#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 2.06 -0.28 0.03 -0.14 -1.26 -5.12 119.74 115.03 2kpp s LYS 2 Ca 0.00 -1.29 -0.05 0.00 -1.36 0.00 0.00 55.97 53.27 2kpp s LYS 2 Cb 0.00 -2.15 0.02 0.00 -1.68 0.00 0.00 37.83 34.02 2kpp s LYS 2 CO 0.00 0.43 0.03 -0.80 -0.76 0.00 0.00 175.35 174.25 2kpp s ASN 3 N -2.88 4.84 -0.01 2.83 0.02 -1.26 -5.04 114.94 113.44 2kpp s ASN 3 Ca 0.25 -0.82 -0.00 0.00 -1.02 0.00 0.00 52.86 51.27 2kpp s ASN 3 Cb -0.09 -1.79 0.01 0.00 0.02 0.00 0.00 41.25 39.40 2kpp s ASN 3 CO 0.15 -0.18 0.02 0.28 0.02 0.00 0.00 177.10 177.39 2kpp s THR 4 N 1.42 -0.02 -0.21 1.60 -1.32 -1.26 -5.09 115.64 110.75 2kpp s THR 4 Ca 0.01 0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.39 2kpp s THR 4 Cb -0.17 -0.04 -0.19 0.00 -1.51 0.00 0.00 72.50 70.59 2kpp s THR 4 CO -0.00 0.04 0.14 0.61 -2.21 0.00 0.00 174.62 173.20 2kpp n GLY 5 N 3.54 -0.77 3.58 6.08 0.00 -1.26 -4.71 105.19 111.64 2kpp n GLY 5 Ca -0.19 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2kpp n GLY 5 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kpp s ASP 6 N -6.96 5.53 -0.52 1.61 -4.77 -1.26 -4.91 116.67 105.40 2kpp s ASP 6 Ca -0.30 -1.69 -0.28 0.00 -3.30 0.00 0.00 52.55 46.98 2kpp s ASP 6 Cb 0.07 -2.58 0.01 0.00 -1.09 0.00 0.00 42.92 39.33 2kpp s ASP 6 CO 0.59 -2.52 1.38 -1.61 0.70 0.00 0.00 175.17 173.71 2kpp s GLU 7 N 5.96 3.41 0.12 2.11 2.02 -1.26 -4.77 118.70 126.28 2kpp s GLU 7 Ca 0.64 0.57 0.06 0.00 0.02 0.00 0.00 54.97 56.27 2kpp s GLU 7 Cb -0.00 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 2kpp s GLU 7 CO 0.09 -1.79 -0.05 0.14 0.02 0.00 0.00 175.26 173.66 2kpp s VAL 8 N 5.73 3.63 0.00 2.63 -7.23 -1.26 -0.10 120.40 123.80 2kpp s VAL 8 Ca 0.54 -1.23 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 2kpp s VAL 8 Cb -0.11 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2kpp s VAL 8 CO 0.27 0.06 -0.14 0.68 -0.31 0.00 0.00 175.10 175.67 2kpp s VAL 9 N -1.36 1.10 -0.34 1.32 -7.23 0.35 -1.71 120.40 112.53 2kpp s VAL 9 Ca 0.24 -0.69 -0.21 0.00 -1.81 0.00 0.00 61.98 59.51 2kpp s VAL 9 Cb -0.11 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.89 2kpp s VAL 9 CO 0.16 0.24 0.67 0.00 -0.31 0.00 0.00 175.10 175.86 2kpp s ALA 10 N -0.45 3.47 -0.39 1.32 0.00 0.55 -1.32 121.76 124.94 2kpp s ALA 10 Ca 0.05 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 2kpp s ALA 10 Cb -0.06 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2kpp s ALA 10 CO -0.00 -1.31 0.43 0.42 0.00 0.00 0.00 175.76 175.30 2kpp s ILE 11 N 2.77 5.10 -0.35 0.00 -1.09 0.08 -1.40 121.20 126.31 2kpp s ILE 11 Ca 0.26 -0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.40 2kpp s ILE 11 Cb -0.14 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 2kpp s ILE 11 CO 0.14 -0.30 0.28 -0.63 -1.23 0.00 0.00 174.94 173.21 2kpp s ILE 12 N 2.14 5.25 -0.06 2.92 1.09 0.25 -1.16 121.20 131.64 2kpp s ILE 12 Ca 0.13 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.49 2kpp s ILE 12 Cb -0.17 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.43 2kpp s ILE 12 CO 0.13 -0.08 -0.12 -0.44 -0.10 0.00 0.00 174.94 174.33 2kpp s SER 13 N 1.72 4.21 -0.04 3.58 0.01 -0.29 -0.94 113.70 121.94 2kpp s SER 13 Ca 0.08 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2kpp s SER 13 Cb -0.17 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2kpp s SER 13 CO 0.11 0.35 -0.13 -1.58 0.41 0.00 0.00 173.24 172.39 2kpp s GLN 14 N -0.72 1.40 -0.05 12.44 0.74 0.11 -0.50 119.66 133.07 2kpp s GLN 14 Ca 0.11 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.06 2kpp s GLN 14 Cb -0.11 -1.25 0.00 0.00 1.10 0.00 0.00 33.01 32.75 2kpp s GLN 14 CO 0.01 0.18 0.00 0.09 -0.55 0.00 0.00 175.29 175.02 2kpp n ASN 15 N 3.22 -5.09 0.00 6.67 4.13 0.09 -0.82 115.26 123.46 2kpp n ASN 15 Ca -0.18 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.09 2kpp n ASN 15 Cb 0.53 -3.08 0.00 0.00 -1.54 0.00 0.00 39.78 35.69 2kpp n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kpp n GLY 16 N 0.82 0.81 3.55 7.41 0.00 -1.26 -5.11 105.19 111.41 2kpp n GLY 16 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.45 2.36 -0.18 1.61 -2.85 0.00 -5.10 119.74 115.14 2kpp s LYS 17 Ca 0.00 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 53.84 2kpp s LYS 17 Cb 0.00 -2.38 -0.01 0.00 -2.06 0.00 0.00 37.83 33.37 2kpp s LYS 17 CO 0.00 0.57 1.26 0.08 0.10 0.00 0.00 175.35 177.37 2kpp s VAL 18 N -1.00 4.28 -0.04 1.79 1.01 -1.26 0.04 120.40 125.21 2kpp s VAL 18 Ca 0.17 1.54 0.13 0.00 0.00 0.00 0.00 61.98 63.81 2kpp s VAL 18 Cb -0.11 -4.02 -0.19 0.00 0.00 0.00 0.00 36.38 32.06 2kpp s VAL 18 CO 0.07 -0.16 0.29 2.30 0.00 0.00 0.00 175.10 177.60 2kpp n ILE 19 N 5.44 0.00 -3.63 2.22 -5.35 -0.12 -4.94 119.36 112.98 2kpp n ILE 19 Ca 0.14 -0.28 -0.09 0.00 -0.27 0.00 0.00 62.75 62.25 2kpp n ILE 19 Cb 0.45 0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.53 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 -2.84 0.48 -0.08 6.28 6.06 -1.07 -5.04 118.95 122.74 2kpp s ARG 20 Ca -0.04 0.50 0.04 0.00 -2.50 0.00 0.00 55.73 53.73 2kpp s ARG 20 Cb 0.08 0.23 0.00 0.00 0.06 0.00 0.00 34.95 35.33 2kpp s ARG 20 CO 0.52 -0.07 -0.20 -1.21 -2.50 0.00 0.00 175.30 171.84 2kpp s GLU 21 N 0.04 2.45 -0.14 5.12 8.01 -1.26 -0.58 118.70 132.34 2kpp s GLU 21 Ca 0.03 -0.70 0.02 0.00 0.01 0.00 0.00 54.97 54.33 2kpp s GLU 21 Cb -0.04 -1.93 0.01 0.00 -4.31 0.00 0.00 34.13 27.86 2kpp s GLU 21 CO -0.06 0.15 -0.20 0.42 0.01 0.00 0.00 175.26 175.58 2kpp s ILE 22 N 0.38 1.93 -0.11 -1.63 1.09 -0.49 -4.97 121.20 117.39 2kpp s ILE 22 Ca -0.15 -0.89 -0.30 0.00 -1.10 0.00 0.00 60.65 58.21 2kpp s ILE 22 Cb -0.16 -1.72 -0.03 0.00 -1.06 0.00 0.00 42.46 39.49 2kpp s ILE 22 CO 0.06 0.52 1.34 -2.16 -0.10 0.00 0.00 174.94 174.61 2kpp s PRO 23 N 0.92 4.24 -0.15 2.79 0.04 -1.26 -0.33 135.00 141.25 2kpp s PRO 23 Ca -0.05 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 2kpp s PRO 23 Cb -0.15 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2kpp s PRO 23 CO -0.03 -0.69 -0.22 1.28 0.04 0.00 0.00 177.00 177.38 2kpp n LEU 24 N 6.40 1.83 -4.69 -3.56 4.77 -0.69 -4.62 117.00 116.44 2kpp n LEU 24 Ca 0.14 0.55 -0.44 0.00 -0.03 0.00 0.00 56.01 56.23 2kpp n LEU 24 Cb 0.44 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 2kpp n LEU 24 CO 0.57 -0.42 1.35 0.41 -1.33 0.00 0.00 177.39 177.98 2kpp n THR 25 N -4.55 0.14 -0.93 -5.08 -1.04 -1.19 -1.43 114.28 100.19 2kpp n THR 25 Ca -0.09 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2kpp n THR 25 Cb 0.33 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 2kpp n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kpp n GLY 26 N 3.90 0.80 3.53 3.41 0.00 -1.26 -4.83 105.19 110.74 2kpp n GLY 26 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.36 2.72 0.09 1.61 5.04 -0.51 -5.00 115.29 115.89 2kpp s HIS 27 Ca 0.00 0.03 -0.24 0.00 -1.54 0.00 0.00 55.06 53.31 2kpp s HIS 27 Cb 0.00 -4.20 -0.07 0.00 0.04 0.00 0.00 32.58 28.35 2kpp s HIS 27 CO 0.00 -1.46 0.72 -1.59 -2.34 0.00 0.00 174.74 170.07 2kpp s LYS 28 N 4.24 4.45 0.00 2.88 -2.85 -1.26 -3.89 119.74 123.31 2kpp s LYS 28 Ca 0.32 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.30 2kpp s LYS 28 Cb -0.12 -3.30 0.00 0.00 -2.06 0.00 0.00 37.83 32.35 2kpp s LYS 28 CO 0.20 0.46 0.00 0.41 0.10 0.00 0.00 175.35 176.52 2kpp n GLY 29 N 1.98 0.74 3.35 0.59 0.00 -1.26 -4.92 105.19 105.66 2kpp n GLY 29 Ca -0.06 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 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 0.00 3.31 -0.04 1.61 3.84 -1.26 -0.76 114.94 121.64 2kpp s ASN 30 Ca 0.00 -0.40 -0.01 0.00 0.21 0.00 0.00 52.86 52.66 2kpp s ASN 30 Cb 0.00 -0.51 0.03 0.00 -0.55 0.00 0.00 41.25 40.22 2kpp s ASN 30 CO 0.00 0.32 0.03 -0.70 -2.79 0.00 0.00 177.10 173.96 2kpp s GLU 31 N -0.61 0.11 0.06 0.43 2.56 0.34 -5.01 118.70 116.58 2kpp s GLU 31 Ca 0.09 0.23 0.04 0.00 0.00 0.00 0.00 54.97 55.34 2kpp s GLU 31 Cb -0.10 -0.51 -0.03 0.00 2.00 0.00 0.00 34.13 35.49 2kpp s GLU 31 CO -0.00 -0.25 -0.13 -0.65 -0.56 0.00 0.00 175.26 173.67 2kpp s GLN 32 N 1.63 0.78 -0.07 4.30 -0.21 -1.26 -0.33 119.66 124.50 2kpp s GLN 32 Ca -0.02 -0.85 -0.22 0.00 0.02 0.00 0.00 55.36 54.30 2kpp s GLN 32 Cb -0.13 -0.74 0.05 0.00 1.00 0.00 0.00 33.01 33.19 2kpp s GLN 32 CO -0.03 0.17 0.50 -0.59 -2.12 0.00 0.00 175.29 173.22 2kpp s PHE 33 N -1.16 -0.45 -0.14 0.91 -0.71 -1.02 -5.04 117.98 110.37 2kpp s PHE 33 Ca -0.03 0.85 -0.07 0.00 -1.04 0.00 0.00 56.93 56.65 2kpp s PHE 33 Cb -0.09 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 2kpp s PHE 33 CO 0.02 -0.45 0.11 0.99 -1.34 0.00 0.00 175.22 174.55 2kpp s THR 34 N -0.91 5.27 -0.38 -4.49 2.01 -1.26 -1.65 115.64 114.23 2kpp s THR 34 Ca -0.10 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 2kpp s THR 34 Cb -0.03 -3.32 0.10 0.00 0.01 0.00 0.00 72.50 69.26 2kpp s THR 34 CO 0.06 0.56 0.15 -0.63 -0.69 0.00 0.00 174.62 174.07 2kpp s ILE 35 N -0.58 3.19 -0.51 1.82 1.01 0.78 -4.92 121.20 122.00 2kpp s ILE 35 Ca 0.12 -1.91 -0.28 0.00 0.00 0.00 0.00 60.65 58.58 2kpp s ILE 35 Cb -0.12 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.25 2kpp s ILE 35 CO 0.02 -0.55 1.39 -0.54 0.00 0.00 0.00 174.94 175.26 2kpp s LYS 36 N 1.16 3.42 0.00 2.79 1.02 -1.26 0.44 119.74 127.31 2kpp s LYS 36 Ca 0.05 0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.65 2kpp s LYS 36 Cb -0.22 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 2kpp s LYS 36 CO -0.04 -1.78 0.00 0.41 -0.92 0.00 0.00 175.35 173.03 2kpp n GLY 37 N 5.17 0.96 3.63 -3.33 0.00 -0.04 -4.96 105.19 106.62 2kpp n GLY 37 Ca 0.14 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2kpp n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kpp s LYS 38 N 1.98 3.93 5.52 1.61 -0.14 -1.25 -4.75 119.74 126.63 2kpp s LYS 38 Ca 0.00 1.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.86 2kpp s LYS 38 Cb 0.00 -3.87 0.00 0.00 -1.68 0.00 0.00 37.83 32.28 2kpp s LYS 38 CO 0.00 -1.09 0.00 0.41 -0.76 0.00 0.00 175.35 173.91 2kpp n GLY 39 N 4.27 1.57 0.23 -3.33 0.00 -1.26 -2.60 105.19 104.06 2kpp n GLY 39 Ca 0.15 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 9.23 2.58 -2.23 4.61 0.00 -1.26 -4.73 120.51 128.71 2kpp n ALA 40 Ca 0.00 -0.29 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 2kpp n ALA 40 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.92 2.94 0.53 0.00 -0.21 -1.07 -4.92 119.66 115.00 2kpp s GLN 41 Ca 0.32 -1.11 -0.03 0.00 0.02 0.00 0.00 55.36 54.56 2kpp s GLN 41 Cb 0.16 -5.27 0.01 0.00 1.00 0.00 0.00 33.01 28.90 2kpp s GLN 41 CO 0.25 -3.27 0.80 1.52 -2.12 0.00 0.00 175.29 172.46 2kpp s TYR 42 N 8.69 3.18 -0.20 0.91 1.13 -1.26 -0.86 117.35 128.95 2kpp s TYR 42 Ca 0.63 0.39 -0.02 0.00 -1.41 0.00 0.00 57.07 56.66 2kpp s TYR 42 Cb -0.01 -2.58 0.06 0.00 -1.10 0.00 0.00 41.96 38.33 2kpp s TYR 42 CO 0.06 -0.66 0.02 1.21 -2.51 0.00 0.00 175.55 173.67 2kpp s ASN 43 N -4.29 3.09 -0.52 -0.18 3.04 0.17 -3.21 114.94 113.04 2kpp s ASN 43 Ca 0.52 -0.89 -0.18 0.00 0.04 0.00 0.00 52.86 52.35 2kpp s ASN 43 Cb -0.10 -0.72 0.07 0.00 -1.54 0.00 0.00 41.25 38.97 2kpp s ASN 43 CO 0.41 -0.29 0.60 -0.22 -3.04 0.00 0.00 177.10 174.57 2kpp s LEU 44 N 1.76 5.23 0.02 3.21 2.96 -0.07 -0.15 118.68 131.64 2kpp s LEU 44 Ca -0.02 -1.15 -0.13 0.00 -0.22 0.00 0.00 54.13 52.62 2kpp s LEU 44 Cb -0.17 -2.36 -0.06 0.00 0.50 0.00 0.00 46.19 44.10 2kpp s LEU 44 CO -0.08 -0.91 0.39 -0.04 -1.32 0.00 0.00 176.35 174.40 2kpp s MET 45 N 2.44 3.84 -0.13 1.98 -1.94 -0.66 -2.32 119.30 122.51 2kpp s MET 45 Ca 0.12 0.31 -0.00 0.00 -1.71 0.00 0.00 55.69 54.41 2kpp s MET 45 Cb -0.22 -3.15 0.02 0.00 2.01 0.00 0.00 34.83 33.50 2kpp s MET 45 CO 0.09 0.66 -0.11 -2.00 -0.01 0.00 0.00 175.02 173.65 2kpp s GLU 46 N -1.34 1.89 -0.40 2.03 2.12 0.49 -2.43 118.70 121.05 2kpp s GLU 46 Ca 0.26 -0.42 -0.10 0.00 0.36 0.00 0.00 54.97 55.07 2kpp s GLU 46 Cb -0.16 -1.87 0.06 0.00 0.26 0.00 0.00 34.13 32.42 2kpp s GLU 46 CO 0.14 -0.26 0.24 0.08 -0.54 0.00 0.00 175.26 174.92 2kpp s VAL 47 N 1.60 4.40 -0.42 3.70 1.01 0.55 -1.22 120.40 130.02 2kpp s VAL 47 Ca 0.05 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 2kpp s VAL 47 Cb -0.13 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.77 2kpp s VAL 47 CO -0.09 -0.39 0.25 -0.62 0.00 0.00 0.00 175.10 174.25 2kpp s ASP 48 N 1.88 5.45 1.66 3.32 2.15 0.56 -0.50 116.67 131.19 2kpp s ASP 48 Ca 0.02 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.16 2kpp s ASP 48 Cb -0.21 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 2kpp s ASP 48 CO 0.04 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 2kpp n GLY 49 N 4.76 1.40 1.13 2.66 0.00 0.07 -2.39 105.19 112.82 2kpp n GLY 49 Ca -0.06 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 3.40 -4.08 1.61 1.02 -1.25 -4.39 120.64 116.95 2kpp n GLU 50 Ca 0.00 -2.87 -0.13 0.00 -0.02 0.00 0.00 57.16 54.13 2kpp n GLU 50 Cb 0.00 -1.91 -0.12 0.00 -0.02 0.00 0.00 31.44 29.39 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 -2.67 0.47 0.01 3.49 1.70 -1.00 -4.61 118.95 116.34 2kpp s ARG 51 Ca 0.44 -0.57 0.03 0.00 -0.47 0.00 0.00 55.73 55.16 2kpp s ARG 51 Cb 0.35 -0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 2kpp s ARG 51 CO 0.11 0.06 -0.11 -1.50 -1.08 0.00 0.00 175.30 172.79 2kpp s ILE 52 N -1.01 0.82 0.25 4.99 2.07 -0.09 -0.32 121.20 127.91 2kpp s ILE 52 Ca -0.07 -0.63 -0.22 0.00 -1.41 0.00 0.00 60.65 58.32 2kpp s ILE 52 Cb -0.08 -0.72 0.03 0.00 0.13 0.00 0.00 42.46 41.82 2kpp s ILE 52 CO 0.00 0.09 0.73 0.00 -1.91 0.00 0.00 174.94 173.85 2kpp s ARG 53 N -0.61 1.67 -0.19 3.50 1.04 -0.36 -1.19 118.95 122.81 2kpp s ARG 53 Ca 0.02 -0.90 -0.18 0.00 -1.04 0.00 0.00 55.73 53.63 2kpp s ARG 53 Cb -0.05 0.59 -0.03 0.00 -2.04 0.00 0.00 34.95 33.41 2kpp s ARG 53 CO 0.00 -0.76 0.52 0.42 -0.04 0.00 0.00 175.30 175.44 2kpp s ILE 54 N -3.84 5.11 -0.14 4.99 1.01 -1.26 -0.38 121.20 126.69 2kpp s ILE 54 Ca 0.10 0.96 0.10 0.00 0.00 0.00 0.00 60.65 61.81 2kpp s ILE 54 Cb -0.05 -3.84 -0.23 0.00 0.01 0.00 0.00 42.46 38.34 2kpp s ILE 54 CO 0.04 0.19 0.29 2.29 0.00 0.00 0.00 174.94 177.75 2kpp n LYS 55 N 4.72 0.67 -3.83 2.79 2.85 -0.98 -4.79 118.16 119.59 2kpp n LYS 55 Ca -0.05 0.17 -0.12 0.00 -1.05 0.00 0.00 58.31 57.26 2kpp n LYS 55 Cb 0.50 -1.65 -0.13 0.00 -0.65 0.00 0.00 35.03 33.11 2kpp n LYS 55 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2kpp s GLU 56 N -2.54 0.15 -0.21 -1.58 2.56 -1.23 -5.07 118.70 110.77 2kpp s GLU 56 Ca -0.14 0.17 -0.28 0.00 0.00 0.00 0.00 54.97 54.73 2kpp s GLU 56 Cb 0.07 0.07 0.12 0.00 2.00 0.00 0.00 34.13 36.39 2kpp s GLU 56 CO 0.78 -0.02 1.00 0.34 -0.56 0.00 0.00 175.26 176.80 2kpp s ASP 57 N 0.07 -0.42 -0.67 -1.70 2.15 -1.26 -0.89 116.67 113.96 2kpp s ASP 57 Ca -0.00 0.61 0.01 0.00 0.43 0.00 0.00 52.55 53.61 2kpp s ASP 57 Cb -0.01 0.56 0.38 0.00 -0.30 0.00 0.00 42.92 43.55 2kpp s ASP 57 CO 0.00 -0.27 1.56 0.59 -0.17 0.00 0.00 175.17 176.88 2kpp n ASN 58 N 1.37 6.13 -4.45 -0.34 4.13 -1.20 -4.97 115.26 115.93 2kpp n ASN 58 Ca -0.12 -3.77 -0.36 0.00 1.68 0.00 0.00 54.58 52.01 2kpp n ASN 58 Cb 0.57 -0.78 -0.12 0.00 -1.54 0.00 0.00 39.78 37.90 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2kpp s SER 59 N -2.29 5.02 0.51 6.41 0.01 -1.26 -4.82 113.70 117.28 2kpp s SER 59 Ca 0.49 -0.20 0.22 0.00 1.31 0.00 0.00 55.95 57.78 2kpp s SER 59 Cb 0.40 -1.89 1.31 0.00 0.21 0.00 0.00 66.02 66.06 2kpp s SER 59 CO -0.29 0.00 2.00 1.55 0.41 0.00 0.00 173.24 176.92 2kpp h PRO 60 N 7.94 0.08 -0.13 12.44 0.13 -2.01 -0.10 132.00 150.35 2kpp h PRO 60 Ca -0.38 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.56 2kpp h PRO 60 Cb 1.17 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kpp h PRO 60 CO 0.60 0.06 -0.68 -0.44 -0.23 0.00 0.00 178.00 177.30 2kpp h ASP 61 N 0.09 0.63 -0.70 1.44 5.19 -2.01 -3.47 116.42 117.59 2kpp h ASP 61 Ca 0.25 -0.39 -0.28 0.00 -0.62 0.00 0.00 57.03 55.99 2kpp h ASP 61 Cb 0.86 -0.18 -0.11 0.00 0.18 0.00 0.00 39.33 40.08 2kpp h ASP 61 CO -0.02 1.13 -0.25 0.00 -3.12 0.00 0.00 179.24 176.97 2kpp n GLN 62 N -3.90 -1.62 0.01 3.56 1.13 -0.05 -4.88 117.38 111.62 2kpp n GLN 62 Ca -0.05 0.96 -0.10 0.00 -1.94 0.00 0.00 57.00 55.88 2kpp n GLN 62 Cb 0.68 -5.35 -0.03 0.00 0.11 0.00 0.00 30.24 25.64 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 0.64 -0.91 5.09 2.07 -1.86 -1.15 116.25 120.13 2kpp h VAL 63 Ca -0.28 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2kpp h VAL 63 Cb 1.20 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2kpp h VAL 63 CO 0.41 0.00 0.59 1.23 0.02 0.00 0.00 177.57 179.82 2kpp h GLY 64 N -0.17 1.34 0.92 2.17 0.00 -1.82 -1.99 103.07 103.52 2kpp h GLY 64 Ca 0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2kpp h GLY 64 CO -0.21 0.28 -0.08 -2.08 0.00 0.00 0.00 176.54 174.44 2kpp h VAL 65 N 1.01 1.28 0.00 4.60 2.07 -1.73 -3.05 116.25 120.43 2kpp h VAL 65 Ca 0.40 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2kpp h VAL 65 Cb 0.25 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2kpp h VAL 65 CO -0.16 0.37 -0.15 0.11 0.02 0.00 0.00 177.57 177.76 2kpp h LYS 66 N 0.43 0.00 -0.98 1.57 1.57 -0.76 -2.87 116.57 115.53 2kpp h LYS 66 Ca 0.08 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.10 2kpp h LYS 66 Cb 0.58 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 2kpp h LYS 66 CO 0.03 0.15 0.65 0.52 -0.57 0.00 0.00 179.45 180.23 2kpp h MET 67 N 0.00 0.36 0.00 3.15 2.86 -1.26 -3.48 114.93 116.57 2kpp h MET 67 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2kpp h MET 67 Cb 0.33 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2kpp h MET 67 CO 0.02 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.64 2kpp n GLY 68 N -1.52 -1.01 3.63 8.32 0.00 -1.09 -4.76 105.19 108.77 2kpp n GLY 68 Ca 0.22 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 2.20 0.09 1.61 0.52 -1.26 -4.55 118.94 117.56 2kpp s TRP 69 Ca 0.00 0.61 0.03 0.00 0.02 0.00 0.00 56.10 56.76 2kpp s TRP 69 Cb 0.00 -3.98 -0.04 0.00 -1.15 0.00 0.00 33.47 28.30 2kpp s TRP 69 CO 0.00 -2.70 0.08 0.15 0.02 0.00 0.00 176.95 174.50 2kpp s LYS 70 N 4.61 2.86 0.00 4.98 -0.14 -0.33 -4.93 119.74 126.79 2kpp s LYS 70 Ca 0.69 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 2kpp s LYS 70 Cb -0.23 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 2kpp s LYS 70 CO 0.28 0.55 0.00 -1.13 -0.76 0.00 0.00 175.35 174.30 2kpp n SER 71 N 0.36 0.00 -4.86 2.83 3.41 -1.26 -0.91 113.62 113.19 2kpp n SER 71 Ca -0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.21 2kpp n SER 71 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.68 3.81 -0.29 4.33 1.02 -1.26 -4.91 119.74 121.76 2kpp s LYS 72 Ca 0.00 0.72 -0.28 0.00 0.02 0.00 0.00 55.97 56.43 2kpp s LYS 72 Cb 0.00 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 2kpp s LYS 72 CO 0.00 -0.25 1.86 0.00 -0.92 0.00 0.00 175.35 176.04 2kpp s ALA 73 N -2.66 2.91 0.00 5.17 0.00 -1.26 -1.53 121.76 124.38 2kpp s ALA 73 Ca 0.55 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2kpp s ALA 73 Cb -0.10 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.02 2kpp s ALA 73 CO 0.36 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 173.98 2kpp n GLY 74 N 5.38 1.50 3.71 0.00 0.00 0.38 -4.98 105.19 111.18 2kpp n GLY 74 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.48 6.64 0.24 1.61 1.01 -0.58 -4.80 116.67 119.31 2kpp s ASP 75 Ca 0.00 2.53 0.05 0.00 0.71 0.00 0.00 52.55 55.84 2kpp s ASP 75 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 2kpp s ASP 75 CO 0.00 -0.80 -0.04 0.42 0.21 0.00 0.00 175.17 174.96 2kpp s THR 76 N 1.37 1.32 -0.09 -1.27 -4.23 -1.26 -1.49 115.64 109.99 2kpp s THR 76 Ca 0.69 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 2kpp s THR 76 Cb -0.42 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.12 2kpp s THR 76 CO 0.31 -0.37 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.27 2kpp s ILE 77 N -3.23 1.19 -0.21 2.99 -1.09 0.83 -5.00 121.20 116.68 2kpp s ILE 77 Ca 0.27 -0.46 -0.00 0.00 -2.23 0.00 0.00 60.65 58.23 2kpp s ILE 77 Cb 0.04 -1.12 0.02 0.00 -1.58 0.00 0.00 42.46 39.82 2kpp s ILE 77 CO 0.09 0.38 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.36 2kpp s VAL 78 N 1.08 2.52 -0.71 2.92 1.01 -1.26 -1.29 120.40 124.66 2kpp s VAL 78 Ca -0.06 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.00 2kpp s VAL 78 Cb -0.14 -2.18 0.17 0.00 0.00 0.00 0.00 36.38 34.22 2kpp s VAL 78 CO -0.02 0.36 0.51 0.00 0.00 0.00 0.00 175.10 175.96 2kpp h LEU 80 N 5.51 -1.53 0.00 0.00 3.38 -1.96 0.41 115.31 121.13 2kpp h LEU 80 Ca 0.13 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2kpp h LEU 80 Cb 0.77 0.54 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2kpp h LEU 80 CO 0.73 -0.60 0.00 -0.81 0.09 0.00 0.00 178.44 177.85 2kpp n PRO 81 N -5.52 0.02 -0.00 1.13 -0.04 -1.26 -1.21 135.00 128.12 2kpp n PRO 81 Ca -0.10 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2kpp n PRO 81 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 2kpp n PRO 81 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kpp n HIS 82 N -1.47 0.00 -2.17 0.54 8.25 -0.83 -4.59 115.22 114.94 2kpp n HIS 82 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 2kpp n HIS 82 Cb 0.11 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.45 -1.62 -3.85 -0.41 5.02 0.07 -4.44 118.16 111.47 2kpp n LYS 83 Ca 0.03 1.08 -0.36 0.00 -2.02 0.00 0.00 58.31 57.03 2kpp n LYS 83 Cb 0.27 -5.66 -0.11 0.00 -0.02 0.00 0.00 35.03 29.51 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 -2.96 4.67 -0.13 -0.18 1.01 -0.96 -0.73 120.40 121.13 2kpp s VAL 84 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2kpp s VAL 84 Cb 0.00 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2kpp s VAL 84 CO 0.00 0.38 -0.05 0.12 0.00 0.00 0.00 175.10 175.54 2kpp s PHE 85 N 1.08 1.44 -0.20 5.22 5.36 0.35 -1.00 117.98 130.23 2kpp s PHE 85 Ca 0.05 -0.79 -0.06 0.00 -0.96 0.00 0.00 56.93 55.17 2kpp s PHE 85 Cb -0.14 -1.20 -0.03 0.00 -0.34 0.00 0.00 43.02 41.31 2kpp s PHE 85 CO 0.03 -0.53 0.01 0.08 -1.46 0.00 0.00 175.22 173.36 2kpp s VAL 86 N 1.72 4.08 -0.10 3.12 1.01 -0.41 -1.14 120.40 128.67 2kpp s VAL 86 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2kpp s VAL 86 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2kpp s VAL 86 CO -0.08 0.42 -0.17 -1.83 0.00 0.00 0.00 175.10 173.44 2kpp s GLU 87 N 1.01 2.37 -0.39 2.72 -1.05 -0.31 -0.12 118.70 122.93 2kpp s GLU 87 Ca 0.02 -0.62 -0.22 0.00 -0.15 0.00 0.00 54.97 54.00 2kpp s GLU 87 Cb -0.14 -1.95 0.01 0.00 -0.44 0.00 0.00 34.13 31.61 2kpp s GLU 87 CO 0.02 -0.01 0.71 0.42 0.95 0.00 0.00 175.26 177.36 2kpp s ILE 88 N 0.82 4.78 0.15 1.83 1.01 -0.55 -0.74 121.20 128.49 2kpp s ILE 88 Ca -0.10 0.55 0.10 0.00 0.00 0.00 0.00 60.65 61.20 2kpp s ILE 88 Cb -0.16 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2kpp s ILE 88 CO 0.01 -0.49 -0.17 -1.59 0.00 0.00 0.00 174.94 172.70 2kpp s LYS 89 N 2.98 1.80 -0.17 2.79 -2.85 -0.44 -0.47 119.74 123.37 2kpp s LYS 89 Ca 0.27 -1.29 -0.21 0.00 -1.00 0.00 0.00 55.97 53.75 2kpp s LYS 89 Cb -0.13 -2.06 -0.03 0.00 -2.06 0.00 0.00 37.83 33.55 2kpp s LYS 89 CO 0.18 0.45 0.61 0.45 0.10 0.00 0.00 175.35 177.14 2kpp s SER 90 N -2.48 6.71 0.43 0.03 0.15 -1.26 -0.49 113.70 116.78 2kpp s SER 90 Ca 0.21 0.85 0.17 0.00 0.70 0.00 0.00 55.95 57.88 2kpp s SER 90 Cb -0.09 -2.34 0.97 0.00 -1.71 0.00 0.00 66.02 62.84 2kpp s SER 90 CO 0.12 -0.22 1.92 0.71 1.20 0.00 0.00 173.24 176.97 2kpp h THR 91 N 5.08 1.03 -3.28 6.45 1.35 -0.86 -3.41 112.91 119.27 2kpp h THR 91 Ca -0.34 -0.95 -0.57 0.00 -0.55 0.00 0.00 66.41 64.00 2kpp h THR 91 Cb 1.15 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 69.06 2kpp h THR 91 CO 0.77 0.26 0.46 -1.10 -0.25 0.00 0.00 175.52 175.65 2kpp s GLN 92 N -4.25 4.36 -0.40 4.72 -1.52 -1.24 -4.96 119.66 116.37 2kpp s GLN 92 Ca -0.03 1.18 -0.44 0.00 -1.95 0.00 0.00 55.36 54.11 2kpp s GLN 92 Cb 0.14 -3.55 -0.19 0.00 -0.22 0.00 0.00 33.01 29.19 2kpp s GLN 92 CO 0.68 -0.30 1.60 0.36 -0.25 0.00 0.00 175.29 177.38 2kpp n LYS 93 N 5.06 0.34 -2.51 2.91 -0.00 -1.26 -4.93 118.16 117.78 2kpp n LYS 93 Ca 0.06 0.12 -0.24 0.00 -0.00 0.00 0.00 58.31 58.25 2kpp n LYS 93 Cb 0.49 -1.68 0.11 0.00 -0.00 0.00 0.00 35.03 33.95 2kpp n LYS 93 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2kpp s ASP 94 N 2.92 4.27 -0.30 -5.58 1.47 -1.26 -5.11 116.67 113.07 2kpp s ASP 94 Ca 1.02 -0.26 -0.01 0.00 1.18 0.00 0.00 52.55 54.48 2kpp s ASP 94 Cb -1.36 -0.11 0.19 0.00 -0.34 0.00 0.00 42.92 41.30 2kpp s ASP 94 CO 0.75 -1.92 0.73 -0.55 0.68 0.00 0.00 175.17 174.86 2kpp s SER 95 N -4.73 -1.21 0.30 2.11 0.15 -1.26 -5.18 113.70 103.88 2kpp s SER 95 Ca 0.67 0.40 0.08 0.00 0.70 0.00 0.00 55.95 57.80 2kpp s SER 95 Cb -0.05 1.87 -0.06 0.00 -1.71 0.00 0.00 66.02 66.07 2kpp s SER 95 CO 0.45 -0.22 -0.09 -0.54 1.20 0.00 0.00 173.24 174.04 2kpp s LYS 96 N 2.88 1.65 -0.02 5.44 1.02 -1.26 -5.11 119.74 124.34 2kpp s LYS 96 Ca 0.15 -1.83 -0.36 0.00 0.02 0.00 0.00 55.97 53.94 2kpp s LYS 96 Cb -0.10 -1.40 -0.15 0.00 -0.52 0.00 0.00 37.83 35.66 2kpp s LYS 96 CO -0.22 0.10 1.59 -0.40 -0.92 0.00 0.00 175.35 175.50 2kpp n ASP 97 N -0.65 2.48 -0.08 2.83 5.75 -1.26 -4.89 116.55 120.74 2kpp n ASP 97 Ca -0.05 1.07 0.12 0.00 -0.01 0.00 0.00 54.79 55.92 2kpp n ASP 97 Cb 0.63 -1.27 0.69 0.00 -1.03 0.00 0.00 41.12 40.14 2kpp n ASP 97 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2kpp n PRO 98 N 4.15 1.10 -1.67 0.11 -0.04 -1.26 -4.56 135.00 132.84 2kpp n PRO 98 Ca 0.21 -0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 2kpp n PRO 98 Cb 0.22 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2kpp n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kpp n ASP 99 N -0.72 3.81 -4.47 3.54 9.92 -1.26 -4.91 116.55 122.46 2kpp n ASP 99 Ca 0.18 -2.82 -0.43 0.00 -0.53 0.00 0.00 54.79 51.19 2kpp n ASP 99 Cb 0.12 -1.61 -0.03 0.00 -0.64 0.00 0.00 41.12 38.97 2kpp n ASP 99 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2kpp s THR 100 N 3.36 4.45 0.05 -3.53 -4.23 -1.26 -5.00 115.64 109.48 2kpp s THR 100 Ca 0.48 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.03 2kpp s THR 100 Cb 0.14 -4.80 -0.03 0.00 1.34 0.00 0.00 72.50 69.14 2kpp s THR 100 CO -0.07 -1.58 -0.21 -0.62 -0.54 0.00 0.00 174.62 171.60 2kpp s ASP 101 N 3.87 3.59 0.06 3.99 2.15 -1.26 -5.15 116.67 123.93 2kpp s ASP 101 Ca 0.32 -0.50 0.03 0.00 0.43 0.00 0.00 52.55 52.82 2kpp s ASP 101 Cb -0.07 -0.49 -0.03 0.00 -0.30 0.00 0.00 42.92 42.03 2kpp s ASP 101 CO -0.03 0.25 -0.08 -1.48 -0.17 0.00 0.00 175.17 173.65 2kpp s LEU 102 N -1.46 2.33 -0.40 -1.34 0.05 -1.26 -5.12 118.68 111.48 2kpp s LEU 102 Ca 0.14 -0.68 -0.22 0.00 0.05 0.00 0.00 54.13 53.41 2kpp s LEU 102 Cb -0.10 -0.19 0.02 0.00 -2.05 0.00 0.00 46.19 43.86 2kpp s LEU 102 CO 0.05 -0.26 0.73 -0.63 -0.55 0.00 0.00 176.35 175.69 2kpp s ILE 103 N -1.97 4.75 0.04 1.48 1.09 -1.26 -5.03 121.20 120.31 2kpp s ILE 103 Ca -0.03 0.56 -0.30 0.00 -1.10 0.00 0.00 60.65 59.78 2kpp s ILE 103 Cb -0.06 -4.22 -0.08 0.00 -1.06 0.00 0.00 42.46 37.04 2kpp s ILE 103 CO -0.01 -0.53 1.77 0.68 -0.10 0.00 0.00 174.94 176.75 2kpp s VAL 104 N 3.05 3.08 -0.53 2.92 -7.23 -1.26 -4.97 120.40 115.45 2kpp s VAL 104 Ca 0.28 0.34 -0.25 0.00 -1.81 0.00 0.00 61.98 60.55 2kpp s VAL 104 Cb -0.13 -3.22 0.04 0.00 0.56 0.00 0.00 36.38 33.63 2kpp s VAL 104 CO 0.19 -0.02 0.95 -2.16 -0.31 0.00 0.00 175.10 173.75 2kpp s PRO 105 N 3.48 3.38 -0.21 4.82 0.04 -1.26 -5.03 135.00 140.22 2kpp s PRO 105 Ca 0.79 -0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 2kpp s PRO 105 Cb -0.40 -4.03 -0.00 0.00 0.04 0.00 0.00 34.50 30.11 2kpp s PRO 105 CO 0.35 -1.44 1.18 1.21 0.04 0.00 0.00 177.00 178.34 2kpp s ASN 106 N 2.73 6.96 -0.69 6.66 2.47 -1.26 -4.98 114.94 126.84 2kpp s ASN 106 Ca 0.32 1.49 -0.27 0.00 0.42 0.00 0.00 52.86 54.82 2kpp s ASN 106 Cb -0.12 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.17 2kpp s ASN 106 CO 0.21 -0.78 1.28 -0.22 -3.72 0.00 0.00 177.10 173.87 2kpp s LEU 107 N 3.51 3.24 -1.16 3.21 2.96 -1.26 -4.95 118.68 124.22 2kpp s LEU 107 Ca 0.51 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 53.96 2kpp s LEU 107 Cb -0.18 -2.71 0.10 0.00 0.50 0.00 0.00 46.19 43.90 2kpp s LEU 107 CO 0.13 -1.77 1.50 -1.83 -1.32 0.00 0.00 176.35 173.06 2kpp s GLU 108 N 5.60 3.88 -1.30 1.98 -1.05 -1.26 -4.93 118.70 121.61 2kpp s GLU 108 Ca 0.38 -1.95 -0.18 0.00 -0.15 0.00 0.00 54.97 53.08 2kpp s GLU 108 Cb -0.08 -5.27 0.07 0.00 -0.44 0.00 0.00 34.13 28.41 2kpp s GLU 108 CO 0.18 -2.04 1.75 1.58 0.95 0.00 0.00 175.26 177.68 2kpp n HIS 109 N 7.45 4.63 -3.91 4.83 -0.00 -1.26 -4.95 115.22 122.01 2kpp n HIS 109 Ca 0.38 -2.87 -0.35 0.00 0.46 0.00 0.00 57.72 55.34 2kpp n HIS 109 Cb 0.47 -2.62 -0.11 0.00 -0.12 0.00 0.00 29.99 27.61 2kpp n HIS 109 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kpp s HIS 110 N 4.06 3.18 0.61 1.57 -3.43 -1.26 -5.10 115.29 114.92 2kpp s HIS 110 Ca 0.53 -0.11 -0.15 0.00 -0.80 0.00 0.00 55.06 54.53 2kpp s HIS 110 Cb 0.04 -2.15 -0.03 0.00 -1.43 0.00 0.00 32.58 29.01 2kpp s HIS 110 CO 0.07 -0.06 1.07 -3.38 -2.00 0.00 0.00 174.74 170.44 2kpp s HIS 111 N 0.92 2.93 -0.25 0.38 -3.43 -1.26 -5.07 115.29 109.51 2kpp s HIS 111 Ca 0.04 1.51 -0.06 0.00 -0.80 0.00 0.00 55.06 55.76 2kpp s HIS 111 Cb -0.14 -3.03 0.12 0.00 -1.43 0.00 0.00 32.58 28.10 2kpp s HIS 111 CO 0.03 -1.21 0.48 -1.58 -2.00 0.00 0.00 174.74 170.46 2kpp s HIS 112 N -2.45 -1.04 0.33 0.38 5.04 -1.26 -5.17 115.29 111.12 2kpp s HIS 112 Ca 0.64 1.56 0.04 0.00 -1.54 0.00 0.00 55.06 55.76 2kpp s HIS 112 Cb -0.17 0.38 -0.06 0.00 0.04 0.00 0.00 32.58 32.78 2kpp s HIS 112 CO 0.38 -0.64 0.06 -1.01 -2.34 0.00 0.00 174.74 171.20 2kpp s HIS 113 N 2.70 1.94 -0.14 3.88 3.76 -1.26 -5.36 115.29 120.81 2kpp s HIS 113 Ca 0.04 -0.98 0.01 0.00 -0.15 0.00 0.00 55.06 53.98 2kpp s HIS 113 Cb -0.13 -1.27 0.01 0.00 1.11 0.00 0.00 32.58 32.30 2kpp s HIS 113 CO -0.16 -0.02 0.53 0.72 -0.85 0.00 0.00 174.74 174.97