#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 3.55 -1.04 0.03 -0.14 -1.26 -4.96 119.74 115.92 2kpp s LYS 2 Ca 0.00 -1.54 -0.18 0.00 -1.36 0.00 0.00 55.97 52.89 2kpp s LYS 2 Cb 0.00 -4.95 0.13 0.00 -1.68 0.00 0.00 37.83 31.33 2kpp s LYS 2 CO 0.00 -1.87 1.30 -0.80 -0.76 0.00 0.00 175.35 173.22 2kpp s ASN 3 N 3.92 6.74 0.17 2.83 -0.87 -1.26 -5.01 114.94 121.46 2kpp s ASN 3 Ca 0.35 -2.24 -0.30 0.00 -1.57 0.00 0.00 52.86 49.09 2kpp s ASN 3 Cb -0.05 -2.44 -0.07 0.00 -0.02 0.00 0.00 41.25 38.67 2kpp s ASN 3 CO -0.08 -1.05 1.12 0.42 -2.57 0.00 0.00 177.10 174.95 2kpp s THR 4 N 2.82 3.83 -0.06 1.60 -4.23 -1.26 -4.96 115.64 113.38 2kpp s THR 4 Ca 0.39 1.55 0.13 0.00 -1.18 0.00 0.00 61.69 62.58 2kpp s THR 4 Cb -0.03 -3.99 -0.23 0.00 1.34 0.00 0.00 72.50 69.59 2kpp s THR 4 CO -0.06 0.25 0.61 0.61 -0.54 0.00 0.00 174.62 175.49 2kpp n GLY 5 N 2.16 -0.99 3.55 3.99 0.00 -1.26 -4.78 105.19 107.86 2kpp n GLY 5 Ca 0.03 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2kpp n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpp s ASP 6 N -6.05 5.10 -0.57 1.61 1.01 -1.26 -4.94 116.67 111.57 2kpp s ASP 6 Ca -0.05 0.05 -0.21 0.00 0.71 0.00 0.00 52.55 53.05 2kpp s ASP 6 Cb 0.08 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.54 2kpp s ASP 6 CO 0.82 -2.60 0.79 -1.61 0.21 0.00 0.00 175.17 172.78 2kpp s GLU 7 N 7.21 3.14 0.06 8.23 2.02 -1.26 -4.68 118.70 133.41 2kpp s GLU 7 Ca 0.71 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.89 2kpp s GLU 7 Cb -0.11 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.93 2kpp s GLU 7 CO 0.13 -1.49 -0.10 0.14 0.02 0.00 0.00 175.26 173.96 2kpp s VAL 8 N 3.25 0.78 -0.02 2.63 -7.23 -1.26 -1.11 120.40 117.45 2kpp s VAL 8 Ca 0.19 -1.23 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2kpp s VAL 8 Cb -0.18 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.87 2kpp s VAL 8 CO 0.12 -0.35 -0.24 0.68 -0.31 0.00 0.00 175.10 174.99 2kpp s VAL 9 N -1.49 1.88 -0.39 1.32 -7.23 0.46 -2.06 120.40 112.88 2kpp s VAL 9 Ca -0.05 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.92 2kpp s VAL 9 Cb -0.09 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.30 2kpp s VAL 9 CO 0.01 0.52 0.45 0.00 -0.31 0.00 0.00 175.10 175.78 2kpp s ALA 10 N -0.57 3.44 -0.37 1.32 0.00 0.47 -1.29 121.76 124.77 2kpp s ALA 10 Ca 0.09 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 2kpp s ALA 10 Cb -0.09 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 2kpp s ALA 10 CO -0.01 -1.44 0.42 0.42 0.00 0.00 0.00 175.76 175.15 2kpp s ILE 11 N 2.22 5.11 -0.23 0.00 -1.09 0.96 -0.95 121.20 127.22 2kpp s ILE 11 Ca 0.14 -0.00 -0.15 0.00 -2.23 0.00 0.00 60.65 58.41 2kpp s ILE 11 Cb -0.16 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2kpp s ILE 11 CO 0.14 -0.22 0.35 -0.63 -1.23 0.00 0.00 174.94 173.35 2kpp s ILE 12 N 2.15 5.21 0.06 2.92 1.09 0.50 -1.35 121.20 131.79 2kpp s ILE 12 Ca 0.13 0.59 0.07 0.00 -1.10 0.00 0.00 60.65 60.34 2kpp s ILE 12 Cb -0.16 -3.68 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 2kpp s ILE 12 CO 0.13 0.24 -0.20 -0.94 -0.10 0.00 0.00 174.94 174.06 2kpp s SER 13 N 1.23 2.37 -0.05 3.58 1.04 0.24 -0.94 113.70 121.17 2kpp s SER 13 Ca 0.16 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2kpp s SER 13 Cb -0.15 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.82 2kpp s SER 13 CO 0.08 0.11 -0.10 -1.58 0.98 0.00 0.00 173.24 172.73 2kpp s GLN 14 N -1.40 1.32 -1.09 4.02 0.74 0.61 -0.70 119.66 123.16 2kpp s GLN 14 Ca 0.06 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.16 2kpp s GLN 14 Cb -0.09 -1.15 0.00 0.00 1.10 0.00 0.00 33.01 32.87 2kpp s GLN 14 CO 0.02 0.02 0.00 0.09 -0.55 0.00 0.00 175.29 174.88 2kpp n ASN 15 N 3.75 -5.02 0.00 6.67 3.02 -0.15 -1.68 115.26 121.85 2kpp n ASN 15 Ca -0.23 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2kpp n ASN 15 Cb 0.52 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 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 0.20 2.96 3.87 7.41 0.00 -1.26 -5.09 105.19 113.28 2kpp n GLY 16 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.58 3.55 -0.10 1.61 -2.85 -0.67 -5.01 119.74 115.68 2kpp s LYS 17 Ca 0.00 -0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 54.65 2kpp s LYS 17 Cb 0.00 -3.18 -0.03 0.00 -2.06 0.00 0.00 37.83 32.56 2kpp s LYS 17 CO 0.00 0.74 1.28 0.08 0.10 0.00 0.00 175.35 177.55 2kpp s VAL 18 N -1.08 4.16 -0.04 1.79 1.01 -1.26 -0.28 120.40 124.69 2kpp s VAL 18 Ca 0.19 1.45 0.10 0.00 0.00 0.00 0.00 61.98 63.72 2kpp s VAL 18 Cb -0.13 -3.94 -0.15 0.00 0.00 0.00 0.00 36.38 32.16 2kpp s VAL 18 CO 0.08 -0.06 0.23 2.30 0.00 0.00 0.00 175.10 177.64 2kpp n ILE 19 N 5.00 0.00 -3.61 2.22 -5.35 -0.12 -4.94 119.36 112.57 2kpp n ILE 19 Ca 0.13 -0.23 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 2kpp n ILE 19 Cb 0.45 0.32 -0.06 0.00 -1.74 0.00 0.00 39.64 38.61 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 -2.63 0.57 -0.10 6.28 6.06 -1.11 -5.05 118.95 122.96 2kpp s ARG 20 Ca -0.03 0.41 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 2kpp s ARG 20 Cb 0.06 0.27 0.02 0.00 0.06 0.00 0.00 34.95 35.37 2kpp s ARG 20 CO 0.41 -0.12 -0.09 -1.21 -2.50 0.00 0.00 175.30 171.78 2kpp s GLU 21 N -0.37 1.64 -0.24 5.12 2.02 -1.26 -0.37 118.70 125.23 2kpp s GLU 21 Ca 0.00 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.68 2kpp s GLU 21 Cb -0.03 -1.58 0.04 0.00 0.10 0.00 0.00 34.13 32.66 2kpp s GLU 21 CO -0.02 -0.19 -0.11 0.42 0.02 0.00 0.00 175.26 175.38 2kpp s ILE 22 N 1.41 2.39 0.01 -1.63 1.09 -0.13 -4.98 121.20 119.36 2kpp s ILE 22 Ca -0.00 -1.28 -0.30 0.00 -1.10 0.00 0.00 60.65 57.96 2kpp s ILE 22 Cb -0.13 -2.26 -0.06 0.00 -1.06 0.00 0.00 42.46 38.95 2kpp s ILE 22 CO -0.05 0.17 1.45 -2.16 -0.10 0.00 0.00 174.94 174.24 2kpp s PRO 23 N 1.22 4.27 -0.21 2.79 0.04 -1.26 -0.39 135.00 141.45 2kpp s PRO 23 Ca -0.03 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 2kpp s PRO 23 Cb -0.17 -3.59 -0.19 0.00 0.04 0.00 0.00 34.50 30.59 2kpp s PRO 23 CO -0.07 -0.61 0.12 1.28 0.04 0.00 0.00 177.00 177.77 2kpp n LEU 24 N 5.47 2.07 -4.67 -3.56 4.77 -0.88 -4.58 117.00 115.61 2kpp n LEU 24 Ca 0.14 0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 56.04 2kpp n LEU 24 Cb 0.43 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 2kpp n LEU 24 CO 0.59 0.46 1.56 0.41 -1.33 0.00 0.00 177.39 179.08 2kpp n THR 25 N -4.18 0.63 -0.99 -5.08 -1.04 -1.21 -0.96 114.28 101.46 2kpp n THR 25 Ca -0.37 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2kpp n THR 25 Cb 0.80 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 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 4.44 0.67 3.57 3.41 0.00 -1.26 -4.95 105.19 111.06 2kpp n GLY 26 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.73 1.92 0.05 1.61 5.04 -0.13 -4.94 115.29 116.12 2kpp s HIS 27 Ca 0.00 0.42 -0.30 0.00 -1.54 0.00 0.00 55.06 53.63 2kpp s HIS 27 Cb 0.00 -4.10 -0.08 0.00 0.04 0.00 0.00 32.58 28.44 2kpp s HIS 27 CO 0.00 -1.63 1.70 -1.59 -2.34 0.00 0.00 174.74 170.88 2kpp s LYS 28 N 6.65 4.18 0.12 2.88 -2.85 -1.26 -3.99 119.74 125.47 2kpp s LYS 28 Ca 0.67 2.37 0.00 0.00 -1.00 0.00 0.00 55.97 58.01 2kpp s LYS 28 Cb -0.04 -3.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.01 2kpp s LYS 28 CO 0.02 -0.79 0.00 0.41 0.10 0.00 0.00 175.35 175.10 2kpp n GLY 29 N 4.10 -1.81 3.24 0.59 0.00 -1.26 -4.94 105.19 105.11 2kpp n GLY 29 Ca 0.17 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 3.31 -0.16 1.61 3.84 -1.26 -0.58 114.94 117.70 2kpp s ASN 30 Ca 0.00 -0.52 -0.01 0.00 0.21 0.00 0.00 52.86 52.54 2kpp s ASN 30 Cb 0.00 -1.46 0.04 0.00 -0.55 0.00 0.00 41.25 39.28 2kpp s ASN 30 CO 0.00 0.14 -0.03 -0.70 -2.79 0.00 0.00 177.10 173.72 2kpp s GLU 31 N 0.45 1.23 0.01 0.43 2.12 -0.06 -4.97 118.70 117.92 2kpp s GLU 31 Ca -0.15 -0.46 0.03 0.00 0.36 0.00 0.00 54.97 54.76 2kpp s GLU 31 Cb -0.17 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 2kpp s GLU 31 CO 0.06 -0.46 -0.04 -0.65 -0.54 0.00 0.00 175.26 173.63 2kpp s GLN 32 N 1.69 2.61 -0.07 4.30 -0.21 -1.26 -0.39 119.66 126.33 2kpp s GLN 32 Ca 0.01 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 54.52 2kpp s GLN 32 Cb -0.15 -2.55 0.03 0.00 1.00 0.00 0.00 33.01 31.34 2kpp s GLN 32 CO -0.07 0.60 0.38 -0.59 -2.12 0.00 0.00 175.29 173.49 2kpp s PHE 33 N -1.06 -0.33 -0.34 0.91 -0.71 -0.10 -5.01 117.98 111.34 2kpp s PHE 33 Ca 0.19 0.69 -0.10 0.00 -1.04 0.00 0.00 56.93 56.66 2kpp s PHE 33 Cb -0.11 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.85 2kpp s PHE 33 CO 0.10 -0.34 0.18 0.99 -1.34 0.00 0.00 175.22 174.81 2kpp s THR 34 N -0.67 4.67 -0.47 -4.49 2.01 -1.26 -0.48 115.64 114.95 2kpp s THR 34 Ca -0.08 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 2kpp s THR 34 Cb -0.04 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 69.04 2kpp s THR 34 CO 0.03 -0.05 0.80 -0.63 -0.69 0.00 0.00 174.62 174.08 2kpp s ILE 35 N 1.60 4.62 -0.57 1.82 1.01 0.13 -4.91 121.20 124.90 2kpp s ILE 35 Ca 0.04 0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 2kpp s ILE 35 Cb -0.18 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 37.96 2kpp s ILE 35 CO 0.07 -0.79 1.21 -0.54 0.00 0.00 0.00 174.94 174.89 2kpp s LYS 36 N 3.37 3.51 0.12 2.79 1.02 -1.26 0.34 119.74 129.63 2kpp s LYS 36 Ca 0.29 0.30 -0.02 0.00 0.02 0.00 0.00 55.97 56.56 2kpp s LYS 36 Cb -0.13 -4.02 0.03 0.00 -0.52 0.00 0.00 37.83 33.20 2kpp s LYS 36 CO 0.22 -1.69 0.12 0.41 -0.92 0.00 0.00 175.35 173.49 2kpp n GLY 37 N 5.07 -2.02 3.55 -3.33 0.00 -0.40 -4.88 105.19 103.18 2kpp n GLY 37 Ca 0.09 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.28 2.45 2.15 1.61 1.02 -1.26 -4.58 119.74 117.85 2kpp s LYS 38 Ca 0.08 0.80 0.00 0.00 0.02 0.00 0.00 55.97 56.86 2kpp s LYS 38 Cb -0.01 -4.48 0.00 0.00 -0.52 0.00 0.00 37.83 32.82 2kpp s LYS 38 CO 0.06 -2.95 0.00 0.41 -0.92 0.00 0.00 175.35 171.94 2kpp n GLY 39 N 5.86 1.25 0.41 -3.33 0.00 -1.26 -4.06 105.19 104.06 2kpp n GLY 39 Ca 0.26 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 3.87 3.44 -2.67 4.61 0.00 -1.26 -4.77 120.51 123.73 2kpp n ALA 40 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2kpp n ALA 40 Cb 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.50 3.96 0.66 0.00 -0.21 -1.26 -4.82 119.66 115.50 2kpp s GLN 41 Ca 0.20 -2.03 -0.08 0.00 0.02 0.00 0.00 55.36 53.47 2kpp s GLN 41 Cb 0.18 -5.39 0.03 0.00 1.00 0.00 0.00 33.01 28.83 2kpp s GLN 41 CO 0.56 -2.13 1.00 1.52 -2.12 0.00 0.00 175.29 174.12 2kpp s TYR 42 N 3.66 3.17 -0.19 0.91 1.13 -1.26 -1.28 117.35 123.49 2kpp s TYR 42 Ca 0.50 0.70 -0.04 0.00 -1.41 0.00 0.00 57.07 56.82 2kpp s TYR 42 Cb 0.02 -2.98 0.06 0.00 -1.10 0.00 0.00 41.96 37.95 2kpp s TYR 42 CO 0.04 -1.12 0.05 -0.80 -2.51 0.00 0.00 175.55 171.21 2kpp s ASN 43 N -4.39 2.74 -0.57 -0.18 -0.87 0.15 -2.47 114.94 109.36 2kpp s ASN 43 Ca 0.57 -0.76 -0.21 0.00 -1.57 0.00 0.00 52.86 50.88 2kpp s ASN 43 Cb -0.11 -0.48 0.06 0.00 -0.02 0.00 0.00 41.25 40.70 2kpp s ASN 43 CO 0.47 -0.32 0.81 -0.22 -2.57 0.00 0.00 177.10 175.26 2kpp s LEU 44 N 1.95 4.64 0.15 0.60 2.96 0.11 0.21 118.68 129.30 2kpp s LEU 44 Ca 0.00 -0.84 -0.15 0.00 -0.22 0.00 0.00 54.13 52.92 2kpp s LEU 44 Cb -0.17 -2.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.92 2kpp s LEU 44 CO -0.09 -1.15 0.56 -0.04 -1.32 0.00 0.00 176.35 174.32 2kpp s MET 45 N 3.36 4.01 -0.06 1.98 -1.94 0.36 0.04 119.30 127.05 2kpp s MET 45 Ca 0.21 0.53 0.01 0.00 -1.71 0.00 0.00 55.69 54.72 2kpp s MET 45 Cb -0.17 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 33.74 2kpp s MET 45 CO 0.13 0.48 -0.05 -2.00 -0.01 0.00 0.00 175.02 173.57 2kpp s GLU 46 N -1.90 1.03 -0.27 2.03 2.12 -0.48 -0.93 118.70 120.30 2kpp s GLU 46 Ca 0.37 -0.14 -0.09 0.00 0.36 0.00 0.00 54.97 55.48 2kpp s GLU 46 Cb -0.15 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.15 2kpp s GLU 46 CO 0.19 -0.13 0.12 0.08 -0.54 0.00 0.00 175.26 174.98 2kpp s VAL 47 N 1.17 4.69 -0.52 3.70 1.01 0.48 -1.99 120.40 128.95 2kpp s VAL 47 Ca -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2kpp s VAL 47 Cb -0.14 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.14 2kpp s VAL 47 CO -0.01 0.27 0.38 -0.62 0.00 0.00 0.00 175.10 175.12 2kpp s ASP 48 N 1.66 5.67 1.17 3.32 2.15 0.10 -0.88 116.67 129.86 2kpp s ASP 48 Ca 0.06 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 50.91 2kpp s ASP 48 Cb -0.16 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2kpp s ASP 48 CO 0.06 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 2kpp n GLY 49 N 4.58 1.10 0.62 2.66 0.00 0.25 -2.24 105.19 112.15 2kpp n GLY 49 Ca -0.03 0.33 0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 2.72 -4.16 1.61 1.02 -1.26 -4.10 120.64 116.48 2kpp n GLU 50 Ca 0.00 -2.40 -0.17 0.00 -0.02 0.00 0.00 57.16 54.56 2kpp n GLU 50 Cb 0.00 -1.52 -0.12 0.00 -0.02 0.00 0.00 31.44 29.78 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 -2.03 0.78 0.01 3.49 1.70 -0.95 -4.61 118.95 117.35 2kpp s ARG 51 Ca 0.30 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 2kpp s ARG 51 Cb 0.22 -0.74 -0.01 0.00 -0.57 0.00 0.00 34.95 33.86 2kpp s ARG 51 CO 0.10 0.16 -0.02 -1.50 -1.08 0.00 0.00 175.30 172.96 2kpp s ILE 52 N -1.34 0.09 0.26 4.99 2.07 -0.13 0.01 121.20 127.14 2kpp s ILE 52 Ca -0.03 -0.49 -0.21 0.00 -1.41 0.00 0.00 60.65 58.52 2kpp s ILE 52 Cb -0.10 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.35 2kpp s ILE 52 CO 0.02 -0.25 0.69 0.00 -1.91 0.00 0.00 174.94 173.48 2kpp s ARG 53 N -0.77 1.70 -0.10 3.50 1.04 -0.84 -1.03 118.95 122.45 2kpp s ARG 53 Ca -0.08 -0.94 -0.30 0.00 -1.04 0.00 0.00 55.73 53.38 2kpp s ARG 53 Cb -0.05 0.60 -0.03 0.00 -2.04 0.00 0.00 34.95 33.43 2kpp s ARG 53 CO -0.00 -0.77 1.30 0.42 -0.04 0.00 0.00 175.30 176.20 2kpp s ILE 54 N -3.90 4.14 -0.15 4.99 1.01 -1.26 -1.39 121.20 124.64 2kpp s ILE 54 Ca 0.10 1.42 -0.25 0.00 0.00 0.00 0.00 60.65 61.93 2kpp s ILE 54 Cb -0.05 -3.92 -0.22 0.00 0.01 0.00 0.00 42.46 38.28 2kpp s ILE 54 CO 0.04 -0.07 0.58 0.50 0.00 0.00 0.00 174.94 175.99 2kpp h LYS 55 N 8.06 0.00 -2.50 2.79 3.64 -0.70 -3.39 116.57 124.47 2kpp h LYS 55 Ca -0.31 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 2kpp h LYS 55 Cb 1.14 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.72 2kpp h LYS 55 CO 0.93 0.90 -0.15 -2.00 -2.27 0.00 0.00 179.45 176.86 2kpp s GLU 56 N -2.19 0.56 0.28 1.90 2.12 -1.09 -5.02 118.70 115.25 2kpp s GLU 56 Ca -0.19 0.77 -0.08 0.00 0.36 0.00 0.00 54.97 55.82 2kpp s GLU 56 Cb -0.01 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.62 2kpp s GLU 56 CO 0.60 -0.10 0.52 -0.40 -0.54 0.00 0.00 175.26 175.35 2kpp n ASP 57 N 3.27 -1.50 -3.81 -1.70 5.75 -1.26 0.09 116.55 117.39 2kpp n ASP 57 Ca -0.16 -2.22 -0.32 0.00 -0.01 0.00 0.00 54.79 52.09 2kpp n ASP 57 Cb 0.56 2.55 -0.08 0.00 -1.03 0.00 0.00 41.12 43.13 2kpp n ASP 57 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kpp n ASN 58 N -1.48 3.99 -4.02 -1.12 2.85 -1.03 -4.98 115.26 109.47 2kpp n ASN 58 Ca -0.05 -3.29 -0.13 0.00 -0.11 0.00 0.00 54.58 51.00 2kpp n ASN 58 Cb 0.43 -0.87 -0.12 0.00 1.24 0.00 0.00 39.78 40.46 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2kpp s SER 59 N -1.48 0.67 0.30 1.20 0.15 -1.26 -4.74 113.70 108.53 2kpp s SER 59 Ca 0.31 -0.45 0.26 0.00 0.70 0.00 0.00 55.95 56.77 2kpp s SER 59 Cb 0.03 0.03 0.93 0.00 -1.71 0.00 0.00 66.02 65.29 2kpp s SER 59 CO -0.07 -0.18 1.76 1.55 1.20 0.00 0.00 173.24 177.50 2kpp h PRO 60 N 4.81 0.00 0.00 5.44 0.13 -2.00 -3.32 132.00 137.06 2kpp h PRO 60 Ca -0.33 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.50 2kpp h PRO 60 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2kpp h PRO 60 CO 0.42 0.00 -2.07 -0.25 -0.23 0.00 0.00 178.00 175.88 2kpp n ASP 61 N -2.44 2.14 -3.61 1.44 8.00 -1.26 -5.05 116.55 115.78 2kpp n ASP 61 Ca 0.03 0.02 -0.25 0.00 0.71 0.00 0.00 54.79 55.31 2kpp n ASP 61 Cb 0.33 -0.40 0.04 0.00 -0.02 0.00 0.00 41.12 41.08 2kpp n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kpp n GLN 62 N -3.35 -2.61 -0.18 -1.24 6.02 -1.25 -4.79 117.38 109.98 2kpp n GLN 62 Ca -0.35 0.59 -0.01 0.00 -0.01 0.00 0.00 57.00 57.22 2kpp n GLN 62 Cb 0.82 -4.82 0.09 0.00 1.02 0.00 0.00 30.24 27.35 2kpp n GLN 62 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2kpp h VAL 63 N -1.71 0.73 -0.13 5.09 2.07 -1.95 -0.20 116.25 120.15 2kpp h VAL 63 Ca -0.64 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kpp h VAL 63 Cb 1.35 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2kpp h VAL 63 CO 0.50 0.06 0.09 1.23 0.02 0.00 0.00 177.57 179.47 2kpp h GLY 64 N 0.31 0.19 1.25 2.17 0.00 -1.90 0.43 103.07 105.52 2kpp h GLY 64 Ca 0.28 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 2kpp h GLY 64 CO -0.33 0.07 -0.01 -2.08 0.00 0.00 0.00 176.54 174.19 2kpp h VAL 65 N 0.18 1.26 0.00 4.60 2.07 -1.25 -2.62 116.25 120.48 2kpp h VAL 65 Ca 0.05 -1.09 -0.15 0.00 0.82 0.00 0.00 66.70 66.33 2kpp h VAL 65 Cb -0.02 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2kpp h VAL 65 CO -0.01 0.39 -0.71 0.11 0.02 0.00 0.00 177.57 177.37 2kpp h LYS 66 N 0.84 0.00 -0.21 1.57 6.56 -0.88 -3.34 116.57 121.11 2kpp h LYS 66 Ca 0.15 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2kpp h LYS 66 Cb 0.51 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2kpp h LYS 66 CO 0.03 0.71 0.10 0.52 -2.06 0.00 0.00 179.45 178.74 2kpp h MET 67 N 0.00 0.31 0.00 3.15 2.86 0.15 -3.50 114.93 117.90 2kpp h MET 67 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2kpp h MET 67 Cb 1.36 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2kpp h MET 67 CO 0.09 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.81 2kpp n GLY 68 N -0.79 -1.80 3.63 8.32 0.00 -1.04 -4.90 105.19 108.62 2kpp n GLY 68 Ca -0.04 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 2.73 0.04 1.61 0.52 -1.26 -4.52 118.94 118.06 2kpp s TRP 69 Ca 0.00 0.90 -0.10 0.00 0.02 0.00 0.00 56.10 56.92 2kpp s TRP 69 Cb 0.00 -3.88 -0.06 0.00 -1.15 0.00 0.00 33.47 28.38 2kpp s TRP 69 CO 0.00 -1.62 0.37 0.15 0.02 0.00 0.00 176.95 175.87 2kpp s LYS 70 N 4.10 3.75 0.00 4.98 -0.14 -0.20 -4.86 119.74 127.38 2kpp s LYS 70 Ca 0.55 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 55.34 2kpp s LYS 70 Cb -0.16 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 2kpp s LYS 70 CO 0.22 0.62 0.07 -1.13 -0.76 0.00 0.00 175.35 174.37 2kpp n SER 71 N 1.21 0.00 -4.18 2.83 3.41 -1.26 -0.96 113.62 114.66 2kpp n SER 71 Ca -0.10 -0.64 -0.16 0.00 -0.26 0.00 0.00 58.87 57.71 2kpp n SER 71 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.86 -0.50 4.33 1.02 -1.26 -4.89 119.74 119.30 2kpp s LYS 72 Ca 0.00 -1.09 -0.26 0.00 0.02 0.00 0.00 55.97 54.64 2kpp s LYS 72 Cb 0.00 -0.70 -0.06 0.00 -0.52 0.00 0.00 37.83 36.55 2kpp s LYS 72 CO 0.00 0.13 2.35 0.00 -0.92 0.00 0.00 175.35 176.92 2kpp s ALA 73 N -1.93 1.68 0.00 5.17 0.00 -1.26 -1.48 121.76 123.94 2kpp s ALA 73 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2kpp s ALA 73 Cb -0.06 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2kpp s ALA 73 CO 0.01 -4.41 0.00 0.41 0.00 0.00 0.00 175.76 171.78 2kpp n GLY 74 N 5.97 1.14 3.70 0.00 0.00 -0.16 -4.95 105.19 110.89 2kpp n GLY 74 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2kpp n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpp s ASP 75 N 0.00 6.77 0.04 1.61 1.01 -0.55 -4.87 116.67 120.67 2kpp s ASP 75 Ca 0.00 2.32 0.02 0.00 0.71 0.00 0.00 52.55 55.60 2kpp s ASP 75 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2kpp s ASP 75 CO 0.00 -0.74 -0.07 0.42 0.21 0.00 0.00 175.17 174.99 2kpp s THR 76 N 1.83 0.52 -0.31 -1.27 -4.23 -1.26 -0.62 115.64 110.30 2kpp s THR 76 Ca 0.67 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 2kpp s THR 76 Cb -0.36 -0.57 0.04 0.00 1.34 0.00 0.00 72.50 72.95 2kpp s THR 76 CO 0.29 -0.32 0.02 -0.63 -0.54 0.00 0.00 174.62 173.45 2kpp s ILE 77 N -1.21 3.21 -0.32 2.99 -1.09 0.88 -4.97 121.20 120.69 2kpp s ILE 77 Ca -0.08 -1.26 -0.13 0.00 -2.23 0.00 0.00 60.65 56.94 2kpp s ILE 77 Cb -0.09 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 2kpp s ILE 77 CO 0.00 -0.09 0.28 -0.69 -1.23 0.00 0.00 174.94 173.21 2kpp s VAL 78 N 1.31 5.25 -0.68 2.92 1.01 -1.26 -1.60 120.40 127.33 2kpp s VAL 78 Ca -0.04 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2kpp s VAL 78 Cb -0.19 -3.70 0.23 0.00 0.00 0.00 0.00 36.38 32.71 2kpp s VAL 78 CO -0.00 0.04 0.70 0.00 0.00 0.00 0.00 175.10 175.84 2kpp h LEU 80 N 4.63 -0.30 -0.85 0.00 3.38 -1.95 0.35 115.31 120.58 2kpp h LEU 80 Ca 0.18 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2kpp h LEU 80 Cb 0.69 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2kpp h LEU 80 CO 0.82 -0.11 0.00 -2.65 0.09 0.00 0.00 178.44 176.60 2kpp n PRO 81 N -5.26 0.08 -0.00 1.13 -0.02 -1.26 -1.69 135.00 127.98 2kpp n PRO 81 Ca -0.00 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.07 2kpp n PRO 81 Cb 0.17 -1.77 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.95 0.00 -2.28 6.00 8.25 -0.42 -4.94 115.22 119.89 2kpp n HIS 82 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.28 2kpp n HIS 82 Cb 0.02 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.17 -1.33 -4.46 -0.41 5.02 0.11 -4.37 118.16 111.54 2kpp n LYS 83 Ca 0.00 0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 56.78 2kpp n LYS 83 Cb 0.06 -5.25 -0.11 0.00 -0.02 0.00 0.00 35.03 29.71 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 -2.83 3.95 -0.04 -0.18 1.01 -0.98 -0.98 120.40 120.36 2kpp s VAL 84 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2kpp s VAL 84 Cb 0.00 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2kpp s VAL 84 CO 0.00 0.56 -0.02 0.12 0.00 0.00 0.00 175.10 175.75 2kpp s PHE 85 N -0.33 0.58 -0.09 5.22 5.36 0.13 -0.96 117.98 127.89 2kpp s PHE 85 Ca 0.06 -0.12 0.04 0.00 -0.96 0.00 0.00 56.93 55.94 2kpp s PHE 85 Cb -0.12 -0.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.97 2kpp s PHE 85 CO 0.02 -0.18 -0.21 0.08 -1.46 0.00 0.00 175.22 173.47 2kpp s VAL 86 N 1.07 1.83 0.07 3.12 1.01 -0.63 -0.59 120.40 126.28 2kpp s VAL 86 Ca -0.09 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.07 2kpp s VAL 86 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2kpp s VAL 86 CO -0.01 0.51 -0.13 -1.83 0.00 0.00 0.00 175.10 173.63 2kpp s GLU 87 N 0.36 2.11 -0.30 2.72 -1.05 -0.45 -0.08 118.70 122.00 2kpp s GLU 87 Ca -0.16 -1.00 -0.04 0.00 -0.15 0.00 0.00 54.97 53.62 2kpp s GLU 87 Cb -0.17 -2.26 0.03 0.00 -0.44 0.00 0.00 34.13 31.29 2kpp s GLU 87 CO 0.07 0.53 0.04 0.42 0.95 0.00 0.00 175.26 177.26 2kpp s ILE 88 N -1.09 3.43 0.32 1.83 1.01 0.21 -0.03 121.20 126.88 2kpp s ILE 88 Ca 0.18 -1.08 0.10 0.00 0.00 0.00 0.00 60.65 59.86 2kpp s ILE 88 Cb -0.11 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.44 2kpp s ILE 88 CO 0.10 -0.02 -0.13 -1.59 0.00 0.00 0.00 174.94 173.30 2kpp s LYS 89 N 1.37 1.79 0.30 2.79 -2.85 -0.41 -0.99 119.74 121.74 2kpp s LYS 89 Ca -0.01 -1.86 -0.15 0.00 -1.00 0.00 0.00 55.97 52.95 2kpp s LYS 89 Cb -0.18 -1.75 -0.09 0.00 -2.06 0.00 0.00 37.83 33.75 2kpp s LYS 89 CO 0.00 0.21 0.72 0.45 0.10 0.00 0.00 175.35 176.84 2kpp s SER 90 N -3.58 6.80 0.25 0.03 0.15 -1.26 -0.40 113.70 115.68 2kpp s SER 90 Ca 0.32 1.27 0.24 0.00 0.70 0.00 0.00 55.95 58.48 2kpp s SER 90 Cb -0.01 -2.37 0.45 0.00 -1.71 0.00 0.00 66.02 62.38 2kpp s SER 90 CO 0.16 -0.17 1.51 0.71 1.20 0.00 0.00 173.24 176.65 2kpp h THR 91 N 2.06 0.00 -2.84 6.45 1.35 -1.48 -3.46 112.91 114.99 2kpp h THR 91 Ca -0.48 -0.69 -0.16 0.00 -0.55 0.00 0.00 66.41 64.53 2kpp h THR 91 Cb 1.18 1.51 0.06 0.00 -1.73 0.00 0.00 68.15 69.16 2kpp h THR 91 CO 0.66 0.00 0.14 0.00 -0.25 0.00 0.00 175.52 176.06 2kpp n GLN 92 N -2.50 -0.36 -2.15 4.72 1.13 -1.26 -4.93 117.38 112.02 2kpp n GLN 92 Ca 0.04 -0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 53.90 2kpp n GLN 92 Cb 0.48 -0.46 0.00 0.00 0.11 0.00 0.00 30.24 30.37 2kpp n GLN 92 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kpp n LYS 93 N -1.97 3.05 -4.08 -1.09 4.76 -1.26 -4.90 118.16 112.68 2kpp n LYS 93 Ca 0.06 -2.97 -0.33 0.00 -2.87 0.00 0.00 58.31 52.21 2kpp n LYS 93 Cb 0.21 -3.34 -0.15 0.00 -1.84 0.00 0.00 35.03 29.90 2kpp n LYS 93 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kpp s ASP 94 N 3.47 4.04 -0.06 4.39 1.11 -1.26 -4.97 116.67 123.38 2kpp s ASP 94 Ca 0.49 -1.13 0.17 0.00 0.18 0.00 0.00 52.55 52.27 2kpp s ASP 94 Cb 0.09 -1.54 0.58 0.00 1.07 0.00 0.00 42.92 43.12 2kpp s ASP 94 CO -0.01 -0.13 1.49 -1.54 1.18 0.00 0.00 175.17 176.16 2kpp n SER 95 N 4.51 4.00 -1.79 0.27 3.41 -1.26 -4.55 113.62 118.20 2kpp n SER 95 Ca -0.16 -2.27 -0.15 0.00 -0.26 0.00 0.00 58.87 56.03 2kpp n SER 95 Cb 0.45 -0.46 0.06 0.00 -0.26 0.00 0.00 64.21 64.00 2kpp n SER 95 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2kpp n LYS 96 N 0.95 1.76 -1.65 4.33 2.85 -1.26 -4.98 118.16 120.16 2kpp n LYS 96 Ca 0.21 -1.59 -0.37 0.00 -1.05 0.00 0.00 58.31 55.51 2kpp n LYS 96 Cb 0.70 -1.62 0.06 0.00 -0.65 0.00 0.00 35.03 33.52 2kpp n LYS 96 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kpp n ASP 97 N 0.04 1.12 0.13 -5.58 9.92 -1.26 -4.94 116.55 115.99 2kpp n ASP 97 Ca 0.31 0.80 -0.02 0.00 -0.53 0.00 0.00 54.79 55.35 2kpp n ASP 97 Cb 0.78 -1.44 0.15 0.00 -0.64 0.00 0.00 41.12 39.97 2kpp n ASP 97 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2kpp h PRO 98 N 0.43 0.00 -5.12 -0.24 0.13 -1.93 -3.47 132.00 121.80 2kpp h PRO 98 Ca -0.49 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.01 2kpp h PRO 98 Cb 1.36 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.36 2kpp h PRO 98 CO 0.51 0.64 -0.51 -0.51 -0.23 0.00 0.00 178.00 177.90 2kpp s ASP 99 N -6.82 3.57 -0.42 1.44 1.11 -1.26 -5.10 116.67 109.19 2kpp s ASP 99 Ca -0.01 -1.68 -0.27 0.00 0.18 0.00 0.00 52.55 50.77 2kpp s ASP 99 Cb 0.12 0.55 0.02 0.00 1.07 0.00 0.00 42.92 44.68 2kpp s ASP 99 CO 0.77 -0.90 1.02 0.42 1.18 0.00 0.00 175.17 177.65 2kpp s THR 100 N -3.02 4.43 -0.29 -1.27 -4.23 -1.26 -4.99 115.64 105.01 2kpp s THR 100 Ca 0.13 1.20 -0.14 0.00 -1.18 0.00 0.00 61.69 61.69 2kpp s THR 100 Cb 0.02 -4.46 0.11 0.00 1.34 0.00 0.00 72.50 69.51 2kpp s THR 100 CO 0.08 -0.74 0.72 -0.62 -0.54 0.00 0.00 174.62 173.52 2kpp s ASP 101 N 2.11 -0.94 -0.26 3.99 2.15 -1.26 -5.15 116.67 117.30 2kpp s ASP 101 Ca 0.42 1.42 -0.04 0.00 0.43 0.00 0.00 52.55 54.78 2kpp s ASP 101 Cb -0.10 1.67 0.01 0.00 -0.30 0.00 0.00 42.92 44.20 2kpp s ASP 101 CO 0.24 -0.21 0.00 -0.22 -0.17 0.00 0.00 175.17 174.81 2kpp s LEU 102 N 2.05 3.37 0.20 -1.34 2.96 -1.26 -5.06 118.68 119.59 2kpp s LEU 102 Ca -0.08 -0.66 -0.31 0.00 -0.22 0.00 0.00 54.13 52.86 2kpp s LEU 102 Cb -0.07 -1.77 -0.11 0.00 0.50 0.00 0.00 46.19 44.74 2kpp s LEU 102 CO -0.19 -0.12 1.59 -0.63 -1.32 0.00 0.00 176.35 175.68 2kpp s ILE 103 N 1.44 2.44 -0.15 6.68 1.01 -1.26 -4.99 121.20 126.36 2kpp s ILE 103 Ca 0.03 0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 2kpp s ILE 103 Cb -0.16 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 2kpp s ILE 103 CO -0.01 0.03 0.73 0.68 0.00 0.00 0.00 174.94 176.37 2kpp s VAL 104 N 0.87 4.97 -0.24 2.92 -7.23 -1.26 -4.97 120.40 115.47 2kpp s VAL 104 Ca 0.69 1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 62.29 2kpp s VAL 104 Cb -0.45 -4.05 0.17 0.00 0.56 0.00 0.00 36.38 32.61 2kpp s VAL 104 CO 0.35 0.11 1.96 -0.81 -0.31 0.00 0.00 175.10 176.40 2kpp n PRO 105 N 4.82 1.60 -2.16 4.82 -0.04 -1.26 -4.88 135.00 137.89 2kpp n PRO 105 Ca 0.01 -1.18 -0.30 0.00 -0.04 0.00 0.00 63.50 61.99 2kpp n PRO 105 Cb 0.50 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2kpp n PRO 105 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2kpp s ASN 106 N 0.58 5.40 0.15 3.54 0.01 -1.26 -4.70 114.94 118.66 2kpp s ASN 106 Ca 0.23 -1.34 0.27 0.00 -0.71 0.00 0.00 52.86 51.31 2kpp s ASN 106 Cb 0.18 -2.57 0.89 0.00 0.41 0.00 0.00 41.25 40.16 2kpp s ASN 106 CO -0.00 -2.60 1.79 0.00 -1.51 0.00 0.00 177.10 174.78 2kpp n LEU 107 N 13.08 0.60 -4.78 0.60 -0.00 -1.26 -4.89 117.00 120.36 2kpp n LEU 107 Ca 0.42 0.53 -0.31 0.00 -0.00 0.00 0.00 56.01 56.65 2kpp n LEU 107 Cb 0.47 -0.36 0.09 0.00 -0.00 0.00 0.00 43.42 43.62 2kpp n LEU 107 CO 0.65 -0.13 0.70 -1.61 -0.00 0.00 0.00 177.39 177.01 2kpp s GLU 108 N -3.08 2.35 -0.11 1.47 2.02 -1.26 -5.04 118.70 115.05 2kpp s GLU 108 Ca 0.11 1.13 -0.14 0.00 0.02 0.00 0.00 54.97 56.10 2kpp s GLU 108 Cb 0.14 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 2kpp s GLU 108 CO 0.59 -1.57 0.32 -1.01 0.02 0.00 0.00 175.26 173.61 2kpp s HIS 109 N -2.93 3.55 -0.43 1.61 3.76 -1.26 -5.06 115.29 114.53 2kpp s HIS 109 Ca 0.61 0.72 -0.18 0.00 -0.15 0.00 0.00 55.06 56.05 2kpp s HIS 109 Cb -0.17 -2.30 0.02 0.00 1.11 0.00 0.00 32.58 31.24 2kpp s HIS 109 CO 0.56 0.39 0.51 -1.01 -0.85 0.00 0.00 174.74 174.34 2kpp s HIS 110 N -0.07 3.13 0.19 1.40 0.09 -1.26 -4.98 115.29 113.79 2kpp s HIS 110 Ca 0.19 -0.25 -0.13 0.00 -0.00 0.00 0.00 55.06 54.87 2kpp s HIS 110 Cb -0.14 -3.05 0.19 0.00 -0.00 0.00 0.00 32.58 29.58 2kpp s HIS 110 CO 0.07 -0.76 1.71 1.25 -0.00 0.00 0.00 174.74 177.01 2kpp h HIS 111 N 8.77 0.12 -3.44 1.40 2.76 -2.07 -3.40 115.15 119.29 2kpp h HIS 111 Ca -0.26 0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.41 2kpp h HIS 111 Cb 1.11 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 2kpp h HIS 111 CO 0.66 -0.03 0.37 -3.38 -1.30 0.00 0.00 177.93 174.25 2kpp s HIS 112 N -6.14 3.69 0.41 5.26 -3.43 -1.26 -5.06 115.29 108.76 2kpp s HIS 112 Ca -0.13 1.72 -0.11 0.00 -0.80 0.00 0.00 55.06 55.73 2kpp s HIS 112 Cb 0.16 -3.11 -0.07 0.00 -1.43 0.00 0.00 32.58 28.13 2kpp s HIS 112 CO 0.73 0.03 0.79 -3.38 -2.00 0.00 0.00 174.74 170.91 2kpp s HIS 113 N 0.82 3.46 -2.37 0.38 -3.43 -1.26 -5.24 115.29 107.65 2kpp s HIS 113 Ca 0.51 1.10 0.29 0.00 -0.80 0.00 0.00 55.06 56.16 2kpp s HIS 113 Cb -0.21 -2.49 1.27 0.00 -1.43 0.00 0.00 32.58 29.72 2kpp s HIS 113 CO 0.28 -0.12 1.87 1.58 -2.00 0.00 0.00 174.74 176.35