#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 0.23 -2.81 2.12 0.00 -1.26 -5.00 118.16 111.44 2kpp n LYS 2 Ca 0.00 -0.95 -0.43 0.00 -0.00 0.00 0.00 58.31 56.93 2kpp n LYS 2 Cb 0.00 -0.59 -0.02 0.00 -0.00 0.00 0.00 35.03 34.41 2kpp n LYS 2 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kpp s ASN 3 N -0.76 6.62 -0.21 -5.58 -0.87 -1.26 -4.97 114.94 107.91 2kpp s ASN 3 Ca 0.02 -1.92 0.01 0.00 -1.57 0.00 0.00 52.86 49.40 2kpp s ASN 3 Cb 0.02 -2.45 0.05 0.00 -0.02 0.00 0.00 41.25 38.84 2kpp s ASN 3 CO 0.00 -1.18 -0.09 0.42 -2.57 0.00 0.00 177.10 173.68 2kpp s THR 4 N 3.34 1.61 -0.54 1.60 -4.23 -1.26 -5.00 115.64 111.16 2kpp s THR 4 Ca 0.38 -1.08 0.23 0.00 -1.18 0.00 0.00 61.69 60.03 2kpp s THR 4 Cb -0.03 -1.75 -0.08 0.00 1.34 0.00 0.00 72.50 71.99 2kpp s THR 4 CO -0.09 0.08 1.06 0.61 -0.54 0.00 0.00 174.62 175.74 2kpp n GLY 5 N 4.68 -1.27 2.73 3.99 0.00 -1.26 -4.62 105.19 109.43 2kpp n GLY 5 Ca -0.14 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.10 4.65 -4.55 1.61 5.75 -1.26 -4.91 116.55 115.74 2kpp n ASP 6 Ca 0.02 -2.65 -0.36 0.00 -0.01 0.00 0.00 54.79 51.79 2kpp n ASP 6 Cb 0.46 -1.38 -0.03 0.00 -1.03 0.00 0.00 41.12 39.13 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 3.54 2.28 0.13 0.11 2.02 -1.26 -4.75 118.70 120.77 2kpp s GLU 7 Ca 0.53 1.03 0.06 0.00 0.02 0.00 0.00 54.97 56.61 2kpp s GLU 7 Cb 0.14 -4.53 -0.04 0.00 0.10 0.00 0.00 34.13 29.80 2kpp s GLU 7 CO -0.02 -3.13 -0.03 0.14 0.02 0.00 0.00 175.26 172.24 2kpp s VAL 8 N 11.10 3.71 0.02 2.63 -7.23 -1.26 -0.47 120.40 128.90 2kpp s VAL 8 Ca 0.85 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 59.83 2kpp s VAL 8 Cb -0.15 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2kpp s VAL 8 CO 0.23 0.02 -0.16 0.68 -0.31 0.00 0.00 175.10 175.56 2kpp s VAL 9 N -1.46 1.27 -0.30 1.32 -7.23 0.55 -1.35 120.40 113.21 2kpp s VAL 9 Ca 0.25 -0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 59.34 2kpp s VAL 9 Cb -0.11 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 2kpp s VAL 9 CO 0.17 0.19 0.57 0.00 -0.31 0.00 0.00 175.10 175.73 2kpp s ALA 10 N -0.62 3.55 -0.39 1.32 0.00 0.44 -1.24 121.76 124.81 2kpp s ALA 10 Ca 0.05 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 2kpp s ALA 10 Cb -0.07 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2kpp s ALA 10 CO 0.01 -0.97 0.59 0.42 0.00 0.00 0.00 175.76 175.80 2kpp s ILE 11 N 2.47 4.92 -0.29 0.00 -1.09 0.74 -1.48 121.20 126.47 2kpp s ILE 11 Ca 0.23 0.29 -0.13 0.00 -2.23 0.00 0.00 60.65 58.81 2kpp s ILE 11 Cb -0.15 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 2kpp s ILE 11 CO 0.11 -0.38 0.27 -0.63 -1.23 0.00 0.00 174.94 173.08 2kpp s ILE 12 N 2.61 5.25 0.05 2.92 1.09 0.10 -1.83 121.20 131.39 2kpp s ILE 12 Ca 0.21 0.26 0.08 0.00 -1.10 0.00 0.00 60.65 60.10 2kpp s ILE 12 Cb -0.15 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 2kpp s ILE 12 CO 0.16 0.16 -0.23 -0.94 -0.10 0.00 0.00 174.94 173.99 2kpp s SER 13 N 1.72 2.70 0.00 3.58 1.04 -0.08 -1.30 113.70 121.35 2kpp s SER 13 Ca 0.10 -0.56 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 2kpp s SER 13 Cb -0.16 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.73 2kpp s SER 13 CO 0.11 0.18 0.00 -1.58 0.98 0.00 0.00 173.24 172.93 2kpp s GLN 14 N -1.26 0.07 0.00 4.02 0.74 0.14 -0.33 119.66 123.04 2kpp s GLN 14 Ca 0.09 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.40 2kpp s GLN 14 Cb -0.09 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.04 2kpp s GLN 14 CO 0.02 -0.01 0.00 0.09 -0.55 0.00 0.00 175.29 174.84 2kpp n ASN 15 N 2.80 0.00 0.00 6.67 3.02 -0.11 -1.99 115.26 125.65 2kpp n ASN 15 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2kpp n ASN 15 Cb 0.59 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.81 1.99 3.19 7.41 0.00 -1.26 -4.80 105.19 109.90 2kpp n GLY 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.02 0.51 -0.12 1.61 -2.85 -0.84 -1.10 119.74 116.92 2kpp s LYS 17 Ca 0.00 -0.04 -0.29 0.00 -1.00 0.00 0.00 55.97 54.64 2kpp s LYS 17 Cb 0.00 0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 2kpp s LYS 17 CO 0.00 -0.12 1.29 0.08 0.10 0.00 0.00 175.35 176.70 2kpp s VAL 18 N -0.83 4.18 -0.02 1.79 1.01 -1.26 -0.68 120.40 124.58 2kpp s VAL 18 Ca -0.09 1.45 0.11 0.00 0.00 0.00 0.00 61.98 63.45 2kpp s VAL 18 Cb -0.05 -3.94 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 2kpp s VAL 18 CO 0.02 -0.09 0.22 2.30 0.00 0.00 0.00 175.10 177.55 2kpp n ILE 19 N 5.18 0.07 -3.58 2.22 -5.35 -0.42 -4.96 119.36 112.53 2kpp n ILE 19 Ca 0.14 -0.27 -0.08 0.00 -0.27 0.00 0.00 62.75 62.26 2kpp n ILE 19 Cb 0.45 0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 38.46 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 -2.71 0.53 -0.13 6.28 6.06 -1.06 -5.06 118.95 122.85 2kpp s ARG 20 Ca -0.04 0.02 -0.05 0.00 -2.50 0.00 0.00 55.73 53.16 2kpp s ARG 20 Cb 0.07 0.25 0.06 0.00 0.06 0.00 0.00 34.95 35.38 2kpp s ARG 20 CO 0.45 -0.19 0.27 -1.83 -2.50 0.00 0.00 175.30 171.51 2kpp s GLU 21 N -1.61 0.17 -0.17 5.12 -1.05 -1.26 0.01 118.70 119.91 2kpp s GLU 21 Ca 0.02 0.72 -0.05 0.00 -0.15 0.00 0.00 54.97 55.51 2kpp s GLU 21 Cb -0.01 -0.04 -0.03 0.00 -0.44 0.00 0.00 34.13 33.61 2kpp s GLU 21 CO -0.02 -0.25 0.01 0.42 0.95 0.00 0.00 175.26 176.36 2kpp s ILE 22 N 2.16 4.29 0.03 1.83 1.09 -0.55 -4.90 121.20 125.15 2kpp s ILE 22 Ca -0.01 -0.21 -0.30 0.00 -1.10 0.00 0.00 60.65 59.02 2kpp s ILE 22 Cb -0.12 -2.91 -0.06 0.00 -1.06 0.00 0.00 42.46 38.31 2kpp s ILE 22 CO -0.09 0.48 1.37 -2.16 -0.10 0.00 0.00 174.94 174.44 2kpp s PRO 23 N 0.39 4.31 -0.12 2.79 0.04 -1.26 -0.42 135.00 140.73 2kpp s PRO 23 Ca -0.01 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 2kpp s PRO 23 Cb -0.13 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 2kpp s PRO 23 CO 0.02 -0.50 -0.20 1.28 0.04 0.00 0.00 177.00 177.64 2kpp n LEU 24 N 4.86 1.42 -4.66 -3.56 4.77 -0.45 -4.52 117.00 114.84 2kpp n LEU 24 Ca 0.12 0.40 -0.48 0.00 -0.03 0.00 0.00 56.01 56.03 2kpp n LEU 24 Cb 0.44 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 2kpp n LEU 24 CO 0.58 -0.41 1.23 0.41 -1.33 0.00 0.00 177.39 177.88 2kpp n THR 25 N -4.01 0.14 0.00 -5.08 -1.04 -1.17 -0.75 114.28 102.37 2kpp n THR 25 Ca -0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2kpp n THR 25 Cb 0.29 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 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 3.56 2.96 3.57 3.41 0.00 -1.26 -4.78 105.19 112.65 2kpp n GLY 26 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.42 2.39 0.62 1.61 5.04 0.07 -4.96 115.29 118.65 2kpp s HIS 27 Ca 0.00 -0.64 -0.08 0.00 -1.54 0.00 0.00 55.06 52.80 2kpp s HIS 27 Cb 0.00 -4.45 0.00 0.00 0.04 0.00 0.00 32.58 28.17 2kpp s HIS 27 CO 0.00 -1.65 0.97 -1.59 -2.34 0.00 0.00 174.74 170.13 2kpp s LYS 28 N 5.32 2.98 1.24 2.88 -2.85 -1.26 -1.91 119.74 126.13 2kpp s LYS 28 Ca 0.58 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 2kpp s LYS 28 Cb 0.01 -2.18 0.00 0.00 -2.06 0.00 0.00 37.83 33.60 2kpp s LYS 28 CO 0.05 -0.78 0.00 0.41 0.10 0.00 0.00 175.35 175.14 2kpp n GLY 29 N -2.72 -1.73 3.40 0.59 0.00 -1.26 -4.81 105.19 98.66 2kpp n GLY 29 Ca 0.05 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 3.46 -0.11 1.61 3.84 -1.26 -0.77 114.94 117.72 2kpp s ASN 30 Ca 0.00 -0.59 -0.13 0.00 0.21 0.00 0.00 52.86 52.35 2kpp s ASN 30 Cb 0.00 -0.39 0.03 0.00 -0.55 0.00 0.00 41.25 40.35 2kpp s ASN 30 CO 0.00 0.23 0.36 -0.70 -2.79 0.00 0.00 177.10 174.19 2kpp s GLU 31 N -1.63 0.48 0.05 0.43 2.12 0.83 -4.98 118.70 116.01 2kpp s GLU 31 Ca 0.14 0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.86 2kpp s GLU 31 Cb -0.10 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.49 2kpp s GLU 31 CO 0.05 -0.08 -0.12 -0.65 -0.54 0.00 0.00 175.26 173.92 2kpp s GLN 32 N -0.15 0.76 -0.18 4.30 -0.21 -1.26 0.12 119.66 123.04 2kpp s GLN 32 Ca -0.03 -0.79 -0.16 0.00 0.02 0.00 0.00 55.36 54.40 2kpp s GLN 32 Cb -0.03 -0.72 0.05 0.00 1.00 0.00 0.00 33.01 33.31 2kpp s GLN 32 CO 0.01 0.16 0.48 -0.59 -2.12 0.00 0.00 175.29 173.24 2kpp s PHE 33 N -1.07 -0.54 -0.34 0.91 -0.71 -0.57 -5.01 117.98 110.65 2kpp s PHE 33 Ca -0.02 1.30 -0.11 0.00 -1.04 0.00 0.00 56.93 57.05 2kpp s PHE 33 Cb -0.09 0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.91 2kpp s PHE 33 CO 0.01 -0.26 0.20 0.99 -1.34 0.00 0.00 175.22 174.82 2kpp s THR 34 N 0.31 4.90 -0.58 -4.49 2.01 -1.26 -1.03 115.64 115.50 2kpp s THR 34 Ca -0.00 -0.41 -0.24 0.00 0.31 0.00 0.00 61.69 61.34 2kpp s THR 34 Cb -0.04 -3.55 0.05 0.00 0.01 0.00 0.00 72.50 68.97 2kpp s THR 34 CO -0.00 -0.02 0.97 -0.63 -0.69 0.00 0.00 174.62 174.24 2kpp s ILE 35 N 1.65 4.34 -0.23 1.82 1.01 0.40 -4.90 121.20 125.28 2kpp s ILE 35 Ca 0.05 0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.78 2kpp s ILE 35 Cb -0.18 -4.59 -0.05 0.00 0.01 0.00 0.00 42.46 37.66 2kpp s ILE 35 CO 0.08 -1.22 0.13 -0.54 0.00 0.00 0.00 174.94 173.40 2kpp s LYS 36 N 4.07 4.01 0.00 2.79 1.02 -1.26 -0.55 119.74 129.82 2kpp s LYS 36 Ca 0.29 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2kpp s LYS 36 Cb -0.13 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 2kpp s LYS 36 CO 0.17 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 2kpp n GLY 37 N 4.24 0.21 0.00 -3.33 0.00 -0.78 -5.03 105.19 100.51 2kpp n GLY 37 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2kpp n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kpp n LYS 38 N -1.26 1.74 -1.51 1.61 3.00 -1.22 -4.97 118.16 115.55 2kpp n LYS 38 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 2kpp n LYS 38 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 2kpp n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kpp n GLY 39 N 5.00 -0.33 3.83 3.14 0.00 -1.26 -0.89 105.19 114.68 2kpp n GLY 39 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 11.77 0.00 -2.58 4.61 0.00 -1.26 -4.94 120.51 128.12 2kpp n ALA 40 Ca 0.59 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.61 2kpp n ALA 40 Cb 0.15 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.47 3.65 0.10 0.00 -1.52 -0.07 -4.91 119.66 116.45 2kpp s GLN 41 Ca 0.00 0.24 -0.01 0.00 -1.95 0.00 0.00 55.36 53.64 2kpp s GLN 41 Cb 0.00 -3.86 -0.04 0.00 -0.22 0.00 0.00 33.01 28.89 2kpp s GLN 41 CO 0.00 -1.00 0.03 1.52 -0.25 0.00 0.00 175.29 175.59 2kpp s TYR 42 N 3.34 0.75 -0.15 0.91 1.13 -1.26 -1.86 117.35 120.21 2kpp s TYR 42 Ca 0.33 -1.18 -0.03 0.00 -1.41 0.00 0.00 57.07 54.79 2kpp s TYR 42 Cb -0.12 -0.45 0.05 0.00 -1.10 0.00 0.00 41.96 40.34 2kpp s TYR 42 CO 0.20 -0.47 0.03 -0.80 -2.51 0.00 0.00 175.55 172.00 2kpp s ASN 43 N -3.00 2.39 -0.61 -0.18 -0.87 0.29 -3.90 114.94 109.06 2kpp s ASN 43 Ca 0.18 -0.54 -0.25 0.00 -1.57 0.00 0.00 52.86 50.68 2kpp s ASN 43 Cb 0.08 -0.51 0.04 0.00 -0.02 0.00 0.00 41.25 40.84 2kpp s ASN 43 CO -0.02 -0.27 1.04 -0.22 -2.57 0.00 0.00 177.10 175.06 2kpp s LEU 44 N 1.92 3.90 0.07 0.60 2.96 0.83 -0.45 118.68 128.50 2kpp s LEU 44 Ca 0.01 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2kpp s LEU 44 Cb -0.15 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 2kpp s LEU 44 CO -0.07 -1.41 0.34 -0.04 -1.32 0.00 0.00 176.35 173.85 2kpp s MET 45 N 4.43 3.65 -0.08 1.98 -1.94 -0.20 0.14 119.30 127.28 2kpp s MET 45 Ca 0.32 -0.00 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 2kpp s MET 45 Cb -0.12 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.76 2kpp s MET 45 CO 0.18 0.57 -0.04 -2.00 -0.01 0.00 0.00 175.02 173.72 2kpp s GLU 46 N -2.07 1.02 -0.41 2.03 2.12 -0.04 -1.51 118.70 119.83 2kpp s GLU 46 Ca 0.33 -0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.45 2kpp s GLU 46 Cb -0.13 -1.16 0.05 0.00 0.26 0.00 0.00 34.13 33.15 2kpp s GLU 46 CO 0.19 -0.22 0.28 0.08 -0.54 0.00 0.00 175.26 175.06 2kpp s VAL 47 N 1.55 4.74 -0.26 3.70 1.01 0.12 -1.20 120.40 130.07 2kpp s VAL 47 Ca -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2kpp s VAL 47 Cb -0.13 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.57 2kpp s VAL 47 CO -0.04 -0.40 0.03 -0.62 0.00 0.00 0.00 175.10 174.07 2kpp s ASP 48 N 1.96 3.74 -0.30 3.32 2.15 0.45 -0.12 116.67 127.88 2kpp s ASP 48 Ca 0.03 -1.32 -0.01 0.00 0.43 0.00 0.00 52.55 51.68 2kpp s ASP 48 Cb -0.21 -0.95 -0.01 0.00 -0.30 0.00 0.00 42.92 41.45 2kpp s ASP 48 CO 0.06 -0.33 0.26 0.61 -0.17 0.00 0.00 175.17 175.60 2kpp n GLY 49 N 4.80 0.30 2.44 2.66 0.00 0.06 -3.90 105.19 111.54 2kpp n GLY 49 Ca -0.06 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.90 -1.26 -3.78 1.61 1.02 -0.80 -4.98 120.64 110.55 2kpp n GLU 50 Ca -0.05 1.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.97 2kpp n GLU 50 Cb 0.54 -5.32 -0.09 0.00 -0.02 0.00 0.00 31.44 26.55 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 -3.95 0.61 0.10 3.49 1.70 -1.25 -4.42 118.95 115.22 2kpp s ARG 51 Ca 0.00 -0.19 0.09 0.00 -0.47 0.00 0.00 55.73 55.16 2kpp s ARG 51 Cb 0.00 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 2kpp s ARG 51 CO 0.00 -0.16 -0.23 -1.50 -1.08 0.00 0.00 175.30 172.33 2kpp s ILE 52 N -1.22 1.88 0.24 4.99 2.07 -0.06 -0.41 121.20 128.68 2kpp s ILE 52 Ca -0.13 -1.53 -0.14 0.00 -1.41 0.00 0.00 60.65 57.44 2kpp s ILE 52 Cb -0.05 -1.68 0.00 0.00 0.13 0.00 0.00 42.46 40.86 2kpp s ILE 52 CO 0.03 0.06 0.50 0.00 -1.91 0.00 0.00 174.94 173.62 2kpp s ARG 53 N -1.77 1.52 -0.45 3.50 1.70 -0.34 -1.44 118.95 121.67 2kpp s ARG 53 Ca 0.09 -1.16 -0.25 0.00 -0.47 0.00 0.00 55.73 53.93 2kpp s ARG 53 Cb -0.10 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 2kpp s ARG 53 CO 0.04 -0.64 0.93 0.42 -1.08 0.00 0.00 175.30 174.97 2kpp s ILE 54 N -3.98 4.49 0.21 4.99 1.01 -1.26 -0.86 121.20 125.79 2kpp s ILE 54 Ca 0.19 0.81 0.09 0.00 0.00 0.00 0.00 60.65 61.74 2kpp s ILE 54 Cb -0.01 -4.42 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 2kpp s ILE 54 CO 0.06 -0.79 1.49 0.50 0.00 0.00 0.00 174.94 176.20 2kpp h LYS 55 N 9.00 0.00 -1.23 2.79 3.64 -0.61 -3.43 116.57 126.73 2kpp h LYS 55 Ca -0.24 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.30 2kpp h LYS 55 Cb 1.08 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.59 2kpp h LYS 55 CO 1.02 0.76 0.74 -2.00 -2.27 0.00 0.00 179.45 177.70 2kpp s GLU 56 N -3.27 0.19 0.05 1.90 2.56 -0.99 -5.02 118.70 114.13 2kpp s GLU 56 Ca -0.00 0.23 -0.27 0.00 0.00 0.00 0.00 54.97 54.93 2kpp s GLU 56 Cb 0.12 0.08 0.08 0.00 2.00 0.00 0.00 34.13 36.41 2kpp s GLU 56 CO 0.78 -0.02 0.69 0.16 -0.56 0.00 0.00 175.26 176.31 2kpp s ASP 57 N 0.23 -0.55 -1.21 -1.70 -4.77 -1.26 -0.12 116.67 107.29 2kpp s ASP 57 Ca 0.04 0.24 -0.07 0.00 -3.30 0.00 0.00 52.55 49.46 2kpp s ASP 57 Cb -0.05 0.53 0.22 0.00 -1.09 0.00 0.00 42.92 42.53 2kpp s ASP 57 CO -0.13 -0.77 1.78 -0.46 0.70 0.00 0.00 175.17 176.29 2kpp n ASN 58 N 0.09 5.79 -4.15 2.11 6.94 -1.25 -4.95 115.26 119.83 2kpp n ASN 58 Ca -0.16 -3.24 -0.24 0.00 -0.02 0.00 0.00 54.58 50.93 2kpp n ASN 58 Cb 0.62 -1.39 -0.15 0.00 -2.36 0.00 0.00 39.78 36.50 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2kpp s SER 59 N -0.16 1.95 0.42 0.53 1.04 -1.26 -4.90 113.70 111.31 2kpp s SER 59 Ca 0.37 -0.32 0.29 0.00 0.48 0.00 0.00 55.95 56.77 2kpp s SER 59 Cb 0.09 -0.21 1.11 0.00 0.10 0.00 0.00 66.02 67.11 2kpp s SER 59 CO 0.03 0.19 1.85 1.55 0.98 0.00 0.00 173.24 177.84 2kpp h PRO 60 N 5.64 0.00 0.00 4.02 0.13 -2.01 -3.24 132.00 136.53 2kpp h PRO 60 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2kpp h PRO 60 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kpp h PRO 60 CO 0.48 0.00 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.77 2kpp h ASP 61 N 0.00 0.00 -3.11 1.44 5.19 -1.99 -3.48 116.42 114.48 2kpp h ASP 61 Ca 0.00 -0.70 -0.37 0.00 -0.62 0.00 0.00 57.03 55.35 2kpp h ASP 61 Cb 0.52 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2kpp h ASP 61 CO 0.00 0.87 -0.46 0.00 -3.12 0.00 0.00 179.24 176.53 2kpp n GLN 62 N -4.65 -1.82 -0.13 3.56 1.13 -1.23 -4.89 117.38 109.36 2kpp n GLN 62 Ca -0.08 0.90 -0.04 0.00 -1.94 0.00 0.00 57.00 55.85 2kpp n GLN 62 Cb 0.35 -5.53 0.04 0.00 0.11 0.00 0.00 30.24 25.21 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 0.72 -0.01 5.09 2.07 -1.93 0.48 116.25 122.67 2kpp h VAL 63 Ca -0.43 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2kpp h VAL 63 Cb 1.31 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2kpp h VAL 63 CO 0.52 0.03 0.01 1.23 0.02 0.00 0.00 177.57 179.37 2kpp h GLY 64 N 0.16 0.00 1.09 2.17 0.00 -1.90 0.22 103.07 104.80 2kpp h GLY 64 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 2kpp h GLY 64 CO -0.31 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.07 2kpp h VAL 65 N 0.00 1.27 -0.47 4.60 2.07 -1.19 -1.71 116.25 120.81 2kpp h VAL 65 Ca 0.00 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 2kpp h VAL 65 Cb 0.02 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2kpp h VAL 65 CO -0.00 0.44 -0.03 0.11 0.02 0.00 0.00 177.57 178.10 2kpp h LYS 66 N 0.91 0.80 -0.42 1.57 6.56 -0.59 -3.12 116.57 122.28 2kpp h LYS 66 Ca 0.15 -0.23 0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2kpp h LYS 66 Cb 0.65 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.19 2kpp h LYS 66 CO 0.04 0.83 0.22 0.52 -2.06 0.00 0.00 179.45 179.00 2kpp h MET 67 N 0.74 0.44 0.00 3.15 2.86 -0.65 -3.48 114.93 117.99 2kpp h MET 67 Ca 0.14 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2kpp h MET 67 Cb 0.50 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2kpp h MET 67 CO 0.03 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.70 2kpp n GLY 68 N -1.22 1.25 3.58 8.32 0.00 -0.68 -4.64 105.19 111.80 2kpp n GLY 68 Ca 0.02 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 1.80 -0.07 1.61 0.52 -1.26 -4.22 118.94 117.32 2kpp s TRP 69 Ca 0.00 0.71 0.02 0.00 0.02 0.00 0.00 56.10 56.85 2kpp s TRP 69 Cb 0.00 -4.13 -0.03 0.00 -1.15 0.00 0.00 33.47 28.16 2kpp s TRP 69 CO 0.00 -2.54 -0.10 0.15 0.02 0.00 0.00 176.95 174.49 2kpp s LYS 70 N 6.23 2.74 0.00 4.98 -0.14 -0.52 -4.91 119.74 128.13 2kpp s LYS 70 Ca 0.72 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 2kpp s LYS 70 Cb -0.17 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 2kpp s LYS 70 CO 0.27 0.61 0.06 -1.13 -0.76 0.00 0.00 175.35 174.40 2kpp n SER 71 N 2.38 0.00 -4.43 2.83 3.41 -1.26 -0.89 113.62 115.67 2kpp n SER 71 Ca -0.18 -1.00 -0.29 0.00 -0.26 0.00 0.00 58.87 57.14 2kpp n SER 71 Cb 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.58 -0.31 4.33 -0.14 -1.26 -4.84 119.74 119.10 2kpp s LYS 72 Ca 0.00 -1.26 -0.29 0.00 -1.36 0.00 0.00 55.97 53.06 2kpp s LYS 72 Cb 0.00 -2.00 -0.07 0.00 -1.68 0.00 0.00 37.83 34.09 2kpp s LYS 72 CO 0.00 0.47 2.28 0.00 -0.76 0.00 0.00 175.35 177.33 2kpp n ALA 73 N 0.91 1.44 0.00 5.17 0.00 -1.26 -1.11 120.51 125.66 2kpp n ALA 73 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2kpp n ALA 73 Cb 0.53 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 5.96 1.60 3.80 0.00 0.00 -0.07 -4.98 105.19 111.50 2kpp n GLY 74 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.04 6.16 0.05 1.61 1.01 -0.26 -4.85 116.67 119.34 2kpp s ASP 75 Ca 0.00 1.91 -0.03 0.00 0.71 0.00 0.00 52.55 55.15 2kpp s ASP 75 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2kpp s ASP 75 CO 0.00 -0.91 0.02 0.42 0.21 0.00 0.00 175.17 174.91 2kpp s THR 76 N -2.10 0.19 -0.14 -1.27 -4.23 -1.26 -1.02 115.64 105.81 2kpp s THR 76 Ca 0.67 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2kpp s THR 76 Cb -0.17 -1.27 0.04 0.00 1.34 0.00 0.00 72.50 72.45 2kpp s THR 76 CO 0.25 -0.84 -0.02 -0.63 -0.54 0.00 0.00 174.62 172.84 2kpp s ILE 77 N -3.45 0.77 -0.17 2.99 -1.09 0.45 -4.99 121.20 115.71 2kpp s ILE 77 Ca 0.02 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 2kpp s ILE 77 Cb 0.04 -0.99 0.03 0.00 -1.58 0.00 0.00 42.46 39.97 2kpp s ILE 77 CO -0.08 0.13 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.95 2kpp s VAL 78 N 1.79 1.56 -0.51 2.92 1.01 -1.26 -0.42 120.40 125.49 2kpp s VAL 78 Ca 0.02 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.24 2kpp s VAL 78 Cb -0.14 -1.57 0.13 0.00 0.00 0.00 0.00 36.38 34.81 2kpp s VAL 78 CO -0.07 0.30 0.27 0.00 0.00 0.00 0.00 175.10 175.60 2kpp h LEU 80 N 6.47 0.98 -2.23 0.00 3.38 -1.94 -0.22 115.31 121.76 2kpp h LEU 80 Ca -0.04 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2kpp h LEU 80 Cb 0.89 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kpp h LEU 80 CO 0.63 0.92 0.26 -0.65 0.09 0.00 0.00 178.44 179.69 2kpp h PRO 81 N 1.02 0.00 -0.03 1.13 0.11 -1.96 0.13 132.00 132.40 2kpp h PRO 81 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2kpp h PRO 81 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2kpp h PRO 81 CO -0.01 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.50 2kpp n HIS 82 N -3.10 0.02 -3.07 0.65 8.25 -0.79 -4.99 115.22 112.19 2kpp n HIS 82 Ca -0.01 -0.03 -0.22 0.00 -0.26 0.00 0.00 57.72 57.20 2kpp n HIS 82 Cb 0.33 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.45 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 0.50 -3.93 -3.63 -0.41 5.02 0.46 -4.69 118.16 111.48 2kpp n LYS 83 Ca 0.06 0.72 -0.38 0.00 -2.02 0.00 0.00 58.31 56.68 2kpp n LYS 83 Cb 0.24 -5.49 -0.11 0.00 -0.02 0.00 0.00 35.03 29.64 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 -3.03 4.88 -0.16 -0.18 1.01 -0.50 -0.93 120.40 121.49 2kpp s VAL 84 Ca 0.30 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2kpp s VAL 84 Cb -0.14 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2kpp s VAL 84 CO 0.37 0.15 -0.21 0.12 0.00 0.00 0.00 175.10 175.52 2kpp s PHE 85 N 1.67 2.71 -0.07 5.22 2.19 0.55 -0.89 117.98 129.38 2kpp s PHE 85 Ca 0.06 -1.45 0.04 0.00 0.33 0.00 0.00 56.93 55.91 2kpp s PHE 85 Cb -0.16 -1.86 -0.00 0.00 -1.31 0.00 0.00 43.02 39.69 2kpp s PHE 85 CO 0.08 -0.68 -0.20 0.08 1.83 0.00 0.00 175.22 176.32 2kpp s VAL 86 N 0.99 1.72 0.02 3.12 1.01 0.44 -0.91 120.40 126.79 2kpp s VAL 86 Ca -0.03 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2kpp s VAL 86 Cb -0.15 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2kpp s VAL 86 CO -0.06 0.48 -0.11 -1.83 0.00 0.00 0.00 175.10 173.58 2kpp s GLU 87 N 0.20 0.79 -0.26 2.72 -1.05 -0.76 -0.41 118.70 119.93 2kpp s GLU 87 Ca -0.11 -0.56 -0.10 0.00 -0.15 0.00 0.00 54.97 54.05 2kpp s GLU 87 Cb -0.15 -0.75 -0.05 0.00 -0.44 0.00 0.00 34.13 32.74 2kpp s GLU 87 CO 0.05 0.19 0.16 0.42 0.95 0.00 0.00 175.26 177.03 2kpp s ILE 88 N -0.63 5.17 0.13 1.83 1.01 -0.19 -0.18 121.20 128.34 2kpp s ILE 88 Ca 0.01 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.87 2kpp s ILE 88 Cb -0.06 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2kpp s ILE 88 CO 0.00 0.29 -0.21 -1.59 0.00 0.00 0.00 174.94 173.43 2kpp s LYS 89 N 1.55 1.23 0.27 2.79 -2.85 -0.38 -0.89 119.74 121.46 2kpp s LYS 89 Ca 0.07 -1.29 -0.10 0.00 -1.00 0.00 0.00 55.97 53.65 2kpp s LYS 89 Cb -0.15 -1.45 -0.07 0.00 -2.06 0.00 0.00 37.83 34.10 2kpp s LYS 89 CO 0.08 0.32 0.60 0.45 0.10 0.00 0.00 175.35 176.90 2kpp s SER 90 N -2.23 6.61 0.22 0.03 0.15 -1.26 -0.33 113.70 116.89 2kpp s SER 90 Ca 0.11 0.97 0.05 0.00 0.70 0.00 0.00 55.95 57.77 2kpp s SER 90 Cb -0.08 -2.25 0.19 0.00 -1.71 0.00 0.00 66.02 62.17 2kpp s SER 90 CO 0.06 -0.14 1.52 0.71 1.20 0.00 0.00 173.24 176.58 2kpp h THR 91 N 1.83 1.42 -0.89 6.45 1.35 -1.13 -3.29 112.91 118.65 2kpp h THR 91 Ca -0.47 -2.17 -0.59 0.00 -0.55 0.00 0.00 66.41 62.63 2kpp h THR 91 Cb 1.17 2.14 -0.08 0.00 -1.73 0.00 0.00 68.15 69.65 2kpp h THR 91 CO 0.68 0.63 1.78 0.00 -0.25 0.00 0.00 175.52 178.36 2kpp s GLN 92 N -3.60 3.62 -1.36 4.72 -2.07 -1.26 -4.40 119.66 115.31 2kpp s GLN 92 Ca -0.03 -1.54 0.00 0.00 -1.82 0.00 0.00 55.36 51.97 2kpp s GLN 92 Cb 0.12 -5.42 0.00 0.00 -1.09 0.00 0.00 33.01 26.61 2kpp s GLN 92 CO 0.80 -2.50 0.00 1.63 -1.32 0.00 0.00 175.29 173.90 2kpp n LYS 93 N 8.56 -1.67 -2.07 9.60 4.76 -1.26 -4.84 118.16 131.24 2kpp n LYS 93 Ca 0.43 0.76 -0.28 0.00 -2.87 0.00 0.00 58.31 56.35 2kpp n LYS 93 Cb 0.48 -5.18 -0.06 0.00 -1.84 0.00 0.00 35.03 28.43 2kpp n LYS 93 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2kpp s ASP 94 N -2.12 5.10 -0.92 4.39 2.15 -1.24 -4.88 116.67 119.15 2kpp s ASP 94 Ca 0.00 -1.33 -0.24 0.00 0.43 0.00 0.00 52.55 51.40 2kpp s ASP 94 Cb 0.00 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2kpp s ASP 94 CO 0.00 -2.93 1.45 -0.44 -0.17 0.00 0.00 175.17 173.08 2kpp s SER 95 N 6.99 6.27 0.35 -0.34 0.01 -1.26 -4.73 113.70 120.99 2kpp s SER 95 Ca 0.69 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2kpp s SER 95 Cb -0.03 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2kpp s SER 95 CO 0.08 -1.72 0.54 -0.54 0.41 0.00 0.00 173.24 172.01 2kpp s LYS 96 N 5.40 3.38 -0.33 12.44 1.02 -1.26 -5.05 119.74 135.34 2kpp s LYS 96 Ca 0.45 -0.46 -0.29 0.00 0.02 0.00 0.00 55.97 55.69 2kpp s LYS 96 Cb -0.03 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 2kpp s LYS 96 CO -0.02 0.11 1.63 -0.51 -0.92 0.00 0.00 175.35 175.65 2kpp s ASP 97 N -4.07 6.15 -1.17 2.83 1.11 -1.26 -4.94 116.67 115.32 2kpp s ASP 97 Ca 0.41 1.23 -0.18 0.00 0.18 0.00 0.00 52.55 54.19 2kpp s ASP 97 Cb -0.10 -2.53 0.10 0.00 1.07 0.00 0.00 42.92 41.46 2kpp s ASP 97 CO 0.35 -1.52 1.51 -2.16 1.18 0.00 0.00 175.17 174.54 2kpp s PRO 98 N 5.20 3.88 -0.54 8.23 0.04 -1.26 -4.96 135.00 145.59 2kpp s PRO 98 Ca 0.72 -1.94 -0.28 0.00 0.04 0.00 0.00 61.00 59.55 2kpp s PRO 98 Cb -0.20 -5.29 0.01 0.00 0.04 0.00 0.00 34.50 29.05 2kpp s PRO 98 CO 0.32 -2.05 1.50 0.34 0.04 0.00 0.00 177.00 177.15 2kpp s ASP 99 N 3.94 6.02 0.00 6.66 -1.08 -1.26 -4.86 116.67 126.09 2kpp s ASP 99 Ca 0.46 0.41 0.20 0.00 -0.52 0.00 0.00 52.55 53.10 2kpp s ASP 99 Cb 0.00 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.45 2kpp s ASP 99 CO -0.00 -1.77 1.44 0.41 0.52 0.00 0.00 175.17 175.77 2kpp n THR 100 N 6.96 0.54 -2.23 1.71 -1.04 -1.26 -4.75 114.28 114.21 2kpp n THR 100 Ca 0.14 -0.64 -0.33 0.00 -2.04 0.00 0.00 64.05 61.19 2kpp n THR 100 Cb 0.49 0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 69.50 2kpp n THR 100 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2kpp s ASP 101 N -1.27 5.60 0.42 8.00 1.01 -1.26 -4.91 116.67 124.26 2kpp s ASP 101 Ca 0.36 -1.83 0.06 0.00 0.71 0.00 0.00 52.55 51.85 2kpp s ASP 101 Cb 0.20 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.60 2kpp s ASP 101 CO 0.27 -2.46 0.51 0.00 0.21 0.00 0.00 175.17 173.69 2kpp n LEU 102 N 12.47 0.00 -4.80 1.23 -0.00 -1.26 -5.03 117.00 119.61 2kpp n LEU 102 Ca 0.45 -1.94 -0.38 0.00 -0.00 0.00 0.00 56.01 54.14 2kpp n LEU 102 Cb 0.47 -0.23 -0.06 0.00 -0.00 0.00 0.00 43.42 43.60 2kpp n LEU 102 CO 0.70 -0.61 0.15 -0.63 -0.00 0.00 0.00 177.39 177.00 2kpp s ILE 103 N -1.78 5.02 0.92 1.47 -1.09 -0.26 -5.02 121.20 120.46 2kpp s ILE 103 Ca 0.39 0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 59.62 2kpp s ILE 103 Cb -0.03 -3.77 0.09 0.00 -1.58 0.00 0.00 42.46 37.16 2kpp s ILE 103 CO 0.24 0.51 0.79 1.33 -1.23 0.00 0.00 174.94 176.58 2kpp n VAL 104 N 2.32 0.18 -1.64 2.92 0.24 -1.26 -4.86 118.33 116.24 2kpp n VAL 104 Ca -0.11 -0.11 -0.50 0.00 -2.04 0.00 0.00 64.34 61.58 2kpp n VAL 104 Cb 0.52 -0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 32.00 2kpp n VAL 104 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2kpp n PRO 105 N -2.92 1.80 -2.76 7.34 -0.02 -1.26 -4.94 135.00 132.23 2kpp n PRO 105 Ca 0.10 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 2kpp n PRO 105 Cb 0.53 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2kpp n PRO 105 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2kpp s ASN 106 N 4.97 7.28 0.24 2.55 0.02 -1.26 -5.02 114.94 123.72 2kpp s ASN 106 Ca 0.98 1.56 -0.30 0.00 -1.02 0.00 0.00 52.86 54.07 2kpp s ASN 106 Cb -0.75 -2.54 -0.09 0.00 0.02 0.00 0.00 41.25 37.88 2kpp s ASN 106 CO 0.52 -0.27 0.95 -0.76 0.02 0.00 0.00 177.10 177.56 2kpp s LEU 107 N 1.16 4.64 -0.90 0.60 1.02 -1.26 -4.99 118.68 118.95 2kpp s LEU 107 Ca 0.49 1.97 -0.25 0.00 0.02 0.00 0.00 54.13 56.36 2kpp s LEU 107 Cb -0.20 -3.62 0.04 0.00 0.02 0.00 0.00 46.19 42.43 2kpp s LEU 107 CO 0.25 0.14 1.36 -1.83 0.02 0.00 0.00 176.35 176.29 2kpp s GLU 108 N -1.22 3.42 -0.95 1.70 1.03 -1.26 -4.92 118.70 116.49 2kpp s GLU 108 Ca 0.41 -0.77 -0.21 0.00 0.03 0.00 0.00 54.97 54.44 2kpp s GLU 108 Cb -0.26 -4.85 -0.11 0.00 -0.80 0.00 0.00 34.13 28.11 2kpp s GLU 108 CO 0.32 -2.17 1.97 -2.39 -1.33 0.00 0.00 175.26 171.67 2kpp n HIS 109 N 9.01 2.35 0.00 4.83 1.44 -1.26 -2.52 115.22 129.07 2kpp n HIS 109 Ca 0.20 -2.01 0.00 0.00 -2.01 0.00 0.00 57.72 53.90 2kpp n HIS 109 Cb 0.50 -1.99 0.00 0.00 0.12 0.00 0.00 29.99 28.62 2kpp n HIS 109 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kpp n HIS 110 N 8.04 0.00 -1.81 -1.40 -0.00 -1.26 -5.12 115.22 113.67 2kpp n HIS 110 Ca 0.49 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.84 2kpp n HIS 110 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.37 2kpp n HIS 110 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kpp s HIS 111 N 0.00 1.39 0.00 1.57 -0.00 -1.05 -3.18 115.29 114.02 2kpp s HIS 111 Ca 0.00 1.15 0.00 0.00 -0.00 0.00 0.00 55.06 56.21 2kpp s HIS 111 Cb 0.00 -3.85 0.00 0.00 -0.00 0.00 0.00 32.58 28.73 2kpp s HIS 111 CO 0.00 -2.43 0.00 1.58 -0.00 0.00 0.00 174.74 173.89 2kpp n HIS 112 N 14.20 0.00 -3.63 0.38 -0.00 -1.26 -5.14 115.22 119.77 2kpp n HIS 112 Ca 0.28 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.43 2kpp n HIS 112 Cb 0.53 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.39 2kpp n HIS 112 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kpp s HIS 113 N 0.00 -0.13 -1.81 1.57 -3.43 -1.19 -5.34 115.29 104.96 2kpp s HIS 113 Ca 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 2kpp s HIS 113 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 2kpp s HIS 113 CO 0.00 -0.43 0.45 1.58 -2.00 0.00 0.00 174.74 174.35