#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 3.09 -1.13 0.03 2.36 -1.26 -4.98 119.74 117.85 2kpp s LYS 2 Ca 0.00 -1.03 -0.22 0.00 -2.55 0.00 0.00 55.97 52.17 2kpp s LYS 2 Cb 0.00 -4.22 -0.02 0.00 -1.05 0.00 0.00 37.83 32.54 2kpp s LYS 2 CO 0.00 -1.59 1.83 -0.80 1.55 0.00 0.00 175.35 176.33 2kpp s ASN 3 N 3.48 5.67 0.24 1.43 -0.87 -1.26 -4.95 114.94 118.68 2kpp s ASN 3 Ca 0.17 -1.62 -0.31 0.00 -1.57 0.00 0.00 52.86 49.53 2kpp s ASN 3 Cb -0.20 -2.58 -0.11 0.00 -0.02 0.00 0.00 41.25 38.34 2kpp s ASN 3 CO 0.09 -2.35 1.54 -0.89 -2.57 0.00 0.00 177.10 172.92 2kpp s THR 4 N 8.43 2.41 0.02 1.60 2.01 -1.26 -4.95 115.64 123.90 2kpp s THR 4 Ca 0.62 0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.70 2kpp s THR 4 Cb -0.01 -3.21 -0.18 0.00 0.01 0.00 0.00 72.50 69.12 2kpp s THR 4 CO 0.06 0.04 1.40 1.23 -0.69 0.00 0.00 174.62 176.67 2kpp h GLY 5 N 5.54 -0.12 -2.88 4.40 0.00 -1.97 -3.47 103.07 104.57 2kpp h GLY 5 Ca -0.45 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 2kpp h GLY 5 CO 0.83 -0.04 -0.28 -0.35 0.00 0.00 0.00 176.54 176.69 2kpp s ASP 6 N -5.37 0.02 -0.50 0.19 2.15 -1.26 -5.13 116.67 106.77 2kpp s ASP 6 Ca -0.15 -0.72 -0.21 0.00 0.43 0.00 0.00 52.55 51.90 2kpp s ASP 6 Cb 0.03 0.42 0.04 0.00 -0.30 0.00 0.00 42.92 43.11 2kpp s ASP 6 CO 0.64 -0.85 0.72 -1.61 -0.17 0.00 0.00 175.17 173.89 2kpp s GLU 7 N -3.91 3.23 0.19 4.34 2.02 -1.26 -4.81 118.70 118.49 2kpp s GLU 7 Ca 0.12 -0.55 0.11 0.00 0.02 0.00 0.00 54.97 54.67 2kpp s GLU 7 Cb 0.03 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 2kpp s GLU 7 CO -0.05 -1.23 -0.23 0.14 0.02 0.00 0.00 175.26 173.92 2kpp s VAL 8 N 3.05 2.26 0.09 2.63 -7.23 -1.26 -1.45 120.40 118.49 2kpp s VAL 8 Ca 0.22 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.48 2kpp s VAL 8 Cb -0.16 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2kpp s VAL 8 CO 0.16 -0.14 -0.25 0.68 -0.31 0.00 0.00 175.10 175.24 2kpp s VAL 9 N -1.71 2.04 -0.26 1.32 -7.23 0.15 -1.93 120.40 112.78 2kpp s VAL 9 Ca 0.20 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2kpp s VAL 9 Cb -0.08 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 2kpp s VAL 9 CO 0.09 0.16 0.04 0.00 -0.31 0.00 0.00 175.10 175.08 2kpp s ALA 10 N -0.96 3.01 -0.26 1.32 0.00 0.04 -0.86 121.76 124.05 2kpp s ALA 10 Ca 0.11 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 2kpp s ALA 10 Cb -0.10 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2kpp s ALA 10 CO 0.04 -0.67 0.16 0.42 0.00 0.00 0.00 175.76 175.71 2kpp s ILE 11 N 1.52 5.21 -0.31 0.00 -1.09 0.12 -0.94 121.20 125.71 2kpp s ILE 11 Ca 0.04 0.13 -0.07 0.00 -2.23 0.00 0.00 60.65 58.52 2kpp s ILE 11 Cb -0.16 -3.45 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2kpp s ILE 11 CO 0.01 0.31 0.10 -0.63 -1.23 0.00 0.00 174.94 173.50 2kpp s ILE 12 N 1.41 4.05 -0.06 2.92 1.09 0.10 -1.00 121.20 129.71 2kpp s ILE 12 Ca 0.07 -0.74 0.06 0.00 -1.10 0.00 0.00 60.65 58.94 2kpp s ILE 12 Cb -0.15 -3.13 -0.01 0.00 -1.06 0.00 0.00 42.46 38.11 2kpp s ILE 12 CO 0.07 0.02 -0.25 -0.44 -0.10 0.00 0.00 174.94 174.25 2kpp s SER 13 N 1.50 3.02 -0.03 3.58 0.01 0.31 -1.19 113.70 120.90 2kpp s SER 13 Ca 0.02 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 56.84 2kpp s SER 13 Cb -0.18 -0.87 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2kpp s SER 13 CO 0.03 0.23 -0.24 -1.58 0.41 0.00 0.00 173.24 172.09 2kpp s GLN 14 N -0.11 2.27 -1.59 12.44 0.74 0.74 -0.30 119.66 133.83 2kpp s GLN 14 Ca -0.05 -0.90 0.00 0.00 0.05 0.00 0.00 55.36 54.47 2kpp s GLN 14 Cb -0.14 -2.11 0.00 0.00 1.10 0.00 0.00 33.01 31.86 2kpp s GLN 14 CO 0.04 0.52 0.00 0.09 -0.55 0.00 0.00 175.29 175.39 2kpp n ASN 15 N 2.55 -5.58 0.00 6.67 3.02 -0.20 -1.44 115.26 120.28 2kpp n ASN 15 Ca -0.16 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2kpp n ASN 15 Cb 0.51 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 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 -0.01 0.72 3.21 7.41 0.00 -1.26 -5.07 105.19 110.18 2kpp n GLY 16 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.72 1.58 0.14 1.61 -2.85 -0.52 -5.09 119.74 113.90 2kpp s LYS 17 Ca 0.00 -0.72 -0.31 0.00 -1.00 0.00 0.00 55.97 53.94 2kpp s LYS 17 Cb 0.00 -1.54 -0.09 0.00 -2.06 0.00 0.00 37.83 34.13 2kpp s LYS 17 CO 0.00 0.42 1.55 0.08 0.10 0.00 0.00 175.35 177.50 2kpp s VAL 18 N -0.49 2.82 -0.08 1.79 1.01 -1.26 -0.19 120.40 124.01 2kpp s VAL 18 Ca 0.08 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2kpp s VAL 18 Cb -0.08 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 2kpp s VAL 18 CO -0.01 0.04 0.01 2.30 0.00 0.00 0.00 175.10 177.44 2kpp n ILE 19 N 4.09 0.51 -3.62 2.22 -5.35 -0.34 -4.87 119.36 112.01 2kpp n ILE 19 Ca 0.14 -0.29 -0.15 0.00 -0.27 0.00 0.00 62.75 62.17 2kpp n ILE 19 Cb 0.40 -0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 37.41 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 -2.18 0.85 -0.02 6.28 6.06 -0.85 -5.06 118.95 124.03 2kpp s ARG 20 Ca -0.05 0.52 0.00 0.00 -2.50 0.00 0.00 55.73 53.71 2kpp s ARG 20 Cb 0.02 0.41 0.02 0.00 0.06 0.00 0.00 34.95 35.46 2kpp s ARG 20 CO 0.29 -0.19 0.00 -1.83 -2.50 0.00 0.00 175.30 171.07 2kpp s GLU 21 N -0.43 0.18 -0.14 5.12 -1.05 -1.26 0.02 118.70 121.14 2kpp s GLU 21 Ca -0.06 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2kpp s GLU 21 Cb -0.03 -0.35 0.03 0.00 -0.44 0.00 0.00 34.13 33.34 2kpp s GLU 21 CO 0.05 -0.11 -0.11 0.42 0.95 0.00 0.00 175.26 176.46 2kpp s ILE 22 N 0.80 1.38 -0.55 1.83 1.09 -0.12 -4.99 121.20 120.64 2kpp s ILE 22 Ca -0.08 -0.55 -0.27 0.00 -1.10 0.00 0.00 60.65 58.66 2kpp s ILE 22 Cb -0.11 -1.35 -0.03 0.00 -1.06 0.00 0.00 42.46 39.92 2kpp s ILE 22 CO -0.02 0.39 1.92 -2.16 -0.10 0.00 0.00 174.94 174.98 2kpp s PRO 23 N 1.56 2.67 0.03 2.79 0.04 -1.26 -0.78 135.00 140.05 2kpp s PRO 23 Ca 0.04 0.84 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 2kpp s PRO 23 Cb -0.13 -4.38 -0.14 0.00 0.04 0.00 0.00 34.50 29.89 2kpp s PRO 23 CO -0.10 -2.66 1.28 -0.07 0.04 0.00 0.00 177.00 175.49 2kpp h LEU 24 N 16.40 -0.78 -9.64 -3.56 3.38 -1.73 -3.34 115.31 116.04 2kpp h LEU 24 Ca -0.27 0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.19 2kpp h LEU 24 Cb 1.18 0.20 0.07 0.00 0.09 0.00 0.00 40.66 42.19 2kpp h LEU 24 CO 1.18 -0.52 0.92 0.41 0.09 0.00 0.00 178.44 180.52 2kpp n THR 25 N -4.71 0.24 0.00 0.22 -1.04 -1.12 -1.05 114.28 106.82 2kpp n THR 25 Ca -0.11 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2kpp n THR 25 Cb 0.36 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 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 3.43 2.61 3.57 3.41 0.00 -1.26 -4.88 105.19 112.06 2kpp n GLY 26 Ca 0.15 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.37 2.20 0.63 1.61 5.04 -0.21 -4.96 115.29 118.23 2kpp s HIS 27 Ca 0.00 -0.18 -0.05 0.00 -1.54 0.00 0.00 55.06 53.29 2kpp s HIS 27 Cb 0.00 -4.32 0.03 0.00 0.04 0.00 0.00 32.58 28.33 2kpp s HIS 27 CO 0.00 -1.66 0.93 -1.59 -2.34 0.00 0.00 174.74 170.08 2kpp s LYS 28 N 5.87 2.56 1.93 2.88 -2.85 -1.26 -1.43 119.74 127.44 2kpp s LYS 28 Ca 0.61 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 2kpp s LYS 28 Cb -0.02 -2.25 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 2kpp s LYS 28 CO 0.02 -0.93 0.00 0.41 0.10 0.00 0.00 175.35 174.95 2kpp n GLY 29 N -2.70 -1.29 3.42 0.59 0.00 -1.26 -4.66 105.19 99.29 2kpp n GLY 29 Ca 0.06 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 3.58 -0.30 1.61 3.04 -1.26 0.44 114.94 118.05 2kpp s ASN 30 Ca 0.00 -0.54 -0.08 0.00 0.04 0.00 0.00 52.86 52.28 2kpp s ASN 30 Cb 0.00 -0.45 0.15 0.00 -1.54 0.00 0.00 41.25 39.41 2kpp s ASN 30 CO 0.00 0.23 0.67 -0.70 -3.04 0.00 0.00 177.10 174.27 2kpp s GLU 31 N -1.61 0.54 0.04 0.43 2.12 0.84 -4.99 118.70 116.08 2kpp s GLU 31 Ca 0.14 1.24 0.06 0.00 0.36 0.00 0.00 54.97 56.78 2kpp s GLU 31 Cb -0.10 0.73 -0.03 0.00 0.26 0.00 0.00 34.13 34.99 2kpp s GLU 31 CO 0.05 -0.31 -0.13 -0.65 -0.54 0.00 0.00 175.26 173.69 2kpp s GLN 32 N 2.85 2.22 -0.00 4.30 -0.21 -1.26 -1.08 119.66 126.48 2kpp s GLN 32 Ca 0.02 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.49 2kpp s GLN 32 Cb -0.12 -2.31 -0.00 0.00 1.00 0.00 0.00 33.01 31.58 2kpp s GLN 32 CO -0.19 0.55 -0.02 -0.59 -2.12 0.00 0.00 175.29 172.92 2kpp s PHE 33 N -1.01 0.21 -0.27 0.91 -0.71 -0.72 -5.01 117.98 111.38 2kpp s PHE 33 Ca 0.17 -0.04 -0.12 0.00 -1.04 0.00 0.00 56.93 55.90 2kpp s PHE 33 Cb -0.11 -0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2kpp s PHE 33 CO 0.08 -0.00 0.23 0.99 -1.34 0.00 0.00 175.22 175.17 2kpp s THR 34 N -0.05 5.29 -0.21 -4.49 2.01 -1.26 -2.00 115.64 114.92 2kpp s THR 34 Ca 0.01 0.28 -0.19 0.00 0.31 0.00 0.00 61.69 62.10 2kpp s THR 34 Cb -0.01 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2kpp s THR 34 CO -0.00 0.25 0.53 -0.63 -0.69 0.00 0.00 174.62 174.08 2kpp s ILE 35 N 1.67 5.09 -0.23 1.82 1.01 0.27 -4.93 121.20 125.89 2kpp s ILE 35 Ca 0.09 0.96 -0.09 0.00 0.00 0.00 0.00 60.65 61.62 2kpp s ILE 35 Cb -0.15 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2kpp s ILE 35 CO 0.09 0.15 0.11 -0.54 0.00 0.00 0.00 174.94 174.75 2kpp s LYS 36 N 1.78 3.90 0.00 2.79 1.02 -1.26 -1.11 119.74 126.86 2kpp s LYS 36 Ca 0.24 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2kpp s LYS 36 Cb -0.15 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2kpp s LYS 36 CO 0.09 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 2kpp n GLY 37 N 4.35 5.23 3.58 -3.33 0.00 0.65 -5.02 105.19 110.65 2kpp n GLY 37 Ca -0.16 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 4.03 2.81 7.38 1.61 2.47 -1.26 -4.59 119.74 132.19 2kpp s LYS 38 Ca 0.00 1.76 0.00 0.00 -1.56 0.00 0.00 55.97 56.17 2kpp s LYS 38 Cb 0.00 -4.43 0.00 0.00 -1.46 0.00 0.00 37.83 31.94 2kpp s LYS 38 CO 0.00 -2.47 0.00 0.41 0.16 0.00 0.00 175.35 173.45 2kpp n GLY 39 N 5.82 2.91 0.92 5.54 0.00 -1.26 -2.32 105.19 116.80 2kpp n GLY 39 Ca 0.31 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 10.63 2.45 -2.37 4.61 0.00 -1.26 -4.90 120.51 129.67 2kpp n ALA 40 Ca 0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 2kpp n ALA 40 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.50 3.65 0.27 0.00 -0.21 -0.98 -4.96 119.66 115.92 2kpp s GLN 41 Ca 0.36 0.99 0.06 0.00 0.02 0.00 0.00 55.36 56.78 2kpp s GLN 41 Cb 0.20 -3.99 -0.06 0.00 1.00 0.00 0.00 33.01 30.16 2kpp s GLN 41 CO 0.27 -1.47 -0.05 1.52 -2.12 0.00 0.00 175.29 173.44 2kpp s TYR 42 N 5.20 1.84 -0.03 0.91 1.13 -1.26 -0.25 117.35 124.89 2kpp s TYR 42 Ca 0.60 -0.75 -0.01 0.00 -1.41 0.00 0.00 57.07 55.49 2kpp s TYR 42 Cb -0.14 -1.05 0.03 0.00 -1.10 0.00 0.00 41.96 39.69 2kpp s TYR 42 CO 0.31 0.20 0.05 -0.80 -2.51 0.00 0.00 175.55 172.80 2kpp s ASN 43 N -3.40 0.76 -0.51 -0.18 -0.87 -0.27 -3.81 114.94 106.65 2kpp s ASN 43 Ca 0.29 0.07 -0.18 0.00 -1.57 0.00 0.00 52.86 51.47 2kpp s ASN 43 Cb 0.04 -0.11 0.07 0.00 -0.02 0.00 0.00 41.25 41.24 2kpp s ASN 43 CO 0.11 -0.21 0.55 -0.22 -2.57 0.00 0.00 177.10 174.76 2kpp s LEU 44 N 1.78 5.34 -0.16 0.60 2.96 0.62 -0.57 118.68 129.26 2kpp s LEU 44 Ca 0.00 -1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 52.56 2kpp s LEU 44 Cb -0.12 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 2kpp s LEU 44 CO -0.03 -0.84 0.38 -0.04 -1.32 0.00 0.00 176.35 174.50 2kpp s MET 45 N 2.23 4.26 -0.22 1.98 -1.94 -0.85 -0.60 119.30 124.17 2kpp s MET 45 Ca 0.10 0.23 -0.02 0.00 -1.71 0.00 0.00 55.69 54.29 2kpp s MET 45 Cb -0.22 -3.46 0.01 0.00 2.01 0.00 0.00 34.83 33.17 2kpp s MET 45 CO 0.09 0.14 -0.09 -2.00 -0.01 0.00 0.00 175.02 173.14 2kpp s GLU 46 N 0.74 3.13 -0.33 2.03 2.12 0.04 -1.75 118.70 124.67 2kpp s GLU 46 Ca 0.20 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 2kpp s GLU 46 Cb -0.14 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2kpp s GLU 46 CO 0.07 -0.25 0.17 0.08 -0.54 0.00 0.00 175.26 174.79 2kpp s VAL 47 N 1.39 4.65 -0.38 3.70 1.01 -0.25 -1.54 120.40 128.98 2kpp s VAL 47 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2kpp s VAL 47 Cb -0.14 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 32.94 2kpp s VAL 47 CO -0.06 -0.01 0.20 -0.62 0.00 0.00 0.00 175.10 174.60 2kpp s ASP 48 N 1.61 3.52 -0.25 3.32 2.15 -0.42 -0.11 116.67 126.49 2kpp s ASP 48 Ca 0.04 -2.23 -0.00 0.00 0.43 0.00 0.00 52.55 50.79 2kpp s ASP 48 Cb -0.18 -0.78 -0.00 0.00 -0.30 0.00 0.00 42.92 41.66 2kpp s ASP 48 CO 0.07 -0.32 0.23 0.61 -0.17 0.00 0.00 175.17 175.59 2kpp n GLY 49 N 4.04 -0.40 2.45 2.66 0.00 0.17 -4.12 105.19 110.00 2kpp n GLY 49 Ca 0.07 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.42 -1.56 -3.77 1.61 1.02 -0.51 -4.95 120.64 111.05 2kpp n GLU 50 Ca -0.00 1.06 -0.13 0.00 -0.02 0.00 0.00 57.16 58.07 2kpp n GLU 50 Cb 0.51 -5.61 -0.09 0.00 -0.02 0.00 0.00 31.44 26.24 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 -4.61 0.67 0.06 3.49 1.70 -1.26 -4.54 118.95 114.46 2kpp s ARG 51 Ca 0.00 -0.25 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 2kpp s ARG 51 Cb 0.00 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 2kpp s ARG 51 CO 0.00 -0.19 -0.09 -1.50 -1.08 0.00 0.00 175.30 172.44 2kpp s ILE 52 N -1.50 0.71 0.25 4.99 2.07 -0.70 -1.30 121.20 125.73 2kpp s ILE 52 Ca -0.12 -1.29 -0.18 0.00 -1.41 0.00 0.00 60.65 57.64 2kpp s ILE 52 Cb -0.05 -0.91 0.02 0.00 0.13 0.00 0.00 42.46 41.65 2kpp s ILE 52 CO 0.03 -0.43 0.62 0.00 -1.91 0.00 0.00 174.94 173.25 2kpp s ARG 53 N -2.02 1.62 -0.44 3.50 1.70 -0.59 -0.97 118.95 121.76 2kpp s ARG 53 Ca -0.04 -1.00 -0.20 0.00 -0.47 0.00 0.00 55.73 54.02 2kpp s ARG 53 Cb -0.07 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 2kpp s ARG 53 CO 0.00 -0.72 0.62 0.42 -1.08 0.00 0.00 175.30 174.55 2kpp s ILE 54 N -3.93 4.85 -0.06 4.99 1.01 -1.26 -0.78 121.20 126.03 2kpp s ILE 54 Ca 0.13 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 2kpp s ILE 54 Cb -0.03 -4.19 -0.29 0.00 0.01 0.00 0.00 42.46 37.95 2kpp s ILE 54 CO 0.04 -0.58 0.63 0.50 0.00 0.00 0.00 174.94 175.54 2kpp h LYS 55 N 8.86 0.34 -4.07 2.79 3.64 -1.19 -3.35 116.57 123.59 2kpp h LYS 55 Ca -0.25 -0.58 -0.22 0.00 -1.27 0.00 0.00 60.65 58.33 2kpp h LYS 55 Cb 1.10 0.22 -0.23 0.00 -0.41 0.00 0.00 32.23 32.90 2kpp h LYS 55 CO 0.88 1.25 -0.72 -2.00 -2.27 0.00 0.00 179.45 176.60 2kpp s GLU 56 N -2.58 0.30 -0.28 1.90 2.56 -1.16 -4.93 118.70 114.50 2kpp s GLU 56 Ca -0.16 -0.47 -0.25 0.00 0.00 0.00 0.00 54.97 54.09 2kpp s GLU 56 Cb 0.06 -0.04 0.13 0.00 2.00 0.00 0.00 34.13 36.28 2kpp s GLU 56 CO 0.84 -0.01 1.05 0.34 -0.56 0.00 0.00 175.26 176.92 2kpp s ASP 57 N -1.05 -0.43 -0.51 -1.70 -1.08 -1.26 -0.27 116.67 110.36 2kpp s ASP 57 Ca -0.10 0.83 0.02 0.00 -0.52 0.00 0.00 52.55 52.78 2kpp s ASP 57 Cb -0.07 0.84 0.48 0.00 -1.46 0.00 0.00 42.92 42.71 2kpp s ASP 57 CO -0.00 -0.15 1.75 -0.46 0.52 0.00 0.00 175.17 176.82 2kpp n ASN 58 N 2.16 6.06 -4.77 -0.34 6.94 -1.25 -4.92 115.26 119.14 2kpp n ASN 58 Ca -0.12 -3.76 -0.40 0.00 -0.02 0.00 0.00 54.58 50.28 2kpp n ASN 58 Cb 0.56 -0.76 -0.06 0.00 -2.36 0.00 0.00 39.78 37.16 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2kpp s SER 59 N -2.32 7.35 0.59 0.53 0.01 -1.26 -4.95 113.70 113.65 2kpp s SER 59 Ca 0.58 1.60 0.28 0.00 1.31 0.00 0.00 55.95 59.73 2kpp s SER 59 Cb 0.47 -2.50 1.68 0.00 0.21 0.00 0.00 66.02 65.88 2kpp s SER 59 CO 0.02 0.15 2.13 1.55 0.41 0.00 0.00 173.24 177.50 2kpp h PRO 60 N 4.69 0.00 0.05 12.44 0.13 -1.99 -1.02 132.00 146.30 2kpp h PRO 60 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 2kpp h PRO 60 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2kpp h PRO 60 CO 0.67 0.00 -1.41 -0.44 -0.23 0.00 0.00 178.00 176.60 2kpp h ASP 61 N 0.00 0.16 -0.36 1.44 3.32 -1.99 -3.48 116.42 115.51 2kpp h ASP 61 Ca 0.07 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.75 2kpp h ASP 61 Cb 0.37 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 2kpp h ASP 61 CO -0.00 1.19 -0.13 0.00 -1.72 0.00 0.00 179.24 178.57 2kpp n GLN 62 N -3.31 -1.81 -0.32 3.56 1.13 -0.39 -4.85 117.38 111.39 2kpp n GLN 62 Ca -0.11 0.74 0.03 0.00 -1.94 0.00 0.00 57.00 55.72 2kpp n GLN 62 Cb 1.01 -5.17 0.17 0.00 0.11 0.00 0.00 30.24 26.36 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 0.99 -0.85 5.09 2.07 -1.93 -2.47 116.25 119.15 2kpp h VAL 63 Ca -0.15 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.19 2kpp h VAL 63 Cb 1.10 -0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 2kpp h VAL 63 CO 0.21 0.17 0.44 1.23 0.02 0.00 0.00 177.57 179.65 2kpp h GLY 64 N 0.96 1.38 1.68 2.17 0.00 -1.88 0.33 103.07 107.71 2kpp h GLY 64 Ca 0.41 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 2kpp h GLY 64 CO -0.21 -0.02 -0.38 -2.08 0.00 0.00 0.00 176.54 173.84 2kpp h VAL 65 N 0.64 1.30 0.00 4.60 2.07 -1.58 -3.09 116.25 120.19 2kpp h VAL 65 Ca 0.46 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 2kpp h VAL 65 Cb 0.63 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2kpp h VAL 65 CO -0.35 0.46 -0.53 0.11 0.02 0.00 0.00 177.57 177.27 2kpp h LYS 66 N 0.30 0.00 -0.54 1.57 6.56 -0.88 -3.30 116.57 120.27 2kpp h LYS 66 Ca 0.03 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.72 2kpp h LYS 66 Cb 0.81 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.40 2kpp h LYS 66 CO 0.07 0.53 0.11 0.52 -2.06 0.00 0.00 179.45 178.62 2kpp h MET 67 N 0.00 0.24 0.00 3.15 2.86 -1.08 -3.48 114.93 116.61 2kpp h MET 67 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2kpp h MET 67 Cb 1.07 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2kpp h MET 67 CO 0.07 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.61 2kpp n GLY 68 N -1.30 -1.82 3.75 8.32 0.00 -1.24 -4.97 105.19 107.93 2kpp n GLY 68 Ca 0.07 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 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 3.71 0.06 1.61 0.52 -1.26 -4.54 118.94 119.04 2kpp s TRP 69 Ca 0.00 1.75 0.07 0.00 0.02 0.00 0.00 56.10 57.94 2kpp s TRP 69 Cb 0.00 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2kpp s TRP 69 CO 0.00 -0.23 -0.18 0.15 0.02 0.00 0.00 176.95 176.71 2kpp s LYS 70 N -1.09 1.16 0.00 4.98 -0.14 -0.15 -4.99 119.74 119.51 2kpp s LYS 70 Ca 0.44 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 54.12 2kpp s LYS 70 Cb -0.29 -1.27 0.00 0.00 -1.68 0.00 0.00 37.83 34.58 2kpp s LYS 70 CO 0.37 0.31 0.32 -1.13 -0.76 0.00 0.00 175.35 174.46 2kpp n SER 71 N 1.66 -0.25 -4.25 2.83 3.41 -1.26 -1.71 113.62 114.04 2kpp n SER 71 Ca -0.18 -0.64 -0.25 0.00 -0.26 0.00 0.00 58.87 57.54 2kpp n SER 71 Cb 0.54 0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 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 1.28 -0.60 4.33 -0.14 -1.26 -4.98 119.74 118.36 2kpp s LYS 72 Ca 0.00 -0.99 -0.26 0.00 -1.36 0.00 0.00 55.97 53.36 2kpp s LYS 72 Cb 0.00 -1.43 -0.09 0.00 -1.68 0.00 0.00 37.83 34.64 2kpp s LYS 72 CO 0.00 0.35 2.36 0.00 -0.76 0.00 0.00 175.35 177.30 2kpp s ALA 73 N -0.91 1.37 0.00 5.17 0.00 -1.26 -1.46 121.76 124.68 2kpp s ALA 73 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2kpp s ALA 73 Cb -0.09 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.61 2kpp s ALA 73 CO 0.02 -4.89 0.00 0.41 0.00 0.00 0.00 175.76 171.30 2kpp n GLY 74 N 6.26 1.10 3.66 0.00 0.00 0.44 -4.90 105.19 111.75 2kpp n GLY 74 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.19 6.57 0.01 1.61 1.01 -0.53 -4.81 116.67 120.34 2kpp s ASP 75 Ca 0.00 2.43 0.05 0.00 0.71 0.00 0.00 52.55 55.74 2kpp s ASP 75 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 2kpp s ASP 75 CO 0.00 -0.98 -0.15 0.42 0.21 0.00 0.00 175.17 174.67 2kpp s THR 76 N 4.18 1.16 -0.11 -1.27 -4.23 -1.26 -0.56 115.64 113.55 2kpp s THR 76 Ca 0.80 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 2kpp s THR 76 Cb -0.38 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.48 2kpp s THR 76 CO 0.35 0.23 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.83 2kpp s ILE 77 N -0.51 1.79 -0.19 2.99 -1.09 0.39 -4.97 121.20 119.61 2kpp s ILE 77 Ca 0.05 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 2kpp s ILE 77 Cb -0.06 -1.58 0.02 0.00 -1.58 0.00 0.00 42.46 39.26 2kpp s ILE 77 CO 0.00 0.50 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.33 2kpp s VAL 78 N 0.66 2.11 -0.59 2.92 1.01 -1.26 -0.90 120.40 124.35 2kpp s VAL 78 Ca -0.12 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2kpp s VAL 78 Cb -0.16 -1.91 0.15 0.00 0.00 0.00 0.00 36.38 34.45 2kpp s VAL 78 CO 0.03 0.50 0.37 0.00 0.00 0.00 0.00 175.10 175.99 2kpp h LEU 80 N 6.44 -0.36 -1.55 0.00 3.38 -1.95 0.71 115.31 121.99 2kpp h LEU 80 Ca -0.02 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.28 2kpp h LEU 80 Cb 0.88 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 2kpp h LEU 80 CO 0.71 -0.14 0.65 -0.65 0.09 0.00 0.00 178.44 179.10 2kpp h PRO 81 N -0.08 0.31 -0.02 1.13 0.11 -1.97 0.86 132.00 132.35 2kpp h PRO 81 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2kpp h PRO 81 Cb 0.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2kpp h PRO 81 CO -0.27 0.21 -0.32 0.72 -0.21 0.00 0.00 178.00 178.12 2kpp n HIS 82 N -4.50 0.00 -2.88 0.65 8.25 -1.00 -4.99 115.22 110.75 2kpp n HIS 82 Ca 0.22 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.46 2kpp n HIS 82 Cb 0.84 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.98 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 0.13 -4.19 -3.86 -0.41 5.02 0.29 -4.75 118.16 110.39 2kpp n LYS 83 Ca 0.08 0.94 -0.35 0.00 -2.02 0.00 0.00 58.31 56.96 2kpp n LYS 83 Cb 0.41 -5.76 -0.08 0.00 -0.02 0.00 0.00 35.03 29.58 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 -3.15 5.25 -0.08 -0.18 1.01 -0.93 -1.03 120.40 121.29 2kpp s VAL 84 Ca 0.24 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2kpp s VAL 84 Cb -0.10 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2kpp s VAL 84 CO 0.29 0.50 -0.08 0.12 0.00 0.00 0.00 175.10 175.93 2kpp s PHE 85 N -0.07 1.27 -0.16 5.22 5.36 0.58 -1.17 117.98 129.01 2kpp s PHE 85 Ca 0.09 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 2kpp s PHE 85 Cb -0.12 -1.03 0.01 0.00 -0.34 0.00 0.00 43.02 41.54 2kpp s PHE 85 CO 0.00 -0.35 -0.18 0.08 -1.46 0.00 0.00 175.22 173.31 2kpp s VAL 86 N 1.18 2.36 -0.16 3.12 1.01 -0.08 -0.53 120.40 127.31 2kpp s VAL 86 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2kpp s VAL 86 Cb -0.14 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2kpp s VAL 86 CO -0.02 0.53 -0.20 -1.83 0.00 0.00 0.00 175.10 173.58 2kpp s GLU 87 N 0.93 2.86 -0.30 2.72 -1.05 -0.17 -0.46 118.70 123.23 2kpp s GLU 87 Ca -0.04 -0.79 -0.14 0.00 -0.15 0.00 0.00 54.97 53.85 2kpp s GLU 87 Cb -0.15 -2.42 -0.03 0.00 -0.44 0.00 0.00 34.13 31.09 2kpp s GLU 87 CO -0.03 -0.13 0.33 0.42 0.95 0.00 0.00 175.26 176.80 2kpp s ILE 88 N 1.12 5.20 0.08 1.83 1.01 0.28 -0.70 121.20 130.02 2kpp s ILE 88 Ca -0.00 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.00 2kpp s ILE 88 Cb -0.14 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2kpp s ILE 88 CO -0.08 0.08 -0.16 -1.59 0.00 0.00 0.00 174.94 173.19 2kpp s LYS 89 N 1.99 0.89 0.47 2.79 -2.85 -0.04 -0.42 119.74 122.57 2kpp s LYS 89 Ca 0.12 -1.01 -0.20 0.00 -1.00 0.00 0.00 55.97 53.88 2kpp s LYS 89 Cb -0.16 -0.94 -0.09 0.00 -2.06 0.00 0.00 37.83 34.58 2kpp s LYS 89 CO 0.11 0.21 1.00 0.45 0.10 0.00 0.00 175.35 177.22 2kpp s SER 90 N -1.80 6.60 0.00 0.03 0.15 -1.26 -0.68 113.70 116.74 2kpp s SER 90 Ca 0.00 1.79 0.30 0.00 0.70 0.00 0.00 55.95 58.74 2kpp s SER 90 Cb -0.10 -2.55 1.44 0.00 -1.71 0.00 0.00 66.02 63.11 2kpp s SER 90 CO 0.03 -0.60 1.97 0.35 1.20 0.00 0.00 173.24 176.18 2kpp n THR 91 N -0.91 0.00 -2.28 6.45 -2.24 -0.53 -4.87 114.28 109.90 2kpp n THR 91 Ca 0.08 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.53 2kpp n THR 91 Cb 0.53 0.02 0.12 0.00 -2.10 0.00 0.00 70.33 68.90 2kpp n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kpp n GLN 92 N -0.39 -0.31 -4.16 -0.78 6.02 -1.26 -5.11 117.38 111.38 2kpp n GLN 92 Ca 0.21 -2.02 -0.16 0.00 -0.01 0.00 0.00 57.00 55.03 2kpp n GLN 92 Cb 0.23 -0.71 -0.13 0.00 1.02 0.00 0.00 30.24 30.65 2kpp n GLN 92 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kpp s LYS 93 N -4.82 0.59 -0.09 -1.09 -2.85 -1.26 -5.15 119.74 105.07 2kpp s LYS 93 Ca 0.56 -0.57 -0.03 0.00 -1.00 0.00 0.00 55.97 54.93 2kpp s LYS 93 Cb -0.03 -0.48 0.05 0.00 -2.06 0.00 0.00 37.83 35.31 2kpp s LYS 93 CO 0.38 0.11 0.14 0.34 0.10 0.00 0.00 175.35 176.41 2kpp s ASP 94 N -0.99 0.96 -0.36 0.03 2.15 -1.26 -5.10 116.67 112.10 2kpp s ASP 94 Ca -0.03 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.14 2kpp s ASP 94 Cb -0.07 0.16 0.12 0.00 -0.30 0.00 0.00 42.92 42.83 2kpp s ASP 94 CO 0.00 -0.26 0.16 -0.55 -0.17 0.00 0.00 175.17 174.36 2kpp s SER 95 N 2.26 3.80 -0.57 -0.34 0.15 -1.26 -5.08 113.70 112.67 2kpp s SER 95 Ca 0.04 -2.05 -0.12 0.00 0.70 0.00 0.00 55.95 54.52 2kpp s SER 95 Cb -0.12 -0.89 0.14 0.00 -1.71 0.00 0.00 66.02 63.44 2kpp s SER 95 CO -0.06 -0.35 0.48 -1.59 1.20 0.00 0.00 173.24 172.92 2kpp s LYS 96 N 1.11 2.85 0.40 5.44 -2.85 -1.26 -5.07 119.74 120.36 2kpp s LYS 96 Ca 0.13 -1.92 -0.26 0.00 -1.00 0.00 0.00 55.97 52.93 2kpp s LYS 96 Cb -0.20 -4.13 -0.09 0.00 -2.06 0.00 0.00 37.83 31.35 2kpp s LYS 96 CO -0.13 -1.26 1.26 -0.51 0.10 0.00 0.00 175.35 174.81 2kpp s ASP 97 N 2.78 6.42 0.13 0.03 1.01 -1.26 -4.96 116.67 120.81 2kpp s ASP 97 Ca 0.08 2.55 -0.19 0.00 0.71 0.00 0.00 52.55 55.70 2kpp s ASP 97 Cb -0.24 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.00 2kpp s ASP 97 CO -0.01 -0.77 1.77 -0.65 0.21 0.00 0.00 175.17 175.72 2kpp h PRO 98 N 2.73 0.25 0.00 8.23 0.11 -1.98 -3.42 132.00 137.91 2kpp h PRO 98 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kpp h PRO 98 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kpp h PRO 98 CO 0.63 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 2kpp n ASP 99 N -4.97 0.00 0.00 -2.05 5.68 -1.26 -5.09 116.55 108.85 2kpp n ASP 99 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2kpp n ASP 99 Cb 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2kpp n ASP 99 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2kpp n THR 100 N 0.00 0.00 -2.29 2.12 5.66 -1.26 -5.17 114.28 113.35 2kpp n THR 100 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 2kpp n THR 100 Cb 0.00 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 68.94 2kpp n THR 100 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2kpp s ASP 101 N 0.00 3.54 0.07 1.09 -4.77 -1.26 -5.08 116.67 110.25 2kpp s ASP 101 Ca 0.00 -0.17 -0.02 0.00 -3.30 0.00 0.00 52.55 49.06 2kpp s ASP 101 Cb 0.00 0.05 0.01 0.00 -1.09 0.00 0.00 42.92 41.89 2kpp s ASP 101 CO 0.00 -2.43 0.12 0.00 0.70 0.00 0.00 175.17 173.56 2kpp n LEU 102 N -3.36 0.00 -4.57 2.11 -0.00 -1.26 -5.10 117.00 104.83 2kpp n LEU 102 Ca 0.17 -0.46 -0.40 0.00 -0.00 0.00 0.00 56.01 55.32 2kpp n LEU 102 Cb 0.60 0.59 -0.10 0.00 -0.00 0.00 0.00 43.42 44.52 2kpp n LEU 102 CO 0.42 -0.14 0.01 -0.63 -0.00 0.00 0.00 177.39 177.06 2kpp s ILE 103 N -2.74 5.19 0.21 1.47 1.01 -1.26 -5.06 121.20 120.02 2kpp s ILE 103 Ca 0.03 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 2kpp s ILE 103 Cb -0.01 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 2kpp s ILE 103 CO 0.03 0.02 1.45 0.54 0.00 0.00 0.00 174.94 176.98 2kpp s VAL 104 N 1.99 2.77 1.26 2.92 0.11 -1.26 -5.01 120.40 123.19 2kpp s VAL 104 Ca 0.12 0.61 -0.16 0.00 -2.93 0.00 0.00 61.98 59.62 2kpp s VAL 104 Cb -0.16 -3.39 0.31 0.00 -1.53 0.00 0.00 36.38 31.60 2kpp s VAL 104 CO 0.11 0.08 0.87 -2.65 -3.33 0.00 0.00 175.10 170.18 2kpp n PRO 105 N 2.88 -3.11 -0.10 1.54 -0.02 -1.26 -5.02 135.00 129.90 2kpp n PRO 105 Ca 0.09 -0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 60.54 2kpp n PRO 105 Cb 0.40 -2.04 0.13 0.00 -0.02 0.00 0.00 33.50 31.97 2kpp n PRO 105 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2kpp n ASN 106 N -4.85 -2.93 -4.54 2.55 2.04 -1.26 -4.76 115.26 101.51 2kpp n ASN 106 Ca 0.05 -0.38 -0.36 0.00 -0.44 0.00 0.00 54.58 53.44 2kpp n ASN 106 Cb 0.56 -0.44 -0.05 0.00 -2.53 0.00 0.00 39.78 37.32 2kpp n ASN 106 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2kpp n LEU 107 N 0.00 2.01 -4.82 -4.53 4.77 -1.26 -4.94 117.00 108.23 2kpp n LEU 107 Ca 0.06 -0.43 -0.35 0.00 -0.03 0.00 0.00 56.01 55.26 2kpp n LEU 107 Cb 0.26 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.80 2kpp n LEU 107 CO 0.17 -1.48 0.46 -1.61 -1.33 0.00 0.00 177.39 173.60 2kpp s GLU 108 N 8.41 4.19 0.12 3.23 2.02 -1.26 -5.00 118.70 130.41 2kpp s GLU 108 Ca 1.03 0.86 0.24 0.00 0.02 0.00 0.00 54.97 57.12 2kpp s GLU 108 Cb -0.33 -2.66 0.21 0.00 0.10 0.00 0.00 34.13 31.45 2kpp s GLU 108 CO 0.29 0.27 1.19 0.72 0.02 0.00 0.00 175.26 177.76 2kpp n HIS 109 N 0.23 0.57 -2.07 1.61 8.25 -1.26 -4.82 115.22 117.72 2kpp n HIS 109 Ca 0.01 0.16 -0.40 0.00 -0.26 0.00 0.00 57.72 57.23 2kpp n HIS 109 Cb 0.52 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 2kpp n HIS 109 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kpp s HIS 110 N -3.21 1.79 -0.71 4.41 -3.43 -1.26 -4.94 115.29 107.94 2kpp s HIS 110 Ca 0.04 0.71 -0.23 0.00 -0.80 0.00 0.00 55.06 54.79 2kpp s HIS 110 Cb 0.13 -4.14 0.07 0.00 -1.43 0.00 0.00 32.58 27.21 2kpp s HIS 110 CO 0.75 -2.44 1.05 -1.01 -2.00 0.00 0.00 174.74 171.10 2kpp s HIS 111 N 8.05 2.64 -0.12 0.38 3.76 -1.26 -4.99 115.29 123.75 2kpp s HIS 111 Ca 0.69 -0.56 -0.33 0.00 -0.15 0.00 0.00 55.06 54.71 2kpp s HIS 111 Cb -0.15 -4.36 -0.11 0.00 1.11 0.00 0.00 32.58 29.07 2kpp s HIS 111 CO 0.25 -1.72 1.95 1.58 -0.85 0.00 0.00 174.74 175.95 2kpp n HIS 112 N 7.93 2.25 -1.72 1.40 -0.00 -1.26 -4.92 115.22 118.90 2kpp n HIS 112 Ca 0.01 -0.02 -0.39 0.00 -0.00 0.00 0.00 57.72 57.32 2kpp n HIS 112 Cb 0.47 -2.67 0.04 0.00 -0.00 0.00 0.00 29.99 27.82 2kpp n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kpp n HIS 113 N 7.47 2.07 1.04 1.57 8.25 -1.26 -5.32 115.22 129.04 2kpp n HIS 113 Ca 0.25 0.44 0.12 0.00 -0.26 0.00 0.00 57.72 58.27 2kpp n HIS 113 Cb 0.31 -2.33 0.14 0.00 1.12 0.00 0.00 29.99 29.22 2kpp n HIS 113 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70