0.03 0.18 0.20 0.42 0.95 0.00 0.00 175.26 177.05 2kpp s ILE 88 N -0.33 5.05 0.35 1.83 1.01 0.43 -0.36 121.20 129.18 2kpp s ILE 88 Ca 0.02 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.51 2kpp s ILE 88 Cb -0.04 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2kpp s ILE 88 CO -0.00 0.05 0.21 -1.59 0.00 0.00 0.00 174.94 173.61 2kpp s LYS 89 N 1.69 2.47 0.10 2.79 -2.85 -0.56 -0.62 119.74 122.76 2kpp s LYS 89 Ca 0.06 -1.51 -0.03 0.00 -1.00 0.00 0.00 55.97 53.48 2kpp s LYS 89 Cb -0.17 -2.26 -0.05 0.00 -2.06 0.00 0.00 37.83 33.29 2kpp s LYS 89 CO 0.09 0.05 0.31 0.45 0.10 0.00 0.00 175.35 176.35 2kpp s SER 90 N -3.92 6.45 0.00 0.03 0.15 -1.26 -0.32 113.70 114.82 2kpp s SER 90 Ca 0.40 0.48 0.30 0.00 0.70 0.00 0.00 55.95 57.83 2kpp s SER 90 Cb -0.03 -2.05 1.54 0.00 -1.71 0.00 0.00 66.02 63.77 2kpp s SER 90 CO 0.24 0.12 2.06 0.35 1.20 0.00 0.00 173.24 177.21 2kpp n THR 91 N 0.29 0.00 0.00 6.45 -2.24 -0.59 -4.41 114.28 113.79 2kpp n THR 91 Ca -0.04 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2kpp n THR 91 Cb 0.52 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2kpp n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kpp n GLN 92 N -1.24 0.00 -3.64 -0.78 6.02 -1.26 -5.08 117.38 111.41 2kpp n GLN 92 Ca 0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.08 2kpp n GLN 92 Cb 0.23 -0.18 -0.07 0.00 1.02 0.00 0.00 30.24 31.25 2kpp n GLN 92 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kpp s LYS 93 N 0.00 0.67 -0.04 -1.09 -2.85 -1.26 -5.16 119.74 110.01 2kpp s LYS 93 Ca 0.00 1.17 0.05 0.00 -1.00 0.00 0.00 55.97 56.19 2kpp s LYS 93 Cb 0.00 0.15 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 2kpp s LYS 93 CO 0.00 -0.14 -0.19 -0.51 0.10 0.00 0.00 175.35 174.61 2kpp s ASP 94 N 1.64 2.31 0.22 0.03 1.01 -1.26 -4.90 116.67 115.72 2kpp s ASP 94 Ca -0.10 -0.37 -0.13 0.00 0.71 0.00 0.00 52.55 52.66 2kpp s ASP 94 Cb -0.05 -0.54 -0.08 0.00 1.01 0.00 0.00 42.92 43.26 2kpp s ASP 94 CO -0.19 0.19 0.61 -0.55 0.21 0.00 0.00 175.17 175.43 2kpp s SER 95 N -0.11 6.76 0.28 0.27 0.15 -1.26 -5.09 113.70 114.70 2kpp s SER 95 Ca -0.01 1.09 0.03 0.00 0.70 0.00 0.00 55.95 57.77 2kpp s SER 95 Cb -0.11 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2kpp s SER 95 CO 0.02 -0.04 0.20 -0.54 1.20 0.00 0.00 173.24 174.08 2kpp s LYS 96 N -2.51 1.52 0.44 5.44 1.02 -1.26 -5.17 119.74 119.22 2kpp s LYS 96 Ca 0.45 -1.86 -0.08 0.00 0.02 0.00 0.00 55.97 54.51 2kpp s LYS 96 Cb -0.13 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 2kpp s LYS 96 CO 0.20 -0.52 0.77 -0.51 -0.92 0.00 0.00 175.35 174.37 2kpp s ASP 97 N -3.30 6.41 0.39 2.83 1.11 -1.26 -5.00 116.67 117.85 2kpp s ASP 97 Ca 0.39 1.04 0.08 0.00 0.18 0.00 0.00 52.55 54.25 2kpp s ASP 97 Cb 0.05 -2.29 0.79 0.00 1.07 0.00 0.00 42.92 42.53 2kpp s ASP 97 CO 0.20 -0.47 1.94 1.55 1.18 0.00 0.00 175.17 179.57 2kpp h PRO 98 N 0.83 0.33 -5.53 8.23 0.13 -2.06 -3.39 132.00 130.54 2kpp h PRO 98 Ca -0.47 -0.06 -0.25 0.00 -0.87 0.00 0.00 66.00 64.35 2kpp h PRO 98 Cb 1.19 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2kpp h PRO 98 CO 0.63 0.39 0.70 -0.51 -0.23 0.00 0.00 178.00 178.98 2kpp s ASP 99 N -6.84 4.78 -1.08 1.44 1.11 -1.26 -4.86 116.67 109.97 2kpp s ASP 99 Ca -0.06 -0.97 -0.06 0.00 0.18 0.00 0.00 52.55 51.64 2kpp s ASP 99 Cb 0.16 -2.57 0.29 0.00 1.07 0.00 0.00 42.92 41.86 2kpp s ASP 99 CO 0.73 -3.20 1.25 0.41 1.18 0.00 0.00 175.17 175.54 2kpp n THR 100 N 8.08 4.78 -3.62 -1.27 -1.04 -1.26 -4.98 114.28 114.97 2kpp n THR 100 Ca 0.43 -5.60 -0.14 0.00 -2.04 0.00 0.00 64.05 56.70 2kpp n THR 100 Cb 0.46 -2.36 -0.06 0.00 -1.82 0.00 0.00 70.33 66.55 2kpp n THR 100 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kpp s ASP 101 N -0.12 -0.39 -0.24 8.00 2.15 -1.26 -5.16 116.67 119.65 2kpp s ASP 101 Ca 0.31 0.17 -0.07 0.00 0.43 0.00 0.00 52.55 53.39 2kpp s ASP 101 Cb -0.03 0.45 -0.03 0.00 -0.30 0.00 0.00 42.92 43.01 2kpp s ASP 101 CO -0.00 -0.66 0.06 -1.48 -0.17 0.00 0.00 175.17 172.92 2kpp s LEU 102 N -1.81 3.43 0.22 -1.34 0.05 -1.26 -4.95 118.68 113.02 2kpp s LEU 102 Ca -0.07 -0.20 0.22 0.00 0.05 0.00 0.00 54.13 54.13 2kpp s LEU 102 Cb -0.01 -1.91 0.03 0.00 -2.05 0.00 0.00 46.19 42.24 2kpp s LEU 102 CO 0.00 -0.02 1.09 0.40 -0.55 0.00 0.00 176.35 177.27 2kpp h ILE 103 N 5.51 0.03 -3.97 1.48 2.04 -2.01 -3.48 117.51 117.11 2kpp h ILE 103 Ca -0.38 -1.06 -0.51 0.00 1.00 0.00 0.00 64.86 63.90 2kpp h ILE 103 Cb 1.17 1.58 0.06 0.00 -0.74 0.00 0.00 36.82 38.90 2kpp h ILE 103 CO 0.59 0.02 0.51 0.68 0.00 0.00 0.00 178.15 179.95 2kpp s VAL 104 N -3.32 3.04 -0.49 1.67 -7.23 -1.26 -4.96 120.40 107.85 2kpp s VAL 104 Ca 0.00 0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 60.73 2kpp s VAL 104 Cb 0.09 -3.45 -0.00 0.00 0.56 0.00 0.00 36.38 33.57 2kpp s VAL 104 CO 0.78 0.05 1.63 -2.16 -0.31 0.00 0.00 175.10 175.09 2kpp s PRO 105 N -2.46 3.18 -0.69 4.82 0.04 -1.26 -4.93 135.00 133.70 2kpp s PRO 105 Ca 0.60 0.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.22 2kpp s PRO 105 Cb -0.31 -4.20 -0.08 0.00 0.04 0.00 0.00 34.50 29.95 2kpp s PRO 105 CO 0.39 -2.06 2.25 0.54 0.04 0.00 0.00 177.00 178.16 2kpp s ASN 106 N 5.73 4.47 0.77 6.66 4.22 -1.26 -4.88 114.94 130.65 2kpp s ASN 106 Ca 0.65 0.29 -0.11 0.00 -2.14 0.00 0.00 52.86 51.55 2kpp s ASN 106 Cb -0.15 -2.53 0.06 0.00 1.28 0.00 0.00 41.25 39.90 2kpp s ASN 106 CO 0.27 -3.16 1.09 -0.76 -2.04 0.00 0.00 177.10 172.50 2kpp s LEU 107 N 12.36 2.99 0.34 3.54 1.43 -1.24 -5.06 118.68 133.03 2kpp s LEU 107 Ca 0.86 1.77 0.07 0.00 -1.03 0.00 0.00 54.13 55.80 2kpp s LEU 107 Cb -0.13 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 2kpp s LEU 107 CO 0.14 -2.00 0.43 -1.83 0.23 0.00 0.00 176.35 173.31 2kpp s GLU 108 N -4.93 3.00 -0.30 1.70 4.04 -1.26 -4.95 118.70 116.00 2kpp s GLU 108 Ca 0.61 -1.10 -0.10 0.00 0.04 0.00 0.00 54.97 54.41 2kpp s GLU 108 Cb -0.17 -2.72 0.18 0.00 0.02 0.00 0.00 34.13 31.44 2kpp s GLU 108 CO 0.56 0.06 0.99 -1.58 -1.84 0.00 0.00 175.26 173.45 2kpp s HIS 109 N -2.22 -0.66 0.31 4.83 2.46 -1.26 -5.07 115.29 113.67 2kpp s HIS 109 Ca 0.44 0.55 0.06 0.00 0.47 0.00 0.00 55.06 56.58 2kpp s HIS 109 Cb -0.08 0.18 0.84 0.00 -0.13 0.00 0.00 32.58 33.38 2kpp s HIS 109 CO 0.30 -0.37 1.64 0.45 -2.47 0.00 0.00 174.74 174.28 2kpp h HIS 110 N 7.72 0.46 -1.34 3.88 3.86 -2.07 -3.44 115.15 124.22 2kpp h HIS 110 Ca -0.11 0.05 -0.43 0.00 -1.16 0.00 0.00 60.37 58.72 2kpp h HIS 110 Cb 1.17 -0.05 -0.14 0.00 1.06 0.00 0.00 27.41 29.45 2kpp h HIS 110 CO 0.01 -0.25 -0.41 1.58 0.86 0.00 0.00 177.93 179.72 2kpp n HIS 111 N -5.22 -0.17 -3.57 2.45 -0.00 -1.26 -4.93 115.22 102.51 2kpp n HIS 111 Ca 0.25 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.03 2kpp n HIS 111 Cb 0.80 -3.57 -0.11 0.00 -0.12 0.00 0.00 29.99 26.99 2kpp n HIS 111 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kpp s HIS 112 N -2.82 3.21 0.86 1.57 5.04 -1.26 -5.09 115.29 116.81 2kpp s HIS 112 Ca 0.00 -0.24 -0.11 0.00 -1.54 0.00 0.00 55.06 53.17 2kpp s HIS 112 Cb 0.00 -2.43 0.15 0.00 0.04 0.00 0.00 32.58 30.34 2kpp s HIS 112 CO 0.00 -0.35 1.19 -3.38 -2.34 0.00 0.00 174.74 169.86 2kpp s HIS 113 N 1.70 1.88 -2.06 3.88 -3.43 -1.26 -5.29 115.29 110.71 2kpp s HIS 113 Ca 0.06 0.23 0.32 0.00 -0.80 0.00 0.00 55.06 54.86 2kpp s HIS 113 Cb -0.17 -3.68 1.81 0.00 -1.43 0.00 0.00 32.58 29.11 2kpp s HIS 113 CO 0.10 -2.19 2.17 0.72 -2.00 0.00 0.00 174.74 173.54