#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 0.95 -0.04 0.03 -2.85 -1.26 -5.15 119.74 111.43 2kpp s LYS 2 Ca 0.00 -0.74 0.07 0.00 -1.00 0.00 0.00 55.97 54.29 2kpp s LYS 2 Cb 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 37.83 35.72 2kpp s LYS 2 CO 0.00 -1.27 -0.24 1.21 0.10 0.00 0.00 175.35 175.16 2kpp s ASN 3 N 1.28 3.24 -0.04 0.03 3.04 -1.26 -5.13 114.94 116.10 2kpp s ASN 3 Ca 0.24 -0.43 0.01 0.00 0.04 0.00 0.00 52.86 52.72 2kpp s ASN 3 Cb -0.02 -0.56 0.02 0.00 -1.54 0.00 0.00 41.25 39.16 2kpp s ASN 3 CO -0.06 0.31 -0.03 0.42 -3.04 0.00 0.00 177.10 174.69 2kpp s THR 4 N -0.52 0.46 -0.54 -5.21 -4.23 -1.26 -5.01 115.64 99.34 2kpp s THR 4 Ca 0.07 -0.08 0.22 0.00 -1.18 0.00 0.00 61.69 60.73 2kpp s THR 4 Cb -0.11 -0.50 -0.17 0.00 1.34 0.00 0.00 72.50 73.06 2kpp s THR 4 CO 0.00 0.21 0.90 0.61 -0.54 0.00 0.00 174.62 175.80 2kpp n GLY 5 N 4.06 -1.15 2.63 3.99 0.00 -1.26 -4.67 105.19 108.80 2kpp n GLY 5 Ca -0.25 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 2kpp n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpp n ASP 6 N -1.99 5.45 -4.59 1.61 9.92 -1.26 -4.88 116.55 120.81 2kpp n ASP 6 Ca 0.01 -2.65 -0.41 0.00 -0.53 0.00 0.00 54.79 51.21 2kpp n ASP 6 Cb 0.45 -1.46 -0.07 0.00 -0.64 0.00 0.00 41.12 39.40 2kpp n ASP 6 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kpp s GLU 7 N 3.17 3.82 0.05 -1.24 2.02 -1.26 -4.83 118.70 120.43 2kpp s GLU 7 Ca 0.55 0.10 0.08 0.00 0.02 0.00 0.00 54.97 55.72 2kpp s GLU 7 Cb 0.15 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 2kpp s GLU 7 CO -0.04 -0.55 -0.23 0.14 0.02 0.00 0.00 175.26 174.60 2kpp s VAL 8 N 2.44 1.87 0.08 2.63 -7.23 -1.26 -0.63 120.40 118.30 2kpp s VAL 8 Ca 0.21 -1.31 0.10 0.00 -1.81 0.00 0.00 61.98 59.17 2kpp s VAL 8 Cb -0.15 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 2kpp s VAL 8 CO 0.12 0.25 -0.26 0.68 -0.31 0.00 0.00 175.10 175.58 2kpp s VAL 9 N -0.83 2.11 -0.37 1.32 -7.23 0.78 -1.17 120.40 115.01 2kpp s VAL 9 Ca 0.09 -1.52 -0.13 0.00 -1.81 0.00 0.00 61.98 58.61 2kpp s VAL 9 Cb -0.09 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2kpp s VAL 9 CO 0.02 0.21 0.25 0.00 -0.31 0.00 0.00 175.10 175.27 2kpp s ALA 10 N -0.93 3.44 -0.51 1.32 0.00 0.40 -1.37 121.76 124.12 2kpp s ALA 10 Ca 0.12 -1.54 -0.20 0.00 0.00 0.00 0.00 51.96 50.33 2kpp s ALA 10 Cb -0.10 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.37 2kpp s ALA 10 CO 0.04 -1.19 0.70 0.42 0.00 0.00 0.00 175.76 175.73 2kpp s ILE 11 N 1.68 4.76 -0.23 0.00 -1.09 0.22 -1.09 121.20 125.44 2kpp s ILE 11 Ca 0.05 -0.29 -0.18 0.00 -2.23 0.00 0.00 60.65 57.99 2kpp s ILE 11 Cb -0.18 -4.35 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2kpp s ILE 11 CO 0.09 -0.87 0.52 -0.63 -1.23 0.00 0.00 174.94 172.83 2kpp s ILE 12 N 2.94 5.08 0.22 2.92 1.09 0.91 -1.23 121.20 133.13 2kpp s ILE 12 Ca 0.19 0.93 0.11 0.00 -1.10 0.00 0.00 60.65 60.78 2kpp s ILE 12 Cb -0.17 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.34 2kpp s ILE 12 CO 0.14 0.12 -0.21 -0.44 -0.10 0.00 0.00 174.94 174.45 2kpp s SER 13 N 1.37 3.28 -0.13 3.58 0.01 0.76 -1.00 113.70 121.57 2kpp s SER 13 Ca 0.23 -0.94 -0.17 0.00 1.31 0.00 0.00 55.95 56.38 2kpp s SER 13 Cb -0.15 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.87 2kpp s SER 13 CO 0.09 0.04 0.45 -1.58 0.41 0.00 0.00 173.24 172.64 2kpp s GLN 14 N -3.10 0.60 -1.79 12.44 0.74 0.63 -0.69 119.66 128.50 2kpp s GLN 14 Ca 0.23 0.44 0.00 0.00 0.05 0.00 0.00 55.36 56.08 2kpp s GLN 14 Cb -0.06 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.34 2kpp s GLN 14 CO 0.11 -0.11 0.00 0.09 -0.55 0.00 0.00 175.29 174.83 2kpp n ASN 15 N 2.36 -4.86 0.00 6.67 3.02 0.51 -1.93 115.26 121.03 2kpp n ASN 15 Ca -0.15 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2kpp n ASN 15 Cb 0.57 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -0.24 1.28 3.26 7.41 0.00 -1.26 -5.09 105.19 110.55 2kpp n GLY 16 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 1.08 0.18 1.61 -2.85 -0.82 -5.13 119.74 113.24 2kpp s LYS 17 Ca 0.00 -1.34 -0.30 0.00 -1.00 0.00 0.00 55.97 53.33 2kpp s LYS 17 Cb 0.00 -0.89 -0.09 0.00 -2.06 0.00 0.00 37.83 34.79 2kpp s LYS 17 CO 0.00 0.16 1.32 0.08 0.10 0.00 0.00 175.35 177.01 2kpp s VAL 18 N -2.49 3.25 -0.08 1.79 1.01 -1.26 -0.27 120.40 122.34 2kpp s VAL 18 Ca 0.13 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.17 2kpp s VAL 18 Cb -0.03 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2kpp s VAL 18 CO 0.03 0.14 0.02 2.30 0.00 0.00 0.00 175.10 177.58 2kpp n ILE 19 N 2.88 0.57 -3.66 2.22 -5.35 -0.17 -4.86 119.36 110.99 2kpp n ILE 19 Ca 0.07 -0.34 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 2kpp n ILE 19 Cb 0.43 -0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 37.45 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 -2.20 0.64 -0.24 6.28 6.06 -0.76 -5.05 118.95 123.67 2kpp s ARG 20 Ca -0.05 1.01 -0.00 0.00 -2.50 0.00 0.00 55.73 54.19 2kpp s ARG 20 Cb 0.03 0.17 0.03 0.00 0.06 0.00 0.00 34.95 35.24 2kpp s ARG 20 CO 0.33 -0.13 -0.09 -1.21 -2.50 0.00 0.00 175.30 171.69 2kpp s GLU 21 N 1.17 2.69 -0.24 5.12 8.01 -1.26 -0.06 118.70 134.13 2kpp s GLU 21 Ca -0.07 -1.06 -0.02 0.00 0.01 0.00 0.00 54.97 53.83 2kpp s GLU 21 Cb -0.06 -2.90 0.02 0.00 -4.31 0.00 0.00 34.13 26.88 2kpp s GLU 21 CO -0.12 -0.42 -0.06 0.42 0.01 0.00 0.00 175.26 175.08 2kpp s ILE 22 N 1.26 2.90 0.01 -1.63 1.01 -0.25 -4.97 121.20 119.53 2kpp s ILE 22 Ca -0.02 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 2kpp s ILE 22 Cb -0.17 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 2kpp s ILE 22 CO -0.06 0.24 1.51 -2.16 0.00 0.00 0.00 174.94 174.47 2kpp s PRO 23 N 1.34 4.24 -0.12 2.79 0.04 -1.26 -0.45 135.00 141.58 2kpp s PRO 23 Ca 0.01 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2kpp s PRO 23 Cb -0.16 -3.62 -0.09 0.00 0.04 0.00 0.00 34.50 30.66 2kpp s PRO 23 CO -0.05 -0.66 0.22 -0.07 0.04 0.00 0.00 177.00 176.48 2kpp h LEU 24 N 8.62 0.00 -9.05 -3.56 3.38 -1.47 -3.38 115.31 109.86 2kpp h LEU 24 Ca -0.39 -0.32 -0.57 0.00 0.09 0.00 0.00 57.88 56.68 2kpp h LEU 24 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2kpp h LEU 24 CO 0.92 0.73 1.36 -0.89 0.09 0.00 0.00 178.44 180.65 2kpp s THR 25 N -1.87 3.18 0.00 0.22 2.01 -1.05 -1.24 115.64 116.88 2kpp s THR 25 Ca -0.09 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2kpp s THR 25 Cb -0.00 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.31 2kpp s THR 25 CO 0.26 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2kpp n GLY 26 N 5.31 0.85 3.66 4.40 0.00 -1.26 -4.84 105.19 113.30 2kpp n GLY 26 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.07 3.39 0.05 1.61 5.04 -0.37 -5.05 115.29 117.90 2kpp s HIS 27 Ca 0.00 1.19 -0.16 0.00 -1.54 0.00 0.00 55.06 54.55 2kpp s HIS 27 Cb 0.00 -2.99 -0.06 0.00 0.04 0.00 0.00 32.58 29.56 2kpp s HIS 27 CO 0.00 -0.26 0.49 0.15 -2.34 0.00 0.00 174.74 172.78 2kpp s LYS 28 N 2.25 4.04 3.53 2.88 3.01 -1.26 -4.36 119.74 129.83 2kpp s LYS 28 Ca 0.36 0.55 0.00 0.00 -1.01 0.00 0.00 55.97 55.88 2kpp s LYS 28 Cb -0.16 -3.18 0.00 0.00 -1.01 0.00 0.00 37.83 33.48 2kpp s LYS 28 CO 0.11 0.64 0.00 0.41 0.51 0.00 0.00 175.35 177.02 2kpp n GLY 29 N 1.61 0.54 3.41 -3.33 0.00 -1.26 -4.80 105.19 101.36 2kpp n GLY 29 Ca -0.11 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 3.59 -0.15 1.61 3.84 -1.26 -0.17 114.94 118.39 2kpp s ASN 30 Ca 0.00 -0.44 -0.04 0.00 0.21 0.00 0.00 52.86 52.59 2kpp s ASN 30 Cb 0.00 -0.53 0.07 0.00 -0.55 0.00 0.00 41.25 40.24 2kpp s ASN 30 CO 0.00 0.28 0.19 -0.70 -2.79 0.00 0.00 177.10 174.07 2kpp s GLU 31 N -1.21 0.11 -0.05 0.43 2.12 0.91 -5.00 118.70 116.01 2kpp s GLU 31 Ca 0.13 0.36 0.05 0.00 0.36 0.00 0.00 54.97 55.87 2kpp s GLU 31 Cb -0.10 -0.82 -0.02 0.00 0.26 0.00 0.00 34.13 33.44 2kpp s GLU 31 CO 0.03 -0.49 -0.21 -0.65 -0.54 0.00 0.00 175.26 173.40 2kpp s GLN 32 N 2.30 2.51 -0.04 4.30 -0.21 -1.26 -0.22 119.66 127.04 2kpp s GLN 32 Ca 0.04 -0.83 -0.05 0.00 0.02 0.00 0.00 55.36 54.54 2kpp s GLN 32 Cb -0.14 -2.24 0.01 0.00 1.00 0.00 0.00 33.01 31.64 2kpp s GLN 32 CO -0.09 0.48 0.14 -0.59 -2.12 0.00 0.00 175.29 173.11 2kpp s PHE 33 N -0.39 -0.12 -0.31 0.91 -0.71 -0.45 -5.02 117.98 111.90 2kpp s PHE 33 Ca 0.03 0.28 -0.12 0.00 -1.04 0.00 0.00 56.93 56.09 2kpp s PHE 33 Cb -0.12 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2kpp s PHE 33 CO 0.02 -0.12 0.22 0.99 -1.34 0.00 0.00 175.22 174.99 2kpp s THR 34 N -0.22 5.30 -0.70 -4.49 2.01 -1.26 -1.20 115.64 115.08 2kpp s THR 34 Ca -0.03 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 2kpp s THR 34 Cb -0.02 -3.61 0.11 0.00 0.01 0.00 0.00 72.50 68.98 2kpp s THR 34 CO 0.00 0.14 0.86 -0.63 -0.69 0.00 0.00 174.62 174.30 2kpp s ILE 35 N 1.75 4.76 0.40 1.82 1.01 0.40 -4.97 121.20 126.37 2kpp s ILE 35 Ca 0.07 -1.11 -0.23 0.00 0.00 0.00 0.00 60.65 59.38 2kpp s ILE 35 Cb -0.17 -4.59 -0.10 0.00 0.01 0.00 0.00 42.46 37.61 2kpp s ILE 35 CO 0.11 -1.27 0.96 -0.54 0.00 0.00 0.00 174.94 174.19 2kpp s LYS 36 N 2.77 4.33 0.00 2.79 1.02 -1.26 -0.58 119.74 128.80 2kpp s LYS 36 Ca 0.19 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.39 2kpp s LYS 36 Cb -0.17 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2kpp s LYS 36 CO 0.02 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 2kpp n GLY 37 N -0.20 5.55 3.68 -3.33 0.00 0.09 -4.94 105.19 106.04 2kpp n GLY 37 Ca 0.05 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2kpp n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpp s LYS 38 N 1.79 4.26 5.89 1.61 -2.85 -1.26 -4.65 119.74 124.54 2kpp s LYS 38 Ca 0.00 1.95 0.00 0.00 -1.00 0.00 0.00 55.97 56.92 2kpp s LYS 38 Cb 0.00 -3.66 0.00 0.00 -2.06 0.00 0.00 37.83 32.11 2kpp s LYS 38 CO 0.00 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 175.23 2kpp n GLY 39 N 3.71 1.57 1.24 0.59 0.00 -1.26 -2.80 105.19 108.24 2kpp n GLY 39 Ca 0.14 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.66 2kpp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpp n ALA 40 N 9.70 3.00 -2.84 4.61 0.00 -1.26 -4.87 120.51 128.84 2kpp n ALA 40 Ca 0.00 -1.14 -0.43 0.00 0.00 0.00 0.00 53.44 51.87 2kpp n ALA 40 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.81 3.11 0.22 0.00 -0.21 -1.12 -4.85 119.66 115.00 2kpp s GLN 41 Ca 0.37 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.98 2kpp s GLN 41 Cb 0.24 -4.22 -0.05 0.00 1.00 0.00 0.00 33.01 29.98 2kpp s GLN 41 CO 0.17 -1.84 0.02 1.52 -2.12 0.00 0.00 175.29 173.04 2kpp s TYR 42 N 4.17 1.47 -0.12 0.91 1.13 -1.26 -0.73 117.35 122.92 2kpp s TYR 42 Ca 0.23 -1.00 0.01 0.00 -1.41 0.00 0.00 57.07 54.89 2kpp s TYR 42 Cb -0.16 -0.85 0.02 0.00 -1.10 0.00 0.00 41.96 39.86 2kpp s TYR 42 CO 0.10 -0.15 -0.12 -0.80 -2.51 0.00 0.00 175.55 172.07 2kpp s ASN 43 N -3.27 2.36 -0.43 -0.18 -0.87 0.25 -2.86 114.94 109.93 2kpp s ASN 43 Ca 0.29 -0.39 -0.20 0.00 -1.57 0.00 0.00 52.86 50.99 2kpp s ASN 43 Cb 0.06 -1.01 0.02 0.00 -0.02 0.00 0.00 41.25 40.30 2kpp s ASN 43 CO 0.08 -0.04 0.62 -0.22 -2.57 0.00 0.00 177.10 174.97 2kpp s LEU 44 N 1.31 4.52 -0.14 0.60 2.96 0.98 -0.45 118.68 128.45 2kpp s LEU 44 Ca -0.01 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2kpp s LEU 44 Cb -0.14 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 2kpp s LEU 44 CO -0.06 -0.74 0.15 -0.04 -1.32 0.00 0.00 176.35 174.35 2kpp s MET 45 N 2.74 3.69 -0.19 1.98 -1.94 -0.34 0.38 119.30 125.62 2kpp s MET 45 Ca 0.22 -0.12 0.01 0.00 -1.71 0.00 0.00 55.69 54.08 2kpp s MET 45 Cb -0.14 -3.26 0.04 0.00 2.01 0.00 0.00 34.83 33.48 2kpp s MET 45 CO 0.18 0.63 -0.09 -2.00 -0.01 0.00 0.00 175.02 173.72 2kpp s GLU 46 N -0.60 1.92 -0.42 2.03 2.12 0.06 -1.34 118.70 122.45 2kpp s GLU 46 Ca 0.14 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.58 2kpp s GLU 46 Cb -0.12 -2.31 0.05 0.00 0.26 0.00 0.00 34.13 32.02 2kpp s GLU 46 CO 0.03 -0.42 0.30 0.08 -0.54 0.00 0.00 175.26 174.71 2kpp s VAL 47 N 1.45 4.87 -0.21 3.70 1.01 0.69 -1.25 120.40 130.67 2kpp s VAL 47 Ca -0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 2kpp s VAL 47 Cb -0.16 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2kpp s VAL 47 CO -0.08 -0.42 -0.03 -0.62 0.00 0.00 0.00 175.10 173.95 2kpp s ASP 48 N 2.05 4.51 1.64 3.32 2.15 0.45 -0.06 116.67 130.72 2kpp s ASP 48 Ca 0.03 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.70 2kpp s ASP 48 Cb -0.22 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 2kpp s ASP 48 CO 0.06 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.69 2kpp n GLY 49 N 4.55 1.12 0.39 2.66 0.00 0.76 -1.46 105.19 113.20 2kpp n GLY 49 Ca -0.18 0.48 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 1.39 -4.01 1.61 1.02 -1.26 -4.29 120.64 115.10 2kpp n GLU 50 Ca 0.00 -2.92 -0.11 0.00 -0.02 0.00 0.00 57.16 54.11 2kpp n GLU 50 Cb 0.00 -1.51 -0.11 0.00 -0.02 0.00 0.00 31.44 29.80 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 -2.95 0.39 0.05 3.49 1.70 -0.54 -4.68 118.95 116.42 2kpp s ARG 51 Ca 0.35 -0.65 0.06 0.00 -0.47 0.00 0.00 55.73 55.02 2kpp s ARG 51 Cb 0.32 -0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 2kpp s ARG 51 CO -0.03 -0.01 -0.18 -1.50 -1.08 0.00 0.00 175.30 172.50 2kpp s ILE 52 N -1.40 1.45 0.22 4.99 2.07 -0.40 -0.41 121.20 127.71 2kpp s ILE 52 Ca -0.13 -1.20 -0.10 0.00 -1.41 0.00 0.00 60.65 57.81 2kpp s ILE 52 Cb -0.10 -1.30 -0.01 0.00 0.13 0.00 0.00 42.46 41.19 2kpp s ILE 52 CO -0.00 0.06 0.37 0.00 -1.91 0.00 0.00 174.94 173.46 2kpp s ARG 53 N -1.34 1.39 -0.42 3.50 1.70 -0.38 -0.59 118.95 122.82 2kpp s ARG 53 Ca 0.05 -1.29 -0.21 0.00 -0.47 0.00 0.00 55.73 53.80 2kpp s ARG 53 Cb -0.09 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 2kpp s ARG 53 CO 0.02 -0.54 0.67 0.42 -1.08 0.00 0.00 175.30 174.79 2kpp s ILE 54 N -4.03 4.80 0.10 4.99 1.01 -1.26 -0.76 121.20 126.05 2kpp s ILE 54 Ca 0.24 0.29 -0.12 0.00 0.00 0.00 0.00 60.65 61.07 2kpp s ILE 54 Cb 0.02 -4.20 -0.18 0.00 0.01 0.00 0.00 42.46 38.11 2kpp s ILE 54 CO 0.07 -0.55 1.28 0.50 0.00 0.00 0.00 174.94 176.24 2kpp h LYS 55 N 8.80 0.71 -2.98 2.79 3.64 -0.40 -3.42 116.57 125.70 2kpp h LYS 55 Ca -0.25 -0.65 -0.12 0.00 -1.27 0.00 0.00 60.65 58.36 2kpp h LYS 55 Cb 1.10 0.16 -0.21 0.00 -0.41 0.00 0.00 32.23 32.87 2kpp h LYS 55 CO 0.89 1.25 -0.26 -2.00 -2.27 0.00 0.00 179.45 177.06 2kpp s GLU 56 N -3.56 0.65 -0.22 1.90 2.56 -1.11 -5.02 118.70 113.91 2kpp s GLU 56 Ca -0.09 -0.10 -0.13 0.00 0.00 0.00 0.00 54.97 54.65 2kpp s GLU 56 Cb 0.08 0.29 0.07 0.00 2.00 0.00 0.00 34.13 36.57 2kpp s GLU 56 CO 0.90 -0.17 0.54 0.34 -0.56 0.00 0.00 175.26 176.31 2kpp s ASP 57 N -1.16 -0.70 -1.15 -1.70 2.15 -1.26 -0.02 116.67 112.84 2kpp s ASP 57 Ca -0.12 1.17 -0.04 0.00 0.43 0.00 0.00 52.55 53.99 2kpp s ASP 57 Cb -0.05 1.05 0.25 0.00 -0.30 0.00 0.00 42.92 43.87 2kpp s ASP 57 CO 0.04 -0.21 1.86 -3.20 -0.17 0.00 0.00 175.17 173.49 2kpp n ASN 58 N 4.18 6.91 -4.12 -0.34 5.15 -1.14 -4.95 115.26 120.95 2kpp n ASN 58 Ca -0.21 -3.41 -0.23 0.00 -0.60 0.00 0.00 54.58 50.13 2kpp n ASN 58 Cb 0.57 -1.29 -0.15 0.00 -0.53 0.00 0.00 39.78 38.38 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2kpp s SER 59 N -0.77 1.76 0.35 1.20 0.15 -1.26 -4.62 113.70 110.50 2kpp s SER 59 Ca 0.40 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.82 2kpp s SER 59 Cb 0.14 -0.22 0.67 0.00 -1.71 0.00 0.00 66.02 64.90 2kpp s SER 59 CO -0.03 0.18 1.97 -0.65 1.20 0.00 0.00 173.24 175.90 2kpp h PRO 60 N 5.81 0.81 0.00 5.44 0.11 -1.99 -2.70 132.00 139.48 2kpp h PRO 60 Ca -0.35 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.55 2kpp h PRO 60 Cb 1.16 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2kpp h PRO 60 CO 0.49 0.54 -0.78 -0.44 -0.21 0.00 0.00 178.00 177.60 2kpp h ASP 61 N 0.84 0.00 -1.12 -2.05 3.32 -1.99 -3.47 116.42 111.95 2kpp h ASP 61 Ca 0.30 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.01 2kpp h ASP 61 Cb 0.14 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.56 2kpp h ASP 61 CO -0.09 0.78 -0.31 0.00 -1.72 0.00 0.00 179.24 177.90 2kpp n GLN 62 N -3.53 -1.41 -0.33 3.56 1.13 -1.02 -4.85 117.38 110.92 2kpp n GLN 62 Ca -0.00 1.00 0.07 0.00 -1.94 0.00 0.00 57.00 56.12 2kpp n GLN 62 Cb 0.77 -5.32 0.23 0.00 0.11 0.00 0.00 30.24 26.03 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 0.86 -0.65 5.09 2.07 -1.90 -1.66 116.25 120.07 2kpp h VAL 63 Ca -0.34 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2kpp h VAL 63 Cb 1.12 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2kpp h VAL 63 CO 0.50 0.16 0.38 1.23 0.02 0.00 0.00 177.57 179.86 2kpp h GLY 64 N 0.86 0.94 1.27 2.17 0.00 -1.89 -1.48 103.07 104.94 2kpp h GLY 64 Ca 0.48 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 2kpp h GLY 64 CO -0.29 0.21 0.05 -2.08 0.00 0.00 0.00 176.54 174.43 2kpp h VAL 65 N 0.73 1.25 -0.63 4.60 2.07 -1.58 -2.72 116.25 119.97 2kpp h VAL 65 Ca 0.27 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 2kpp h VAL 65 Cb 0.09 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2kpp h VAL 65 CO -0.14 0.36 0.06 0.11 0.02 0.00 0.00 177.57 177.98 2kpp h LYS 66 N 0.84 1.08 -0.59 1.57 1.57 -0.87 -3.07 116.57 117.10 2kpp h LYS 66 Ca 0.17 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 2kpp h LYS 66 Cb 0.42 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2kpp h LYS 66 CO 0.01 1.02 0.09 0.52 -0.57 0.00 0.00 179.45 180.52 2kpp h MET 67 N 0.99 0.98 0.00 3.15 2.86 -1.17 -3.48 114.93 118.27 2kpp h MET 67 Ca 0.19 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2kpp h MET 67 Cb 0.49 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2kpp h MET 67 CO 0.02 0.93 0.00 0.41 1.06 0.00 0.00 176.91 179.33 2kpp n GLY 68 N -0.54 2.40 3.74 8.32 0.00 -1.04 -4.78 105.19 113.29 2kpp n GLY 68 Ca 0.03 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 3.75 0.02 1.61 0.52 -1.26 -4.15 118.94 119.43 2kpp s TRP 69 Ca 0.00 1.74 0.03 0.00 0.02 0.00 0.00 56.10 57.89 2kpp s TRP 69 Cb 0.00 -3.14 -0.02 0.00 -1.15 0.00 0.00 33.47 29.16 2kpp s TRP 69 CO 0.00 -0.10 -0.11 0.15 0.02 0.00 0.00 176.95 176.91 2kpp s LYS 70 N -0.46 0.75 0.00 4.98 -0.14 0.24 -4.98 119.74 120.13 2kpp s LYS 70 Ca 0.47 -0.57 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 2kpp s LYS 70 Cb -0.27 -0.70 0.00 0.00 -1.68 0.00 0.00 37.83 35.18 2kpp s LYS 70 CO 0.33 0.18 0.16 -1.13 -0.76 0.00 0.00 175.35 174.13 2kpp n SER 71 N 2.20 0.00 -4.33 2.83 3.41 -1.26 -1.28 113.62 115.19 2kpp n SER 71 Ca -0.17 -0.90 -0.25 0.00 -0.26 0.00 0.00 58.87 57.29 2kpp n SER 71 Cb 0.56 0.00 -0.12 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 1.25 -0.18 4.33 -0.14 -1.26 -4.99 119.74 118.75 2kpp s LYS 72 Ca 0.00 -1.28 -0.29 0.00 -1.36 0.00 0.00 55.97 53.04 2kpp s LYS 72 Cb 0.00 -1.54 -0.06 0.00 -1.68 0.00 0.00 37.83 34.55 2kpp s LYS 72 CO 0.00 0.35 2.19 0.00 -0.76 0.00 0.00 175.35 177.13 2kpp n ALA 73 N 0.83 1.74 0.00 5.17 0.00 -1.26 -1.41 120.51 125.57 2kpp n ALA 73 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2kpp n ALA 73 Cb 0.54 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 5.61 1.88 3.68 0.00 0.00 0.24 -4.97 105.19 111.63 2kpp n GLY 74 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.72 6.56 0.01 1.61 1.01 -0.50 -4.82 116.67 118.82 2kpp s ASP 75 Ca 0.00 2.51 0.04 0.00 0.71 0.00 0.00 52.55 55.81 2kpp s ASP 75 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2kpp s ASP 75 CO 0.00 -0.94 -0.13 0.42 0.21 0.00 0.00 175.17 174.73 2kpp s THR 76 N 3.27 0.99 -0.22 -1.27 -4.23 -1.26 -0.93 115.64 111.98 2kpp s THR 76 Ca 0.77 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 2kpp s THR 76 Cb -0.40 -0.85 0.01 0.00 1.34 0.00 0.00 72.50 72.60 2kpp s THR 76 CO 0.34 0.18 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.88 2kpp s ILE 77 N -0.48 2.92 -0.26 2.99 -1.09 0.81 -4.98 121.20 121.12 2kpp s ILE 77 Ca 0.03 -0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.65 2kpp s ILE 77 Cb -0.06 -2.36 0.02 0.00 -1.58 0.00 0.00 42.46 38.48 2kpp s ILE 77 CO 0.00 0.37 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.38 2kpp s VAL 78 N 1.39 3.33 -0.68 2.92 1.01 -1.26 -1.18 120.40 125.93 2kpp s VAL 78 Ca 0.04 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.23 2kpp s VAL 78 Cb -0.15 -2.68 0.18 0.00 0.00 0.00 0.00 36.38 33.73 2kpp s VAL 78 CO -0.06 0.19 0.50 0.00 0.00 0.00 0.00 175.10 175.73 2kpp h LEU 80 N 5.30 0.30 -1.77 0.00 3.38 -1.94 0.29 115.31 120.87 2kpp h LEU 80 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2kpp h LEU 80 Cb 0.76 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2kpp h LEU 80 CO 0.70 0.22 0.17 -0.65 0.09 0.00 0.00 178.44 178.97 2kpp h PRO 81 N 0.39 0.00 -0.00 1.13 0.11 -1.96 -0.08 132.00 131.59 2kpp h PRO 81 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2kpp h PRO 81 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2kpp h PRO 81 CO -0.07 0.00 -0.02 0.72 -0.21 0.00 0.00 178.00 178.42 2kpp n HIS 82 N -2.55 0.00 -2.27 0.65 8.25 -0.71 -5.01 115.22 113.59 2kpp n HIS 82 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2kpp n HIS 82 Cb 0.21 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.05 -1.68 -3.81 -0.41 5.02 0.93 -4.68 118.16 113.49 2kpp n LYS 83 Ca 0.02 1.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.97 2kpp n LYS 83 Cb 0.07 -5.64 -0.08 0.00 -0.02 0.00 0.00 35.03 29.37 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 -2.97 5.34 -0.08 -0.18 1.01 -0.67 -0.36 120.40 122.49 2kpp s VAL 84 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2kpp s VAL 84 Cb 0.00 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.01 2kpp s VAL 84 CO 0.00 0.49 0.02 0.12 0.00 0.00 0.00 175.10 175.74 2kpp s PHE 85 N -0.04 0.55 -0.12 5.22 5.36 0.14 -0.68 117.98 128.40 2kpp s PHE 85 Ca 0.09 -0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 55.90 2kpp s PHE 85 Cb -0.11 -0.75 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 2kpp s PHE 85 CO -0.00 -0.34 -0.10 0.08 -1.46 0.00 0.00 175.22 173.40 2kpp s VAL 86 N 2.01 3.36 -0.04 3.12 1.01 -0.32 -0.17 120.40 129.36 2kpp s VAL 86 Ca 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2kpp s VAL 86 Cb -0.13 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2kpp s VAL 86 CO -0.05 0.53 -0.08 -1.83 0.00 0.00 0.00 175.10 173.66 2kpp s GLU 87 N 0.11 1.14 -0.18 2.72 -1.05 -0.36 -0.13 118.70 120.94 2kpp s GLU 87 Ca -0.04 -0.26 -0.12 0.00 -0.15 0.00 0.00 54.97 54.39 2kpp s GLU 87 Cb -0.14 -1.03 -0.05 0.00 -0.44 0.00 0.00 34.13 32.47 2kpp s GLU 87 CO 0.04 0.02 0.23 0.42 0.95 0.00 0.00 175.26 176.92 2kpp s ILE 88 N 0.59 5.35 0.05 1.83 1.01 -0.11 -0.61 121.20 129.31 2kpp s ILE 88 Ca -0.10 0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.97 2kpp s ILE 88 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2kpp s ILE 88 CO 0.01 0.41 -0.05 -1.59 0.00 0.00 0.00 174.94 173.72 2kpp s LYS 89 N 0.43 0.55 0.25 2.79 -2.85 -0.47 -0.59 119.74 119.85 2kpp s LYS 89 Ca 0.13 -0.93 -0.11 0.00 -1.00 0.00 0.00 55.97 54.07 2kpp s LYS 89 Cb -0.12 -0.08 -0.08 0.00 -2.06 0.00 0.00 37.83 35.50 2kpp s LYS 89 CO 0.01 -0.02 0.58 0.45 0.10 0.00 0.00 175.35 176.48 2kpp s SER 90 N -2.11 6.66 0.56 0.03 0.15 -1.26 -0.16 113.70 117.58 2kpp s SER 90 Ca -0.04 0.99 0.34 0.00 0.70 0.00 0.00 55.95 57.94 2kpp s SER 90 Cb -0.03 -2.26 1.64 0.00 -1.71 0.00 0.00 66.02 63.66 2kpp s SER 90 CO -0.03 -0.09 2.10 0.71 1.20 0.00 0.00 173.24 177.13 2kpp h THR 91 N 2.01 0.24 -2.64 6.45 1.35 -1.24 -3.44 112.91 115.64 2kpp h THR 91 Ca -0.47 -0.43 -0.46 0.00 -0.55 0.00 0.00 66.41 64.49 2kpp h THR 91 Cb 1.17 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.94 2kpp h THR 91 CO 0.68 0.06 -0.19 -1.10 -0.25 0.00 0.00 175.52 174.72 2kpp s GLN 92 N -3.98 3.31 0.55 4.72 -0.21 -1.26 -5.08 119.66 117.71 2kpp s GLN 92 Ca -0.02 -0.48 -0.20 0.00 0.02 0.00 0.00 55.36 54.68 2kpp s GLN 92 Cb 0.12 -2.66 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 2kpp s GLN 92 CO 0.53 0.03 1.18 0.15 -2.12 0.00 0.00 175.29 175.06 2kpp s LYS 93 N -4.36 3.27 -0.34 2.91 -0.14 -1.26 -5.02 119.74 114.81 2kpp s LYS 93 Ca 0.43 1.76 -0.15 0.00 -1.36 0.00 0.00 55.97 56.65 2kpp s LYS 93 Cb -0.10 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 2kpp s LYS 93 CO 0.36 -0.95 0.34 0.16 -0.76 0.00 0.00 175.35 174.50 2kpp s ASP 94 N -1.58 6.16 -0.54 2.83 -4.77 -1.26 -5.05 116.67 112.46 2kpp s ASP 94 Ca 0.73 -0.26 -0.25 0.00 -3.30 0.00 0.00 52.55 49.48 2kpp s ASP 94 Cb -0.28 -2.19 0.04 0.00 -1.09 0.00 0.00 42.92 39.40 2kpp s ASP 94 CO 0.32 -0.32 0.95 -0.94 0.70 0.00 0.00 175.17 175.88 2kpp s SER 95 N 1.73 6.37 0.53 2.11 1.04 -1.26 -5.02 113.70 119.20 2kpp s SER 95 Ca 0.11 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.31 2kpp s SER 95 Cb -0.17 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.52 2kpp s SER 95 CO 0.11 -1.21 0.15 -0.54 0.98 0.00 0.00 173.24 172.74 2kpp s LYS 96 N 3.96 2.22 0.50 4.02 1.02 -1.26 -5.13 119.74 125.08 2kpp s LYS 96 Ca 0.32 -2.27 -0.21 0.00 0.02 0.00 0.00 55.97 53.82 2kpp s LYS 96 Cb -0.12 -1.74 -0.06 0.00 -0.52 0.00 0.00 37.83 35.39 2kpp s LYS 96 CO 0.21 -0.47 1.17 0.16 -0.92 0.00 0.00 175.35 175.50 2kpp s ASP 97 N -4.03 5.89 0.32 2.83 -4.77 -1.26 -4.98 116.67 110.68 2kpp s ASP 97 Ca 0.15 2.31 0.23 0.00 -3.30 0.00 0.00 52.55 51.94 2kpp s ASP 97 Cb -0.00 -2.60 0.32 0.00 -1.09 0.00 0.00 42.92 39.56 2kpp s ASP 97 CO 0.09 -1.11 1.47 1.55 0.70 0.00 0.00 175.17 177.88 2kpp h PRO 98 N 1.66 0.00 -3.39 2.11 0.13 -2.04 -3.42 132.00 127.04 2kpp h PRO 98 Ca -0.50 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 2kpp h PRO 98 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 2kpp h PRO 98 CO 0.59 0.00 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.11 2kpp s ASP 99 N -5.61 3.94 -1.26 1.44 1.01 -1.26 -5.02 116.67 109.92 2kpp s ASP 99 Ca 0.06 -2.26 -0.15 0.00 0.71 0.00 0.00 52.55 50.90 2kpp s ASP 99 Cb 0.08 -1.08 -0.04 0.00 1.01 0.00 0.00 42.92 42.89 2kpp s ASP 99 CO 0.69 -0.33 2.23 0.41 0.21 0.00 0.00 175.17 178.38 2kpp n THR 100 N 4.04 3.04 -0.09 -1.27 -1.04 -1.26 -4.12 114.28 113.58 2kpp n THR 100 Ca 0.04 -2.47 0.00 0.00 -2.04 0.00 0.00 64.05 59.58 2kpp n THR 100 Cb 0.38 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 2kpp n THR 100 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2kpp n ASP 101 N 6.05 0.17 -3.90 8.00 2.03 -1.26 -5.07 116.55 122.58 2kpp n ASP 101 Ca 0.54 -0.51 -0.10 0.00 0.52 0.00 0.00 54.79 55.24 2kpp n ASP 101 Cb 0.36 0.49 -0.09 0.00 -0.72 0.00 0.00 41.12 41.15 2kpp n ASP 101 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2kpp s LEU 102 N -0.98 1.68 -0.14 -2.67 0.05 -1.26 -5.08 118.68 110.28 2kpp s LEU 102 Ca 0.00 -0.40 -0.22 0.00 0.05 0.00 0.00 54.13 53.56 2kpp s LEU 102 Cb 0.00 0.66 -0.25 0.00 -2.05 0.00 0.00 46.19 44.55 2kpp s LEU 102 CO 0.00 -0.46 0.54 0.40 -0.55 0.00 0.00 176.35 176.28 2kpp h ILE 103 N 3.86 1.25 -3.60 1.48 2.04 -1.97 -3.45 117.51 117.12 2kpp h ILE 103 Ca -0.32 -2.33 -0.63 0.00 1.00 0.00 0.00 64.86 62.58 2kpp h ILE 103 Cb 1.19 2.80 -0.18 0.00 -0.74 0.00 0.00 36.82 39.89 2kpp h ILE 103 CO 0.47 0.56 -0.57 0.68 0.00 0.00 0.00 178.15 179.29 2kpp s VAL 104 N -2.37 4.83 -0.37 1.67 -7.23 -1.26 -5.06 120.40 110.62 2kpp s VAL 104 Ca -0.22 -0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.67 2kpp s VAL 104 Cb 0.02 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.69 2kpp s VAL 104 CO 0.70 0.35 1.97 -2.84 -0.31 0.00 0.00 175.10 174.97 2kpp s PRO 105 N 1.24 3.04 0.47 4.82 0.02 -1.26 -4.98 135.00 138.35 2kpp s PRO 105 Ca 0.06 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.54 2kpp s PRO 105 Cb -0.14 -4.31 -0.03 0.00 0.02 0.00 0.00 34.50 30.03 2kpp s PRO 105 CO 0.05 -2.21 0.02 0.54 -0.33 0.00 0.00 177.00 175.06 2kpp s ASN 106 N 7.59 3.89 0.01 2.53 2.20 -1.26 -5.06 114.94 124.84 2kpp s ASN 106 Ca 0.84 -1.57 0.25 0.00 -0.94 0.00 0.00 52.86 51.44 2kpp s ASN 106 Cb -0.23 0.26 0.47 0.00 -2.00 0.00 0.00 41.25 39.76 2kpp s ASN 106 CO 0.31 -0.75 1.39 0.18 -2.94 0.00 0.00 177.10 175.29 2kpp n LEU 107 N -1.14 0.52 -4.56 3.54 7.99 -1.26 -4.82 117.00 117.27 2kpp n LEU 107 Ca -0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.47 2kpp n LEU 107 Cb 0.67 -0.24 -0.03 0.00 -0.11 0.00 0.00 43.42 43.71 2kpp n LEU 107 CO 0.41 0.12 1.52 -1.61 -1.51 0.00 0.00 177.39 176.31 2kpp s GLU 108 N -3.01 2.85 -1.43 3.23 2.02 -1.26 -4.90 118.70 116.20 2kpp s GLU 108 Ca 0.11 0.63 -0.14 0.00 0.02 0.00 0.00 54.97 55.58 2kpp s GLU 108 Cb 0.17 -4.31 0.06 0.00 0.10 0.00 0.00 34.13 30.15 2kpp s GLU 108 CO 0.71 -2.47 2.15 0.72 0.02 0.00 0.00 175.26 176.38 2kpp n HIS 109 N 11.75 3.56 -1.64 1.61 8.25 -1.26 -4.95 115.22 132.54 2kpp n HIS 109 Ca 0.18 -2.95 -0.45 0.00 -0.26 0.00 0.00 57.72 54.24 2kpp n HIS 109 Cb 0.51 -2.49 -0.04 0.00 1.12 0.00 0.00 29.99 29.09 2kpp n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kpp n HIS 110 N 6.00 2.30 -0.88 4.41 8.25 -1.26 -1.28 115.22 132.77 2kpp n HIS 110 Ca 0.50 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2kpp n HIS 110 Cb 0.39 -2.73 0.00 0.00 1.12 0.00 0.00 29.99 28.77 2kpp n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpp n HIS 111 N 8.14 0.00 -3.98 4.41 -0.00 -1.26 -4.97 115.22 117.56 2kpp n HIS 111 Ca 0.24 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 58.09 2kpp n HIS 111 Cb 0.37 -0.57 -0.14 0.00 -0.12 0.00 0.00 29.99 29.53 2kpp n HIS 111 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kpp s HIS 112 N -2.58 3.49 -0.16 1.57 5.04 -0.40 -4.98 115.29 117.27 2kpp s HIS 112 Ca 0.00 -2.51 -0.12 0.00 -1.54 0.00 0.00 55.06 50.89 2kpp s HIS 112 Cb 0.00 -2.50 -0.08 0.00 0.04 0.00 0.00 32.58 30.04 2kpp s HIS 112 CO 0.00 -0.90 -0.03 0.45 -2.34 0.00 0.00 174.74 171.92 2kpp h HIS 113 N 7.79 0.00 0.00 3.88 -0.00 -1.94 -3.43 115.15 121.45 2kpp h HIS 113 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 2kpp h HIS 113 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2kpp h HIS 113 CO 0.56 0.44 0.00 1.58 -0.00 0.00 0.00 177.93 180.51