#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 3.87 -0.02 3.17 1.02 -1.26 -4.86 119.74 121.67 2kpp s LYS 2 Ca 0.00 -1.86 -0.02 0.00 0.02 0.00 0.00 55.97 54.11 2kpp s LYS 2 Cb 0.00 -5.35 -0.06 0.00 -0.52 0.00 0.00 37.83 31.90 2kpp s LYS 2 CO 0.00 -2.11 2.44 0.09 -0.92 0.00 0.00 175.35 174.84 2kpp n ASN 3 N 7.86 5.38 -4.64 2.83 4.13 -1.26 -4.91 115.26 124.65 2kpp n ASN 3 Ca 0.40 -2.46 -0.43 0.00 1.68 0.00 0.00 54.58 53.77 2kpp n ASN 3 Cb 0.47 -1.20 -0.02 0.00 -1.54 0.00 0.00 39.78 37.48 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 0.15 4.07 0.00 3.41 2.01 -1.26 -4.95 115.64 119.06 2kpp s THR 4 Ca 0.19 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.44 2kpp s THR 4 Cb 0.10 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.65 2kpp s THR 4 CO -0.00 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 2kpp n GLY 5 N 4.10 0.07 3.57 4.40 0.00 -1.26 -4.95 105.19 111.11 2kpp n GLY 5 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.00 6.50 -0.67 1.61 -4.77 -1.26 -5.01 116.67 112.07 2kpp s ASP 6 Ca 0.00 0.14 -0.23 0.00 -3.30 0.00 0.00 52.55 49.17 2kpp s ASP 6 Cb 0.00 -2.42 0.07 0.00 -1.09 0.00 0.00 42.92 39.49 2kpp s ASP 6 CO 0.00 -0.91 0.98 -1.61 0.70 0.00 0.00 175.17 174.33 2kpp s GLU 7 N 3.41 3.13 0.28 2.11 2.02 -1.26 -4.80 118.70 123.58 2kpp s GLU 7 Ca 0.33 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.53 2kpp s GLU 7 Cb -0.12 -4.25 -0.03 0.00 0.10 0.00 0.00 34.13 29.83 2kpp s GLU 7 CO 0.22 -1.82 0.32 0.14 0.02 0.00 0.00 175.26 174.14 2kpp s VAL 8 N 4.05 4.51 0.10 2.63 -7.23 -1.26 -0.25 120.40 122.95 2kpp s VAL 8 Ca 0.23 -1.18 0.05 0.00 -1.81 0.00 0.00 61.98 59.27 2kpp s VAL 8 Cb -0.16 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 2kpp s VAL 8 CO 0.10 -0.28 -0.14 0.68 -0.31 0.00 0.00 175.10 175.15 2kpp s VAL 9 N -2.12 1.23 -0.23 1.32 -7.23 0.12 -0.88 120.40 112.61 2kpp s VAL 9 Ca 0.37 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 2kpp s VAL 9 Cb -0.08 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 2kpp s VAL 9 CO 0.28 -0.36 0.01 0.00 -0.31 0.00 0.00 175.10 174.71 2kpp s ALA 10 N -1.88 2.97 -0.38 1.32 0.00 0.66 -1.29 121.76 123.15 2kpp s ALA 10 Ca 0.05 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 2kpp s ALA 10 Cb -0.06 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.20 2kpp s ALA 10 CO 0.02 -0.46 0.26 0.42 0.00 0.00 0.00 175.76 176.01 2kpp s ILE 11 N 1.54 5.11 -0.39 0.00 -1.09 0.20 -1.47 121.20 125.10 2kpp s ILE 11 Ca 0.06 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.75 2kpp s ILE 11 Cb -0.15 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.96 2kpp s ILE 11 CO -0.00 -0.22 0.27 -0.63 -1.23 0.00 0.00 174.94 173.13 2kpp s ILE 12 N 1.66 5.11 -0.07 2.92 1.09 0.06 -1.90 121.20 130.09 2kpp s ILE 12 Ca 0.05 -0.62 -0.00 0.00 -1.10 0.00 0.00 60.65 58.98 2kpp s ILE 12 Cb -0.19 -3.80 -0.03 0.00 -1.06 0.00 0.00 42.46 37.38 2kpp s ILE 12 CO 0.09 -0.23 -0.04 -0.94 -0.10 0.00 0.00 174.94 173.72 2kpp s SER 13 N 1.66 4.92 -0.03 3.58 1.04 0.27 -1.46 113.70 123.67 2kpp s SER 13 Ca 0.05 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.50 2kpp s SER 13 Cb -0.19 -1.30 0.03 0.00 0.10 0.00 0.00 66.02 64.66 2kpp s SER 13 CO 0.09 0.36 0.07 -1.58 0.98 0.00 0.00 173.24 173.16 2kpp s GLN 14 N -0.93 0.02 -1.43 4.02 0.74 0.11 -0.75 119.66 121.43 2kpp s GLN 14 Ca 0.14 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.77 2kpp s GLN 14 Cb -0.11 -0.18 0.00 0.00 1.10 0.00 0.00 33.01 33.82 2kpp s GLN 14 CO 0.03 -0.14 0.00 0.09 -0.55 0.00 0.00 175.29 174.72 2kpp n ASN 15 N 4.01 -5.32 0.00 6.67 3.02 -0.52 -1.15 115.26 121.97 2kpp n ASN 15 Ca -0.25 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2kpp n ASN 15 Cb 0.52 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 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 0.05 0.92 3.52 7.41 0.00 -1.26 -5.07 105.19 110.75 2kpp n GLY 16 Ca -0.13 0.00 -0.34 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 -1.00 3.40 -0.22 1.61 -2.85 -0.30 -5.08 119.74 115.30 2kpp s LYS 17 Ca 0.00 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.15 2kpp s LYS 17 Cb 0.00 -2.81 -0.02 0.00 -2.06 0.00 0.00 37.83 32.94 2kpp s LYS 17 CO 0.00 0.37 1.49 0.08 0.10 0.00 0.00 175.35 177.39 2kpp s VAL 18 N 0.01 3.88 -0.07 1.79 1.01 -1.26 -0.71 120.40 125.04 2kpp s VAL 18 Ca 0.00 1.01 0.18 0.00 0.00 0.00 0.00 61.98 63.17 2kpp s VAL 18 Cb -0.13 -3.85 -0.28 0.00 0.00 0.00 0.00 36.38 32.12 2kpp s VAL 18 CO 0.03 -0.31 0.31 2.30 0.00 0.00 0.00 175.10 177.43 2kpp n ILE 19 N 6.16 0.38 -3.66 2.22 -5.35 -0.54 -4.96 119.36 113.62 2kpp n ILE 19 Ca 0.17 -0.54 -0.07 0.00 -0.27 0.00 0.00 62.75 62.04 2kpp n ILE 19 Cb 0.45 -0.12 -0.07 0.00 -1.74 0.00 0.00 39.64 38.16 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 -3.06 0.58 -0.20 6.28 6.06 -1.12 -5.05 118.95 122.44 2kpp s ARG 20 Ca -0.08 1.16 -0.00 0.00 -2.50 0.00 0.00 55.73 54.32 2kpp s ARG 20 Cb 0.10 0.27 0.02 0.00 0.06 0.00 0.00 34.95 35.40 2kpp s ARG 20 CO 0.78 -0.17 -0.15 -1.21 -2.50 0.00 0.00 175.30 172.05 2kpp s GLU 21 N 1.94 3.02 -0.12 5.12 8.01 -1.26 -0.76 118.70 134.65 2kpp s GLU 21 Ca -0.08 -0.82 0.03 0.00 0.01 0.00 0.00 54.97 54.10 2kpp s GLU 21 Cb -0.08 -2.70 0.01 0.00 -4.31 0.00 0.00 34.13 27.05 2kpp s GLU 21 CO -0.18 -0.24 -0.20 0.42 0.01 0.00 0.00 175.26 175.07 2kpp s ILE 22 N 1.32 1.89 -0.39 -1.63 1.01 -0.54 -4.98 121.20 117.88 2kpp s ILE 22 Ca 0.04 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 2kpp s ILE 22 Cb -0.14 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.67 2kpp s ILE 22 CO -0.10 0.52 1.32 -2.16 0.00 0.00 0.00 174.94 174.52 2kpp s PRO 23 N 0.75 3.72 -0.01 2.79 0.04 -1.26 -0.25 135.00 140.78 2kpp s PRO 23 Ca -0.10 0.97 -0.00 0.00 0.04 0.00 0.00 61.00 61.92 2kpp s PRO 23 Cb -0.16 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 2kpp s PRO 23 CO 0.01 -1.38 -0.00 -0.07 0.04 0.00 0.00 177.00 175.60 2kpp h LEU 24 N 11.57 0.00 -9.48 -3.56 3.38 -1.31 -3.40 115.31 112.50 2kpp h LEU 24 Ca -0.26 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.17 2kpp h LEU 24 Cb 1.09 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.88 2kpp h LEU 24 CO 1.08 0.04 1.12 0.41 0.09 0.00 0.00 178.44 181.17 2kpp n THR 25 N -2.20 0.41 0.00 0.22 -1.04 -1.16 -1.24 114.28 109.27 2kpp n THR 25 Ca -0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2kpp n THR 25 Cb 0.00 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 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 4.26 2.97 3.56 3.41 0.00 -1.26 -4.75 105.19 113.37 2kpp n GLY 26 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2kpp n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kpp s HIS 27 N -2.68 2.35 0.49 1.61 5.04 -0.37 -4.94 115.29 116.79 2kpp s HIS 27 Ca 0.00 -0.45 -0.18 0.00 -1.54 0.00 0.00 55.06 52.89 2kpp s HIS 27 Cb 0.00 -4.56 -0.09 0.00 0.04 0.00 0.00 32.58 27.97 2kpp s HIS 27 CO 0.00 -1.93 0.97 0.15 -2.34 0.00 0.00 174.74 171.60 2kpp s LYS 28 N 5.47 4.02 0.65 2.88 1.02 -1.26 -0.97 119.74 131.55 2kpp s LYS 28 Ca 0.50 0.99 0.00 0.00 0.02 0.00 0.00 55.97 57.48 2kpp s LYS 28 Cb -0.02 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2kpp s LYS 28 CO -0.05 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 2kpp n GLY 29 N -1.34 -1.78 3.40 -3.33 0.00 -1.26 -4.86 105.19 96.01 2kpp n GLY 29 Ca 0.07 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 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 3.48 -0.00 1.61 3.84 -1.26 -1.97 114.94 116.64 2kpp s ASN 30 Ca 0.00 -0.52 0.00 0.00 0.21 0.00 0.00 52.86 52.55 2kpp s ASN 30 Cb 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 41.25 40.26 2kpp s ASN 30 CO 0.00 0.25 -0.00 -0.70 -2.79 0.00 0.00 177.10 173.86 2kpp s GLU 31 N -1.38 0.02 -0.04 0.43 2.56 0.83 -4.98 118.70 116.16 2kpp s GLU 31 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 54.97 55.09 2kpp s GLU 31 Cb -0.10 -0.04 0.02 0.00 2.00 0.00 0.00 34.13 36.01 2kpp s GLU 31 CO 0.04 -0.00 0.08 -0.65 -0.56 0.00 0.00 175.26 174.16 2kpp s GLN 32 N 0.07 0.04 -0.09 4.30 -0.21 -1.26 -0.06 119.66 122.44 2kpp s GLN 32 Ca -0.01 0.21 -0.12 0.00 0.02 0.00 0.00 55.36 55.47 2kpp s GLN 32 Cb -0.01 -0.13 0.03 0.00 1.00 0.00 0.00 33.01 33.90 2kpp s GLN 32 CO -0.00 -0.11 0.31 -0.59 -2.12 0.00 0.00 175.29 172.78 2kpp s PHE 33 N 0.75 -0.30 -0.34 0.91 -0.71 -0.75 -5.03 117.98 112.51 2kpp s PHE 33 Ca -0.06 0.69 -0.14 0.00 -1.04 0.00 0.00 56.93 56.38 2kpp s PHE 33 Cb -0.08 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.82 2kpp s PHE 33 CO -0.03 -0.22 0.32 0.99 -1.34 0.00 0.00 175.22 174.93 2kpp s THR 34 N -0.22 5.21 -0.41 -4.49 2.01 -1.26 -1.15 115.64 115.34 2kpp s THR 34 Ca -0.04 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2kpp s THR 34 Cb -0.03 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.72 2kpp s THR 34 CO 0.01 -0.07 1.11 -0.63 -0.69 0.00 0.00 174.62 174.35 2kpp s ILE 35 N 1.90 4.34 -0.51 1.82 1.01 0.58 -4.92 121.20 125.42 2kpp s ILE 35 Ca 0.09 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.91 2kpp s ILE 35 Cb -0.17 -4.52 0.03 0.00 0.01 0.00 0.00 42.46 37.81 2kpp s ILE 35 CO 0.11 -0.77 1.19 -0.54 0.00 0.00 0.00 174.94 174.94 2kpp s LYS 36 N 4.09 3.62 0.00 2.79 1.02 -1.26 -1.11 119.74 128.89 2kpp s LYS 36 Ca 0.47 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.94 2kpp s LYS 36 Cb -0.09 -3.97 0.00 0.00 -0.52 0.00 0.00 37.83 33.25 2kpp s LYS 36 CO 0.24 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.55 2kpp n GLY 37 N 4.97 0.61 2.93 -3.33 0.00 -0.71 -5.01 105.19 104.65 2kpp n GLY 37 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.24 5.55 1.61 2.20 -0.78 -5.01 119.74 123.55 2kpp s LYS 38 Ca 0.00 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2kpp s LYS 38 Cb 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 37.83 35.85 2kpp s LYS 38 CO 0.00 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2kpp n GLY 39 N 5.35 1.09 0.00 5.54 0.00 -1.26 -0.89 105.19 115.02 2kpp n GLY 39 Ca -0.05 0.46 0.12 0.00 0.00 0.00 0.00 46.02 46.54 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 9.57 3.79 -2.68 4.61 0.00 -1.26 -4.89 120.51 129.65 2kpp n ALA 40 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 2kpp n ALA 40 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.00 4.43 0.26 0.00 -0.21 -0.07 -4.93 119.66 116.14 2kpp s GLN 41 Ca 0.10 1.41 -0.05 0.00 0.02 0.00 0.00 55.36 56.85 2kpp s GLN 41 Cb 0.17 -3.54 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 2kpp s GLN 41 CO 0.73 -0.30 0.33 1.52 -2.12 0.00 0.00 175.29 175.45 2kpp s TYR 42 N 1.94 0.92 -0.18 0.91 1.13 -1.26 -1.73 117.35 119.08 2kpp s TYR 42 Ca 0.49 -1.17 -0.04 0.00 -1.41 0.00 0.00 57.07 54.95 2kpp s TYR 42 Cb -0.19 -0.22 0.06 0.00 -1.10 0.00 0.00 41.96 40.51 2kpp s TYR 42 CO 0.19 -0.88 0.06 -0.80 -2.51 0.00 0.00 175.55 171.61 2kpp s ASN 43 N -3.15 2.60 -0.51 -0.18 -0.87 -0.26 -3.81 114.94 108.76 2kpp s ASN 43 Ca 0.32 -0.70 -0.25 0.00 -1.57 0.00 0.00 52.86 50.66 2kpp s ASN 43 Cb 0.02 -0.43 0.03 0.00 -0.02 0.00 0.00 41.25 40.86 2kpp s ASN 43 CO 0.14 -0.32 0.96 -0.22 -2.57 0.00 0.00 177.10 175.09 2kpp s LEU 44 N 1.99 3.99 0.08 0.60 2.96 0.39 -0.31 118.68 128.37 2kpp s LEU 44 Ca 0.01 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2kpp s LEU 44 Cb -0.16 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 2kpp s LEU 44 CO -0.08 -1.17 0.21 -0.04 -1.32 0.00 0.00 176.35 173.94 2kpp s MET 45 N 3.97 3.37 -0.02 1.98 -1.94 -0.30 0.03 119.30 126.39 2kpp s MET 45 Ca 0.35 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 2kpp s MET 45 Cb -0.11 -2.99 0.03 0.00 2.01 0.00 0.00 34.83 33.77 2kpp s MET 45 CO 0.23 0.59 0.01 -2.00 -0.01 0.00 0.00 175.02 173.84 2kpp s GLU 46 N -2.63 0.14 -0.33 2.03 2.12 -0.06 -1.81 118.70 118.15 2kpp s GLU 46 Ca 0.34 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.75 2kpp s GLU 46 Cb -0.13 -0.35 0.06 0.00 0.26 0.00 0.00 34.13 33.98 2kpp s GLU 46 CO 0.27 -0.13 0.07 0.08 -0.54 0.00 0.00 175.26 175.01 2kpp s VAL 47 N 0.95 3.25 -0.01 3.70 1.01 0.92 -0.67 120.40 129.55 2kpp s VAL 47 Ca -0.09 -1.48 0.04 0.00 0.00 0.00 0.00 61.98 60.45 2kpp s VAL 47 Cb -0.12 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2kpp s VAL 47 CO -0.02 -0.26 -0.12 -0.62 0.00 0.00 0.00 175.10 174.08 2kpp s ASP 48 N 1.43 1.39 -1.32 3.32 -1.08 0.10 -0.12 116.67 120.39 2kpp s ASP 48 Ca -0.01 -0.22 -0.02 0.00 -0.52 0.00 0.00 52.55 51.78 2kpp s ASP 48 Cb -0.20 -0.15 -0.00 0.00 -1.46 0.00 0.00 42.92 41.10 2kpp s ASP 48 CO -0.01 0.14 0.62 0.61 0.52 0.00 0.00 175.17 177.05 2kpp n GLY 49 N 2.77 -0.35 2.44 2.66 0.00 -0.83 -1.75 105.19 110.14 2kpp n GLY 49 Ca -0.14 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.28 -0.95 -4.00 1.61 1.02 -0.15 -4.98 120.64 108.91 2kpp n GLU 50 Ca -0.28 0.59 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 2kpp n GLU 50 Cb 0.67 -4.50 -0.07 0.00 -0.02 0.00 0.00 31.44 27.52 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 -2.05 1.25 0.11 3.49 1.70 -0.72 -3.35 118.95 119.39 2kpp s ARG 51 Ca 0.00 -1.25 0.08 0.00 -0.47 0.00 0.00 55.73 54.09 2kpp s ARG 51 Cb 0.00 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2kpp s ARG 51 CO 0.00 -0.47 -0.20 -1.50 -1.08 0.00 0.00 175.30 172.06 2kpp s ILE 52 N -4.00 1.65 0.12 4.99 2.07 -0.91 0.02 121.20 125.14 2kpp s ILE 52 Ca 0.21 -1.57 -0.19 0.00 -1.41 0.00 0.00 60.65 57.69 2kpp s ILE 52 Cb 0.03 -1.54 0.05 0.00 0.13 0.00 0.00 42.46 41.13 2kpp s ILE 52 CO 0.04 -0.12 0.47 0.00 -1.91 0.00 0.00 174.94 173.41 2kpp s ARG 53 N -2.02 1.12 -0.33 3.50 1.04 0.15 -1.06 118.95 121.35 2kpp s ARG 53 Ca 0.07 -0.57 -0.24 0.00 -1.04 0.00 0.00 55.73 53.94 2kpp s ARG 53 Cb -0.09 0.50 0.01 0.00 -2.04 0.00 0.00 34.95 33.32 2kpp s ARG 53 CO 0.04 -0.45 0.83 0.42 -0.04 0.00 0.00 175.30 176.11 2kpp s ILE 54 N -3.57 4.72 0.10 4.99 1.01 -1.26 -0.88 121.20 126.31 2kpp s ILE 54 Ca 0.01 1.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 2kpp s ILE 54 Cb 0.01 -4.21 -0.25 0.00 0.01 0.00 0.00 42.46 38.01 2kpp s ILE 54 CO -0.11 -0.36 1.20 0.50 0.00 0.00 0.00 174.94 176.18 2kpp h LYS 55 N 8.26 0.28 -1.35 2.79 3.64 -0.71 -3.43 116.57 126.04 2kpp h LYS 55 Ca -0.24 -0.42 0.13 0.00 -1.27 0.00 0.00 60.65 58.85 2kpp h LYS 55 Cb 1.09 0.15 -0.29 0.00 -0.41 0.00 0.00 32.23 32.76 2kpp h LYS 55 CO 0.92 1.16 0.64 -2.00 -2.27 0.00 0.00 179.45 177.90 2kpp s GLU 56 N -2.83 0.29 -0.03 1.90 2.56 -1.12 -5.02 118.70 114.45 2kpp s GLU 56 Ca -0.04 0.36 -0.20 0.00 0.00 0.00 0.00 54.97 55.10 2kpp s GLU 56 Cb 0.08 0.13 0.04 0.00 2.00 0.00 0.00 34.13 36.38 2kpp s GLU 56 CO 0.87 -0.04 0.42 0.16 -0.56 0.00 0.00 175.26 176.12 2kpp s ASP 57 N 0.28 -0.33 -1.09 -1.70 1.47 -1.26 -0.46 116.67 113.58 2kpp s ASP 57 Ca 0.03 0.28 -0.06 0.00 1.18 0.00 0.00 52.55 53.98 2kpp s ASP 57 Cb -0.05 0.38 0.29 0.00 -0.34 0.00 0.00 42.92 43.21 2kpp s ASP 57 CO -0.11 -0.50 1.30 -0.46 0.68 0.00 0.00 175.17 176.08 2kpp n ASN 58 N 1.17 5.96 -4.31 2.11 6.94 -1.25 -4.97 115.26 120.92 2kpp n ASN 58 Ca -0.21 -3.24 -0.25 0.00 -0.02 0.00 0.00 54.58 50.86 2kpp n ASN 58 Cb 0.56 -1.31 -0.13 0.00 -2.36 0.00 0.00 39.78 36.55 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 -0.36 2.68 0.52 0.53 1.04 -1.26 -4.79 113.70 112.06 2kpp s SER 59 Ca 0.31 -0.70 0.29 0.00 0.48 0.00 0.00 55.95 56.34 2kpp s SER 59 Cb -0.02 -0.16 1.37 0.00 0.10 0.00 0.00 66.02 67.32 2kpp s SER 59 CO 0.02 0.08 2.01 1.55 0.98 0.00 0.00 173.24 177.88 2kpp h PRO 60 N 4.05 0.00 0.24 4.02 0.13 -2.01 -3.24 132.00 135.20 2kpp h PRO 60 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2kpp h PRO 60 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kpp h PRO 60 CO 0.39 0.12 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.73 2kpp h ASP 61 N 0.00 -0.27 -0.17 1.44 5.19 -1.99 -3.47 116.42 117.14 2kpp h ASP 61 Ca -0.00 -0.20 -0.07 0.00 -0.62 0.00 0.00 57.03 56.14 2kpp h ASP 61 Cb 0.45 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 2kpp h ASP 61 CO 0.02 0.23 -0.06 0.00 -3.12 0.00 0.00 179.24 176.30 2kpp n GLN 62 N -4.99 -1.69 -0.20 3.56 1.13 -1.23 -4.85 117.38 109.11 2kpp n GLN 62 Ca -0.07 0.58 0.08 0.00 -1.94 0.00 0.00 57.00 55.65 2kpp n GLN 62 Cb 0.23 -4.91 0.37 0.00 0.11 0.00 0.00 30.24 26.04 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 0.97 -0.32 5.09 2.07 -1.91 -1.95 116.25 120.19 2kpp h VAL 63 Ca -0.07 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2kpp h VAL 63 Cb 0.95 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2kpp h VAL 63 CO 0.10 0.13 0.14 1.23 0.02 0.00 0.00 177.57 179.20 2kpp h GLY 64 N 0.71 0.42 0.81 2.17 0.00 -1.89 -0.15 103.07 105.14 2kpp h GLY 64 Ca 0.34 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.62 2kpp h GLY 64 CO -0.12 0.07 0.53 -2.08 0.00 0.00 0.00 176.54 174.93 2kpp h VAL 65 N 0.30 1.09 0.00 4.60 2.07 -1.64 -2.27 116.25 120.40 2kpp h VAL 65 Ca 0.14 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2kpp h VAL 65 Cb 0.07 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2kpp h VAL 65 CO -0.11 0.18 -0.34 0.11 0.02 0.00 0.00 177.57 177.43 2kpp h LYS 66 N 1.01 0.00 -0.79 1.57 6.56 -0.95 -2.95 116.57 121.01 2kpp h LYS 66 Ca 0.35 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.97 2kpp h LYS 66 Cb 0.08 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.69 2kpp h LYS 66 CO -0.14 0.34 0.51 0.52 -2.06 0.00 0.00 179.45 178.62 2kpp h MET 67 N 0.00 0.97 0.00 3.15 2.86 -0.42 -3.48 114.93 118.01 2kpp h MET 67 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2kpp h MET 67 Cb 0.62 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2kpp h MET 67 CO 0.04 0.64 0.00 0.41 1.06 0.00 0.00 176.91 179.07 2kpp n GLY 68 N -1.32 1.42 3.71 8.32 0.00 -1.12 -4.75 105.19 111.45 2kpp n GLY 68 Ca 0.09 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 3.62 0.07 1.61 0.52 -1.26 -4.22 118.94 119.28 2kpp s TRP 69 Ca 0.00 1.56 0.06 0.00 0.02 0.00 0.00 56.10 57.74 2kpp s TRP 69 Cb 0.00 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 2kpp s TRP 69 CO 0.00 -0.00 -0.16 0.15 0.02 0.00 0.00 176.95 176.96 2kpp s LYS 70 N 1.04 0.94 0.00 4.98 -0.14 -0.22 -5.01 119.74 121.33 2kpp s LYS 70 Ca 0.48 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 2kpp s LYS 70 Cb -0.20 -1.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.95 2kpp s LYS 70 CO 0.24 0.23 0.18 -1.13 -0.76 0.00 0.00 175.35 174.12 2kpp n SER 71 N 1.44 -0.13 -4.34 2.83 3.41 -1.26 -2.13 113.62 113.43 2kpp n SER 71 Ca -0.20 -0.37 -0.30 0.00 -0.26 0.00 0.00 58.87 57.75 2kpp n SER 71 Cb 0.54 0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.77 -0.62 4.33 -0.14 -1.26 -4.85 119.74 118.97 2kpp s LYS 72 Ca 0.00 -1.11 -0.26 0.00 -1.36 0.00 0.00 55.97 53.24 2kpp s LYS 72 Cb 0.00 -1.96 -0.10 0.00 -1.68 0.00 0.00 37.83 34.09 2kpp s LYS 72 CO 0.00 0.51 2.42 0.00 -0.76 0.00 0.00 175.35 177.52 2kpp n ALA 73 N 1.75 0.61 0.00 5.17 0.00 -1.26 -1.39 120.51 125.39 2kpp n ALA 73 Ca -0.17 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2kpp n ALA 73 Cb 0.52 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.76 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 6.31 1.10 3.75 0.00 0.00 0.07 -4.96 105.19 111.46 2kpp n GLY 74 Ca 0.42 0.00 -0.41 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 0.00 6.61 0.01 1.61 1.01 -0.49 -4.81 116.67 120.60 2kpp s ASP 75 Ca 0.00 2.72 0.01 0.00 0.71 0.00 0.00 52.55 55.99 2kpp s ASP 75 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 2kpp s ASP 75 CO 0.00 -0.73 -0.03 0.42 0.21 0.00 0.00 175.17 175.04 2kpp s THR 76 N -0.07 0.19 -0.12 -1.27 -4.23 -1.26 -0.37 115.64 108.50 2kpp s THR 76 Ca 0.59 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 2kpp s THR 76 Cb -0.43 -0.20 -0.01 0.00 1.34 0.00 0.00 72.50 73.20 2kpp s THR 76 CO 0.45 -0.07 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.68 2kpp s ILE 77 N -0.37 2.97 -0.16 2.99 -1.09 0.74 -4.97 121.20 121.30 2kpp s ILE 77 Ca -0.03 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 2kpp s ILE 77 Cb -0.03 -2.23 0.02 0.00 -1.58 0.00 0.00 42.46 38.65 2kpp s ILE 77 CO -0.00 0.53 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.40 2kpp s VAL 78 N 0.24 1.73 -0.53 2.92 1.01 -1.26 -1.07 120.40 123.44 2kpp s VAL 78 Ca -0.10 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2kpp s VAL 78 Cb -0.16 -1.61 0.14 0.00 0.00 0.00 0.00 36.38 34.75 2kpp s VAL 78 CO 0.05 0.46 0.28 0.00 0.00 0.00 0.00 175.10 175.90 2kpp h LEU 80 N 6.40 -0.49 -2.40 0.00 3.38 -1.96 -0.05 115.31 120.18 2kpp h LEU 80 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kpp h LEU 80 Cb 0.88 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2kpp h LEU 80 CO 0.66 -0.32 0.00 -0.65 0.09 0.00 0.00 178.44 178.21 2kpp h PRO 81 N -0.51 0.00 -0.01 1.13 0.11 -1.96 -1.16 132.00 129.59 2kpp h PRO 81 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2kpp h PRO 81 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2kpp h PRO 81 CO 0.05 0.00 -0.40 0.72 -0.21 0.00 0.00 178.00 178.16 2kpp n HIS 82 N -2.97 0.00 -2.96 0.65 8.25 -1.05 -4.99 115.22 112.15 2kpp n HIS 82 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 2kpp n HIS 82 Cb 0.13 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.18 -4.18 -4.46 -0.41 5.02 -0.11 -4.76 118.16 109.09 2kpp n LYS 83 Ca 0.07 0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 56.88 2kpp n LYS 83 Cb 0.36 -5.67 -0.12 0.00 -0.02 0.00 0.00 35.03 29.59 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 -3.11 3.86 -0.02 -0.18 1.01 -0.73 -1.44 120.40 119.79 2kpp s VAL 84 Ca 0.26 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2kpp s VAL 84 Cb -0.12 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2kpp s VAL 84 CO 0.32 0.53 -0.08 0.12 0.00 0.00 0.00 175.10 175.99 2kpp s PHE 85 N 0.01 0.81 -0.01 5.22 5.36 0.07 -0.89 117.98 128.55 2kpp s PHE 85 Ca 0.00 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.81 2kpp s PHE 85 Cb -0.13 -0.58 -0.01 0.00 -0.34 0.00 0.00 43.02 41.96 2kpp s PHE 85 CO 0.03 -0.08 -0.09 0.08 -1.46 0.00 0.00 175.22 173.70 2kpp s VAL 86 N 0.17 0.73 0.15 3.12 1.01 -0.23 -0.57 120.40 124.77 2kpp s VAL 86 Ca -0.02 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.65 2kpp s VAL 86 Cb -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2kpp s VAL 86 CO 0.00 0.21 -0.17 -1.83 0.00 0.00 0.00 175.10 173.31 2kpp s GLU 87 N -0.16 1.19 -0.16 2.72 -1.05 -0.80 -0.18 118.70 120.26 2kpp s GLU 87 Ca 0.03 -1.34 0.01 0.00 -0.15 0.00 0.00 54.97 53.52 2kpp s GLU 87 Cb -0.04 -1.23 0.01 0.00 -0.44 0.00 0.00 34.13 32.43 2kpp s GLU 87 CO -0.00 0.25 -0.18 0.42 0.95 0.00 0.00 175.26 176.70 2kpp s ILE 88 N -1.98 2.35 0.02 1.83 1.01 0.50 -0.62 121.20 124.31 2kpp s ILE 88 Ca 0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2kpp s ILE 88 Cb -0.06 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2kpp s ILE 88 CO 0.05 0.53 -0.01 -1.59 0.00 0.00 0.00 174.94 173.92 2kpp s LYS 89 N 1.03 0.36 0.49 2.79 -2.85 -0.41 -0.75 119.74 120.39 2kpp s LYS 89 Ca -0.02 -0.66 -0.20 0.00 -1.00 0.00 0.00 55.97 54.09 2kpp s LYS 89 Cb -0.15 0.13 -0.08 0.00 -2.06 0.00 0.00 37.83 35.67 2kpp s LYS 89 CO -0.05 -0.06 1.05 0.45 0.10 0.00 0.00 175.35 176.84 2kpp s SER 90 N -1.62 6.27 0.52 0.03 0.15 -1.26 0.13 113.70 117.91 2kpp s SER 90 Ca -0.13 1.97 0.31 0.00 0.70 0.00 0.00 55.95 58.80 2kpp s SER 90 Cb -0.08 -2.56 1.26 0.00 -1.71 0.00 0.00 66.02 62.93 2kpp s SER 90 CO -0.02 -0.83 1.95 0.71 1.20 0.00 0.00 173.24 176.25 2kpp h THR 91 N 1.54 0.17 -2.81 6.45 1.35 -0.95 -3.44 112.91 115.21 2kpp h THR 91 Ca -0.50 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2kpp h THR 91 Cb 1.23 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2kpp h THR 91 CO 0.59 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.92 2kpp n GLN 92 N -3.19 0.39 -1.73 4.72 10.64 -1.26 -4.98 117.38 121.96 2kpp n GLN 92 Ca 0.00 -0.02 -0.42 0.00 -1.83 0.00 0.00 57.00 54.72 2kpp n GLN 92 Cb 0.33 -0.01 -0.03 0.00 -0.86 0.00 0.00 30.24 29.68 2kpp n GLN 92 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2kpp s LYS 93 N -2.63 3.74 0.33 2.61 1.02 -1.26 -4.97 119.74 118.58 2kpp s LYS 93 Ca 0.01 2.25 0.08 0.00 0.02 0.00 0.00 55.97 58.32 2kpp s LYS 93 Cb -0.00 -4.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.07 2kpp s LYS 93 CO 0.00 -1.40 0.26 0.34 -0.92 0.00 0.00 175.35 173.63 2kpp s ASP 94 N 5.70 5.18 -0.10 2.83 -1.08 -1.26 -5.01 116.67 122.92 2kpp s ASP 94 Ca 0.89 -0.54 0.01 0.00 -0.52 0.00 0.00 52.55 52.39 2kpp s ASP 94 Cb -0.36 -0.94 0.13 0.00 -1.46 0.00 0.00 42.92 40.29 2kpp s ASP 94 CO 0.37 -0.33 1.26 -1.54 0.52 0.00 0.00 175.17 175.44 2kpp n SER 95 N -1.32 3.38 -4.91 -0.34 3.41 -1.26 -4.91 113.62 107.66 2kpp n SER 95 Ca -0.02 -2.36 -0.27 0.00 -0.26 0.00 0.00 58.87 55.96 2kpp n SER 95 Cb 0.60 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2kpp n SER 95 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kpp s LYS 96 N -0.68 3.45 0.32 4.33 -0.14 -1.26 -5.09 119.74 120.67 2kpp s LYS 96 Ca 0.12 0.08 -0.19 0.00 -1.36 0.00 0.00 55.97 54.62 2kpp s LYS 96 Cb 0.10 -2.41 -0.09 0.00 -1.68 0.00 0.00 37.83 33.75 2kpp s LYS 96 CO 0.02 -0.22 0.80 0.16 -0.76 0.00 0.00 175.35 175.36 2kpp s ASP 97 N -4.12 6.96 -0.00 2.83 -4.77 -1.26 -4.98 116.67 111.32 2kpp s ASP 97 Ca 0.47 1.48 0.07 0.00 -3.30 0.00 0.00 52.55 51.27 2kpp s ASP 97 Cb -0.10 -2.45 0.20 0.00 -1.09 0.00 0.00 42.92 39.48 2kpp s ASP 97 CO 0.44 -0.15 1.16 -0.81 0.70 0.00 0.00 175.17 176.50 2kpp n PRO 98 N 0.00 1.55 -0.09 2.11 -0.04 -1.26 -4.18 135.00 133.08 2kpp n PRO 98 Ca 0.02 -0.83 0.01 0.00 -0.04 0.00 0.00 63.50 62.67 2kpp n PRO 98 Cb 0.52 -1.19 0.05 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.17 1.28 -4.66 3.54 9.92 -1.26 -4.86 116.55 120.69 2kpp n ASP 99 Ca 0.08 -2.08 -0.27 0.00 -0.53 0.00 0.00 54.79 51.98 2kpp n ASP 99 Cb 0.20 -0.40 -0.08 0.00 -0.64 0.00 0.00 41.12 40.21 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 -1.40 3.70 -0.07 -3.53 -4.23 -1.26 -4.97 115.64 103.88 2kpp s THR 100 Ca 0.07 -1.38 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 2kpp s THR 100 Cb 0.05 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 71.06 2kpp s THR 100 CO 0.03 -0.07 0.10 -0.67 -0.54 0.00 0.00 174.62 173.46 2kpp n ASP 101 N 0.01 -1.96 -2.43 3.99 2.03 -1.26 -5.12 116.55 111.80 2kpp n ASP 101 Ca -0.10 0.65 -0.02 0.00 0.52 0.00 0.00 54.79 55.85 2kpp n ASP 101 Cb 0.55 -2.93 0.01 0.00 -0.72 0.00 0.00 41.12 38.03 2kpp n ASP 101 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kpp n LEU 102 N 0.79 0.00 -4.58 -2.67 -0.00 -1.26 -5.10 117.00 104.17 2kpp n LEU 102 Ca -0.16 -0.89 -0.41 0.00 -0.00 0.00 0.00 56.01 54.55 2kpp n LEU 102 Cb 0.25 1.73 -0.03 0.00 -0.00 0.00 0.00 43.42 45.37 2kpp n LEU 102 CO 0.15 -0.30 1.63 -0.63 -0.00 0.00 0.00 177.39 178.24 2kpp s ILE 103 N -2.25 3.36 0.14 1.47 1.01 -1.26 -4.96 121.20 118.71 2kpp s ILE 103 Ca 0.14 0.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 2kpp s ILE 103 Cb -0.02 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 2kpp s ILE 103 CO 0.03 -0.53 1.37 0.54 0.00 0.00 0.00 174.94 176.35 2kpp s VAL 104 N 8.31 3.29 -0.42 2.92 0.11 -1.26 -4.96 120.40 128.39 2kpp s VAL 104 Ca 0.78 0.96 -0.28 0.00 -2.93 0.00 0.00 61.98 60.51 2kpp s VAL 104 Cb -0.19 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 2kpp s VAL 104 CO 0.28 0.09 1.79 -2.16 -3.33 0.00 0.00 175.10 171.77 2kpp s PRO 105 N 0.78 3.15 -1.00 1.54 0.04 -1.26 -4.93 135.00 133.32 2kpp s PRO 105 Ca 0.62 1.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.58 2kpp s PRO 105 Cb -0.37 -4.24 -0.06 0.00 0.04 0.00 0.00 34.50 29.87 2kpp s PRO 105 CO 0.32 -2.09 1.95 -0.80 0.04 0.00 0.00 177.00 176.43 2kpp s ASN 106 N 6.51 5.08 0.35 6.66 0.01 -1.26 -4.95 114.94 127.33 2kpp s ASN 106 Ca 0.75 -1.02 -0.28 0.00 -0.71 0.00 0.00 52.86 51.59 2kpp s ASN 106 Cb -0.19 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 38.80 2kpp s ASN 106 CO 0.30 -2.89 1.34 -1.48 -1.51 0.00 0.00 177.10 172.86 2kpp s LEU 107 N 10.51 4.38 -1.17 0.60 2.34 -1.26 -4.90 118.68 129.18 2kpp s LEU 107 Ca 0.70 2.75 -0.22 0.00 0.06 0.00 0.00 54.13 57.41 2kpp s LEU 107 Cb -0.05 -3.69 -0.07 0.00 -0.56 0.00 0.00 46.19 41.82 2kpp s LEU 107 CO 0.04 -0.64 1.91 -1.61 -1.06 0.00 0.00 176.35 175.00 2kpp s GLU 108 N -1.92 2.64 -0.09 1.48 0.41 -1.26 -4.87 118.70 115.09 2kpp s GLU 108 Ca 0.51 -1.18 -0.01 0.00 -0.41 0.00 0.00 54.97 53.88 2kpp s GLU 108 Cb -0.41 -5.26 0.03 0.00 -1.78 0.00 0.00 34.13 26.71 2kpp s GLU 108 CO 0.54 -3.78 -0.03 -1.58 -0.49 0.00 0.00 175.26 169.93 2kpp s HIS 109 N 10.32 1.02 -0.23 1.61 2.46 -1.26 -5.11 115.29 124.09 2kpp s HIS 109 Ca 0.67 -0.44 -0.29 0.00 0.47 0.00 0.00 55.06 55.47 2kpp s HIS 109 Cb -0.01 -0.99 -0.02 0.00 -0.13 0.00 0.00 32.58 31.44 2kpp s HIS 109 CO 0.12 -0.42 1.43 -1.58 -2.47 0.00 0.00 174.74 171.82 2kpp s HIS 110 N 1.86 2.46 -0.26 3.88 2.46 -1.26 -4.97 115.29 119.45 2kpp s HIS 110 Ca 0.05 0.73 -0.02 0.00 0.47 0.00 0.00 55.06 56.28 2kpp s HIS 110 Cb -0.13 -3.86 0.15 0.00 -0.13 0.00 0.00 32.58 28.61 2kpp s HIS 110 CO -0.07 -2.30 0.45 -3.38 -2.47 0.00 0.00 174.74 166.98 2kpp s HIS 111 N 4.48 -1.08 -0.35 3.88 -3.43 -1.26 -5.12 115.29 112.42 2kpp s HIS 111 Ca 0.62 1.13 -0.27 0.00 -0.80 0.00 0.00 55.06 55.75 2kpp s HIS 111 Cb -0.22 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 31.08 2kpp s HIS 111 CO 0.24 -0.77 2.26 -1.58 -2.00 0.00 0.00 174.74 172.89 2kpp s HIS 112 N 2.65 1.18 -0.33 0.38 2.46 -1.26 -4.95 115.29 115.43 2kpp s HIS 112 Ca 0.15 0.96 -0.15 0.00 0.47 0.00 0.00 55.06 56.49 2kpp s HIS 112 Cb -0.15 -3.81 -0.02 0.00 -0.13 0.00 0.00 32.58 28.47 2kpp s HIS 112 CO -0.17 -3.34 0.34 -3.38 -2.47 0.00 0.00 174.74 165.71 2kpp s HIS 113 N 9.79 3.22 -2.24 3.88 -3.43 -1.26 -5.30 115.29 119.95 2kpp s HIS 113 Ca 0.97 0.02 0.30 0.00 -0.80 0.00 0.00 55.06 55.55 2kpp s HIS 113 Cb -0.25 -2.62 1.50 0.00 -1.43 0.00 0.00 32.58 29.77 2kpp s HIS 113 CO 0.31 -0.38 2.00 1.58 -2.00 0.00 0.00 174.74 176.24