#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 0.64 -1.23 3.17 2.47 -1.26 -5.07 119.74 118.46 2kpp s LYS 2 Ca 0.00 1.12 -0.21 0.00 -1.56 0.00 0.00 55.97 55.33 2kpp s LYS 2 Cb 0.00 0.16 -0.03 0.00 -1.46 0.00 0.00 37.83 36.50 2kpp s LYS 2 CO 0.00 -0.14 1.86 0.09 0.16 0.00 0.00 175.35 177.33 2kpp n ASN 3 N 4.25 3.79 -4.77 1.43 4.13 -1.26 -4.96 115.26 117.87 2kpp n ASN 3 Ca -0.19 -2.79 -0.38 0.00 1.68 0.00 0.00 54.58 52.90 2kpp n ASN 3 Cb 0.58 -1.73 -0.06 0.00 -1.54 0.00 0.00 39.78 37.03 2kpp n ASN 3 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2kpp s THR 4 N 8.23 4.15 -0.16 3.41 -1.32 -1.26 -5.02 115.64 123.68 2kpp s THR 4 Ca 0.62 1.88 -0.13 0.00 -1.21 0.00 0.00 61.69 62.85 2kpp s THR 4 Cb 0.02 -4.09 -0.04 0.00 -1.51 0.00 0.00 72.50 66.88 2kpp s THR 4 CO 0.11 0.24 -0.26 0.61 -2.21 0.00 0.00 174.62 173.11 2kpp n GLY 5 N 0.81 -0.77 3.55 6.08 0.00 -1.26 -4.99 105.19 108.62 2kpp n GLY 5 Ca 0.01 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -5.81 4.63 -0.34 1.61 -4.77 -1.26 -5.10 116.67 105.64 2kpp s ASP 6 Ca -0.21 -0.06 -0.18 0.00 -3.30 0.00 0.00 52.55 48.80 2kpp s ASP 6 Cb 0.03 -1.31 -0.01 0.00 -1.09 0.00 0.00 42.92 40.55 2kpp s ASP 6 CO 0.32 0.32 0.51 -1.61 0.70 0.00 0.00 175.17 175.40 2kpp s GLU 7 N -0.53 3.69 0.21 2.11 2.02 -1.26 -4.83 118.70 120.10 2kpp s GLU 7 Ca 0.08 -0.09 0.08 0.00 0.02 0.00 0.00 54.97 55.05 2kpp s GLU 7 Cb -0.12 -3.79 -0.05 0.00 0.10 0.00 0.00 34.13 30.28 2kpp s GLU 7 CO 0.02 -0.60 -0.14 0.14 0.02 0.00 0.00 175.26 174.70 2kpp s VAL 8 N 2.38 1.75 0.00 2.63 -7.23 -1.26 -1.30 120.40 117.37 2kpp s VAL 8 Ca 0.19 -2.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2kpp s VAL 8 Cb -0.15 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2kpp s VAL 8 CO 0.13 -0.58 -0.07 0.68 -0.31 0.00 0.00 175.10 174.96 2kpp s VAL 9 N -2.97 0.52 -0.35 1.32 -7.23 0.44 -2.37 120.40 109.76 2kpp s VAL 9 Ca 0.23 -0.39 -0.15 0.00 -1.81 0.00 0.00 61.98 59.86 2kpp s VAL 9 Cb -0.01 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 2kpp s VAL 9 CO 0.07 0.07 0.34 0.00 -0.31 0.00 0.00 175.10 175.27 2kpp s ALA 10 N -0.33 3.49 -0.36 1.32 0.00 0.27 -1.24 121.76 124.91 2kpp s ALA 10 Ca 0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 2kpp s ALA 10 Cb -0.04 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 2kpp s ALA 10 CO -0.00 -1.11 0.28 0.42 0.00 0.00 0.00 175.76 175.35 2kpp s ILE 11 N 1.94 5.25 -0.30 0.00 -1.09 0.50 -1.08 121.20 126.42 2kpp s ILE 11 Ca 0.10 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.13 2kpp s ILE 11 Cb -0.17 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 2kpp s ILE 11 CO 0.11 -0.11 0.20 -0.63 -1.23 0.00 0.00 174.94 173.28 2kpp s ILE 12 N 1.79 5.22 0.09 2.92 1.09 0.12 -1.56 121.20 130.87 2kpp s ILE 12 Ca 0.07 -0.02 0.10 0.00 -1.10 0.00 0.00 60.65 59.70 2kpp s ILE 12 Cb -0.18 -3.56 -0.03 0.00 -1.06 0.00 0.00 42.46 37.63 2kpp s ILE 12 CO 0.11 0.15 -0.25 -0.44 -0.10 0.00 0.00 174.94 174.41 2kpp s SER 13 N 1.73 3.02 0.01 3.58 0.01 -0.08 -0.84 113.70 121.13 2kpp s SER 13 Ca 0.06 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2kpp s SER 13 Cb -0.17 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 2kpp s SER 13 CO 0.10 0.18 -0.02 -1.58 0.41 0.00 0.00 173.24 172.33 2kpp s GLN 14 N -1.69 0.19 -1.51 12.44 0.74 0.45 -0.37 119.66 129.91 2kpp s GLN 14 Ca 0.11 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.29 2kpp s GLN 14 Cb -0.10 -0.08 0.00 0.00 1.10 0.00 0.00 33.01 33.93 2kpp s GLN 14 CO 0.04 0.02 0.00 0.09 -0.55 0.00 0.00 175.29 174.89 2kpp n ASN 15 N 2.60 -4.96 0.00 6.67 3.02 -0.02 -1.76 115.26 120.81 2kpp n ASN 15 Ca -0.16 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2kpp n ASN 15 Cb 0.58 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 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 -0.06 0.78 3.05 7.41 0.00 -1.26 -5.09 105.19 110.02 2kpp n GLY 16 Ca -0.14 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 0.31 -0.08 1.61 -2.85 -0.72 -5.13 119.74 112.16 2kpp s LYS 17 Ca 0.00 -0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.55 2kpp s LYS 17 Cb 0.00 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 2kpp s LYS 17 CO 0.00 -0.06 1.49 0.08 0.10 0.00 0.00 175.35 176.96 2kpp s VAL 18 N -0.66 3.80 -0.29 1.79 1.01 -1.26 -0.41 120.40 124.38 2kpp s VAL 18 Ca -0.07 1.02 0.13 0.00 0.00 0.00 0.00 61.98 63.05 2kpp s VAL 18 Cb -0.04 -3.66 -0.17 0.00 0.00 0.00 0.00 36.38 32.50 2kpp s VAL 18 CO 0.01 -0.07 0.41 2.30 0.00 0.00 0.00 175.10 177.74 2kpp n ILE 19 N 5.30 0.00 -3.63 2.22 -5.35 -0.02 -4.92 119.36 112.96 2kpp n ILE 19 Ca 0.16 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.30 2kpp n ILE 19 Cb 0.43 0.57 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 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 -2.59 0.44 -0.14 6.28 6.06 -0.94 -5.05 118.95 123.00 2kpp s ARG 20 Ca -0.00 0.40 -0.06 0.00 -2.50 0.00 0.00 55.73 53.57 2kpp s ARG 20 Cb 0.09 0.21 0.06 0.00 0.06 0.00 0.00 34.95 35.38 2kpp s ARG 20 CO 0.54 -0.08 0.30 -1.83 -2.50 0.00 0.00 175.30 171.73 2kpp s GLU 21 N -0.14 0.21 -0.18 5.12 -1.05 -1.26 0.15 118.70 121.55 2kpp s GLU 21 Ca 0.03 0.75 -0.00 0.00 -0.15 0.00 0.00 54.97 55.60 2kpp s GLU 21 Cb -0.04 0.01 0.01 0.00 -0.44 0.00 0.00 34.13 33.67 2kpp s GLU 21 CO -0.06 -0.24 -0.16 0.42 0.95 0.00 0.00 175.26 176.17 2kpp s ILE 22 N 2.12 2.45 -0.49 1.83 1.09 -0.24 -4.96 121.20 123.01 2kpp s ILE 22 Ca -0.02 -0.82 -0.27 0.00 -1.10 0.00 0.00 60.65 58.44 2kpp s ILE 22 Cb -0.11 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 39.20 2kpp s ILE 22 CO -0.10 0.51 1.99 -2.84 -0.10 0.00 0.00 174.94 174.41 2kpp s PRO 23 N 1.19 2.71 0.02 2.79 0.02 -1.26 -0.57 135.00 139.90 2kpp s PRO 23 Ca 0.02 1.09 -0.28 0.00 0.02 0.00 0.00 61.00 61.85 2kpp s PRO 23 Cb -0.14 -4.38 -0.16 0.00 0.02 0.00 0.00 34.50 29.84 2kpp s PRO 23 CO -0.07 -2.60 1.17 -0.07 -0.33 0.00 0.00 177.00 175.10 2kpp h LEU 24 N 16.39 -0.79 -9.37 -5.54 3.38 -1.81 -3.38 115.31 114.18 2kpp h LEU 24 Ca -0.28 0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.08 2kpp h LEU 24 Cb 1.19 0.20 0.04 0.00 0.09 0.00 0.00 40.66 42.19 2kpp h LEU 24 CO 1.14 -0.42 0.86 0.41 0.09 0.00 0.00 178.44 180.52 2kpp n THR 25 N -5.41 0.22 0.00 0.22 -1.04 -1.15 -1.31 114.28 105.82 2kpp n THR 25 Ca -0.12 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2kpp n THR 25 Cb 0.38 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 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 3.69 3.27 3.50 3.41 0.00 -1.26 -4.89 105.19 112.91 2kpp n GLY 26 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.26 2.74 0.47 1.61 5.04 -0.42 -4.91 115.29 117.55 2kpp s HIS 27 Ca 0.00 -0.17 -0.04 0.00 -1.54 0.00 0.00 55.06 53.30 2kpp s HIS 27 Cb 0.00 -4.14 0.10 0.00 0.04 0.00 0.00 32.58 28.58 2kpp s HIS 27 CO 0.00 -1.46 0.64 0.36 -2.34 0.00 0.00 174.74 171.94 2kpp n LYS 28 N 7.58 -0.22 0.00 2.88 2.85 -1.26 -0.71 118.16 129.29 2kpp n LYS 28 Ca 0.00 -1.33 0.00 0.00 -1.05 0.00 0.00 58.31 55.93 2kpp n LYS 28 Cb 0.47 -0.55 0.00 0.00 -0.65 0.00 0.00 35.03 34.30 2kpp n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kpp n GLY 29 N 0.51 -0.95 3.25 2.58 0.00 -1.26 -4.45 105.19 104.86 2kpp n GLY 29 Ca 0.09 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 3.20 -0.15 1.61 3.84 -1.26 -1.33 114.94 116.85 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 -1.31 0.04 0.00 -0.55 0.00 0.00 41.25 39.43 2kpp s ASN 30 CO 0.00 0.18 -0.01 -0.70 -2.79 0.00 0.00 177.10 173.78 2kpp s GLU 31 N 0.23 1.00 -0.02 0.43 2.56 0.35 -4.98 118.70 118.27 2kpp s GLU 31 Ca -0.15 -0.33 0.07 0.00 0.00 0.00 0.00 54.97 54.57 2kpp s GLU 31 Cb -0.17 -1.77 -0.02 0.00 2.00 0.00 0.00 34.13 34.17 2kpp s GLU 31 CO 0.07 -0.46 -0.24 -0.65 -0.56 0.00 0.00 175.26 173.43 2kpp s GLN 32 N 1.79 2.14 0.02 4.30 -0.21 -1.26 -0.00 119.66 126.43 2kpp s GLN 32 Ca 0.01 -0.91 -0.10 0.00 0.02 0.00 0.00 55.36 54.38 2kpp s GLN 32 Cb -0.15 -2.09 0.01 0.00 1.00 0.00 0.00 33.01 31.78 2kpp s GLN 32 CO -0.07 0.56 0.21 -0.59 -2.12 0.00 0.00 175.29 173.28 2kpp s PHE 33 N -0.66 -0.01 -0.23 0.91 -0.71 -1.07 -5.02 117.98 111.19 2kpp s PHE 33 Ca 0.11 -0.10 -0.03 0.00 -1.04 0.00 0.00 56.93 55.87 2kpp s PHE 33 Cb -0.10 -0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.72 2kpp s PHE 33 CO -0.00 -0.38 -0.06 0.99 -1.34 0.00 0.00 175.22 174.43 2kpp s THR 34 N -1.92 3.08 -0.50 -4.49 2.01 -1.26 -1.18 115.64 111.38 2kpp s THR 34 Ca -0.10 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.89 2kpp s THR 34 Cb -0.04 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 70.03 2kpp s THR 34 CO -0.00 0.32 0.90 -0.63 -0.69 0.00 0.00 174.62 174.51 2kpp s ILE 35 N 1.40 4.48 -0.52 1.82 1.01 0.14 -4.92 121.20 124.60 2kpp s ILE 35 Ca 0.03 0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.96 2kpp s ILE 35 Cb -0.15 -4.45 0.06 0.00 0.01 0.00 0.00 42.46 37.92 2kpp s ILE 35 CO -0.04 -0.92 0.69 -0.54 0.00 0.00 0.00 174.94 174.12 2kpp s LYS 36 N 3.73 3.15 -0.04 2.79 1.02 -1.26 -0.53 119.74 128.59 2kpp s LYS 36 Ca 0.33 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.48 2kpp s LYS 36 Cb -0.12 -4.10 -0.01 0.00 -0.52 0.00 0.00 37.83 33.08 2kpp s LYS 36 CO 0.23 -1.29 -0.06 0.41 -0.92 0.00 0.00 175.35 173.71 2kpp n GLY 37 N 5.17 -0.66 3.59 -3.33 0.00 -0.65 -5.03 105.19 104.29 2kpp n GLY 37 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.40 0.50 4.97 1.61 2.20 -1.13 -5.02 119.74 121.48 2kpp s LYS 38 Ca -0.05 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 2kpp s LYS 38 Cb 0.01 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2kpp s LYS 38 CO 0.07 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2kpp n GLY 39 N 4.55 0.88 0.70 5.54 0.00 -1.26 -0.69 105.19 114.90 2kpp n GLY 39 Ca -0.15 0.52 0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 9.09 2.68 -2.75 4.61 0.00 -1.26 -4.86 120.51 128.02 2kpp n ALA 40 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 2kpp n ALA 40 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.76 3.65 0.39 0.00 -0.21 0.14 -4.49 119.66 117.38 2kpp s GLN 41 Ca 0.21 -1.56 0.08 0.00 0.02 0.00 0.00 55.36 54.11 2kpp s GLN 41 Cb 0.16 -5.15 -0.05 0.00 1.00 0.00 0.00 33.01 28.97 2kpp s GLN 41 CO 0.30 -1.99 0.17 1.52 -2.12 0.00 0.00 175.29 173.17 2kpp s TYR 42 N 3.69 2.63 -0.16 0.91 1.13 -1.26 -1.63 117.35 122.66 2kpp s TYR 42 Ca 0.40 -0.52 -0.03 0.00 -1.41 0.00 0.00 57.07 55.52 2kpp s TYR 42 Cb -0.02 -1.86 0.05 0.00 -1.10 0.00 0.00 41.96 39.03 2kpp s TYR 42 CO -0.08 0.22 0.04 -0.80 -2.51 0.00 0.00 175.55 172.42 2kpp s ASN 43 N -3.89 2.46 -0.45 -0.18 -0.87 0.31 -3.29 114.94 109.02 2kpp s ASN 43 Ca 0.40 -0.59 -0.24 0.00 -1.57 0.00 0.00 52.86 50.87 2kpp s ASN 43 Cb 0.02 -0.49 0.03 0.00 -0.02 0.00 0.00 41.25 40.78 2kpp s ASN 43 CO 0.23 -0.28 0.82 -0.22 -2.57 0.00 0.00 177.10 175.07 2kpp s LEU 44 N 1.94 4.19 0.23 0.60 2.96 -0.36 -0.68 118.68 127.56 2kpp s LEU 44 Ca 0.01 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 2kpp s LEU 44 Cb -0.16 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 2kpp s LEU 44 CO -0.07 -0.95 0.33 -0.04 -1.32 0.00 0.00 176.35 174.29 2kpp s MET 45 N 3.41 3.37 -0.12 1.98 -1.94 -0.33 -0.01 119.30 125.67 2kpp s MET 45 Ca 0.32 -0.77 -0.07 0.00 -1.71 0.00 0.00 55.69 53.45 2kpp s MET 45 Cb -0.12 -2.86 0.04 0.00 2.01 0.00 0.00 34.83 33.91 2kpp s MET 45 CO 0.24 0.44 0.28 -2.00 -0.01 0.00 0.00 175.02 173.97 2kpp s GLU 46 N -3.86 0.27 -0.29 2.03 2.12 0.31 -2.61 118.70 116.66 2kpp s GLU 46 Ca 0.34 0.54 0.02 0.00 0.36 0.00 0.00 54.97 56.23 2kpp s GLU 46 Cb -0.09 -0.04 0.07 0.00 0.26 0.00 0.00 34.13 34.32 2kpp s GLU 46 CO 0.28 -0.13 -0.03 0.08 -0.54 0.00 0.00 175.26 174.92 2kpp s VAL 47 N 1.04 2.48 -0.45 3.70 1.01 1.00 -0.65 120.40 128.53 2kpp s VAL 47 Ca -0.07 -1.72 0.03 0.00 0.00 0.00 0.00 61.98 60.22 2kpp s VAL 47 Cb -0.08 -2.53 0.12 0.00 0.00 0.00 0.00 36.38 33.89 2kpp s VAL 47 CO -0.07 -0.19 0.19 -0.62 0.00 0.00 0.00 175.10 174.40 2kpp s ASP 48 N 1.15 4.34 -0.35 3.32 -1.08 0.28 -0.50 116.67 123.83 2kpp s ASP 48 Ca -0.03 -2.64 -0.05 0.00 -0.52 0.00 0.00 52.55 49.30 2kpp s ASP 48 Cb -0.20 -1.51 0.01 0.00 -1.46 0.00 0.00 42.92 39.75 2kpp s ASP 48 CO -0.04 -0.29 0.39 0.61 0.52 0.00 0.00 175.17 176.36 2kpp n GLY 49 N 3.59 -0.98 2.70 2.66 0.00 -0.45 -4.00 105.19 108.71 2kpp n GLY 49 Ca 0.05 0.49 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.89 -1.57 -3.86 1.61 1.02 0.11 -4.95 120.64 112.12 2kpp n GLU 50 Ca 0.04 1.01 -0.11 0.00 -0.02 0.00 0.00 57.16 58.08 2kpp n GLU 50 Cb 0.38 -5.40 -0.11 0.00 -0.02 0.00 0.00 31.44 26.29 2kpp n GLU 50 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kpp s ARG 51 N -3.23 0.36 0.07 3.49 1.70 -1.26 -4.64 118.95 115.45 2kpp s ARG 51 Ca 0.00 -0.22 0.07 0.00 -0.47 0.00 0.00 55.73 55.11 2kpp s ARG 51 Cb 0.00 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 2kpp s ARG 51 CO 0.00 -0.08 -0.18 -1.50 -1.08 0.00 0.00 175.30 172.46 2kpp s ILE 52 N -0.90 1.44 0.26 4.99 2.07 -0.28 -0.56 121.20 128.23 2kpp s ILE 52 Ca -0.10 -1.31 -0.21 0.00 -1.41 0.00 0.00 60.65 57.63 2kpp s ILE 52 Cb -0.06 -1.31 0.02 0.00 0.13 0.00 0.00 42.46 41.25 2kpp s ILE 52 CO 0.01 -0.03 0.69 0.00 -1.91 0.00 0.00 174.94 173.70 2kpp s ARG 53 N -1.56 1.72 -0.13 3.50 1.04 0.18 -0.97 118.95 122.72 2kpp s ARG 53 Ca 0.04 -0.94 -0.17 0.00 -1.04 0.00 0.00 55.73 53.62 2kpp s ARG 53 Cb -0.09 0.60 -0.04 0.00 -2.04 0.00 0.00 34.95 33.37 2kpp s ARG 53 CO 0.03 -0.78 0.41 0.42 -0.04 0.00 0.00 175.30 175.34 2kpp s ILE 54 N -3.91 5.23 -0.11 4.99 1.01 -1.26 -0.53 121.20 126.62 2kpp s ILE 54 Ca 0.10 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.31 2kpp s ILE 54 Cb -0.05 -3.75 -0.28 0.00 0.01 0.00 0.00 42.46 38.39 2kpp s ILE 54 CO 0.05 0.35 0.77 0.11 0.00 0.00 0.00 174.94 176.22 2kpp h LYS 55 N 6.67 0.12 -1.40 2.79 1.57 -0.75 -3.42 116.57 122.15 2kpp h LYS 55 Ca -0.41 -0.21 0.12 0.00 -1.87 0.00 0.00 60.65 58.28 2kpp h LYS 55 Cb 1.17 0.08 -0.27 0.00 0.08 0.00 0.00 32.23 33.29 2kpp h LYS 55 CO 0.75 1.10 0.64 -2.00 -0.57 0.00 0.00 179.45 179.38 2kpp s GLU 56 N -2.32 0.38 0.25 3.15 2.12 -1.21 -5.02 118.70 116.06 2kpp s GLU 56 Ca -0.18 0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.45 2kpp s GLU 56 Cb -0.01 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 2kpp s GLU 56 CO 0.74 -0.08 0.25 -0.40 -0.54 0.00 0.00 175.26 175.23 2kpp n ASP 57 N 1.36 -0.66 -3.99 -1.70 5.75 -1.26 -1.22 116.55 114.82 2kpp n ASP 57 Ca -0.09 -2.59 -0.32 0.00 -0.01 0.00 0.00 54.79 51.78 2kpp n ASP 57 Cb 0.57 1.43 -0.11 0.00 -1.03 0.00 0.00 41.12 41.99 2kpp n ASP 57 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2kpp s ASN 58 N -2.72 5.04 0.10 -1.12 0.01 -1.21 -5.00 114.94 110.04 2kpp s ASN 58 Ca 0.28 -3.51 0.05 0.00 -0.71 0.00 0.00 52.86 48.97 2kpp s ASN 58 Cb 0.01 -1.73 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 2kpp s ASN 58 CO 0.20 -0.18 -0.13 -0.55 -1.51 0.00 0.00 177.10 174.93 2kpp s SER 59 N -0.61 1.75 0.20 -1.22 0.15 -1.26 -4.60 113.70 108.11 2kpp s SER 59 Ca 0.23 -0.73 0.24 0.00 0.70 0.00 0.00 55.95 56.39 2kpp s SER 59 Cb -0.12 -0.05 0.91 0.00 -1.71 0.00 0.00 66.02 65.05 2kpp s SER 59 CO -0.10 -0.14 1.72 -0.81 1.20 0.00 0.00 173.24 175.11 2kpp n PRO 60 N 0.86 0.18 -0.12 5.44 -0.04 -1.26 -4.00 135.00 136.07 2kpp n PRO 60 Ca -0.18 0.31 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 2kpp n PRO 60 Cb 0.56 -1.79 -0.08 0.00 -0.04 0.00 0.00 33.50 32.15 2kpp n PRO 60 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kpp n ASP 61 N -2.12 1.71 -2.42 3.54 9.92 -1.26 -5.01 116.55 120.91 2kpp n ASP 61 Ca 0.04 0.30 -0.14 0.00 -0.53 0.00 0.00 54.79 54.45 2kpp n ASP 61 Cb 0.29 -0.71 -0.01 0.00 -0.64 0.00 0.00 41.12 40.06 2kpp n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kpp n GLN 62 N -4.11 -2.11 -0.15 -1.24 6.02 -1.26 -4.85 117.38 109.69 2kpp n GLN 62 Ca -0.44 0.68 0.05 0.00 -0.01 0.00 0.00 57.00 57.27 2kpp n GLN 62 Cb 0.80 -5.28 0.35 0.00 1.02 0.00 0.00 30.24 27.13 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 0.00 1.07 -0.55 5.09 2.07 -1.95 -2.82 116.25 119.16 2kpp h VAL 63 Ca -0.33 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2kpp h VAL 63 Cb 1.24 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2kpp h VAL 63 CO 0.39 0.14 0.29 1.23 0.02 0.00 0.00 177.57 179.64 2kpp h GLY 64 N 0.76 0.79 1.04 2.17 0.00 -1.89 -0.61 103.07 105.34 2kpp h GLY 64 Ca 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2kpp h GLY 64 CO -0.08 0.13 0.39 -2.08 0.00 0.00 0.00 176.54 174.90 2kpp h VAL 65 N 0.55 1.26 0.00 4.60 2.07 -1.76 -2.64 116.25 120.34 2kpp h VAL 65 Ca 0.24 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 2kpp h VAL 65 Cb 0.15 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2kpp h VAL 65 CO -0.16 0.32 -0.35 0.11 0.02 0.00 0.00 177.57 177.51 2kpp h LYS 66 N 1.21 0.00 -0.97 1.57 1.57 -1.35 -3.05 116.57 115.55 2kpp h LYS 66 Ca 0.29 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.18 2kpp h LYS 66 Cb 0.14 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 2kpp h LYS 66 CO -0.03 0.35 0.62 0.52 -0.57 0.00 0.00 179.45 180.33 2kpp h MET 67 N 0.00 0.93 0.00 3.15 2.86 -0.74 -3.48 114.93 117.64 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 0.74 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2kpp h MET 67 CO 0.05 0.61 0.00 0.41 1.06 0.00 0.00 176.91 179.04 2kpp n GLY 68 N -1.37 -2.21 3.63 8.32 0.00 -1.16 -4.92 105.19 107.48 2kpp n GLY 68 Ca 0.18 -1.50 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 2kpp n GLY 68 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kpp n TRP 69 N -0.55 1.73 -4.09 1.61 7.02 -1.26 -4.75 117.44 117.14 2kpp n TRP 69 Ca 0.00 0.60 -0.14 0.00 -1.02 0.00 0.00 57.50 56.94 2kpp n TRP 69 Cb 0.00 -2.34 -0.12 0.00 -2.42 0.00 0.00 31.31 26.43 2kpp n TRP 69 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2kpp s LYS 70 N -1.23 0.54 0.00 -0.99 -0.14 -0.15 -4.98 119.74 112.79 2kpp s LYS 70 Ca 0.62 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 2kpp s LYS 70 Cb -0.68 -0.36 0.00 0.00 -1.68 0.00 0.00 37.83 35.12 2kpp s LYS 70 CO 0.57 0.07 0.21 -1.13 -0.76 0.00 0.00 175.35 174.31 2kpp n SER 71 N 1.70 0.00 -4.87 2.83 3.41 -1.26 -1.12 113.62 114.31 2kpp n SER 71 Ca -0.21 -0.46 -0.33 0.00 -0.26 0.00 0.00 58.87 57.61 2kpp n SER 71 Cb 0.55 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 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 3.31 -0.86 4.33 -0.14 -1.26 -5.01 119.74 120.11 2kpp s LYS 72 Ca 0.00 -0.40 -0.26 0.00 -1.36 0.00 0.00 55.97 53.95 2kpp s LYS 72 Cb 0.00 -3.01 -0.12 0.00 -1.68 0.00 0.00 37.83 33.02 2kpp s LYS 72 CO 0.00 0.65 2.25 0.00 -0.76 0.00 0.00 175.35 177.49 2kpp s ALA 73 N -1.32 0.96 0.00 5.17 0.00 -1.26 -1.75 121.76 123.57 2kpp s ALA 73 Ca 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2kpp s ALA 73 Cb -0.12 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.41 2kpp s ALA 73 CO 0.19 -5.70 0.00 0.41 0.00 0.00 0.00 175.76 170.66 2kpp n GLY 74 N 6.74 0.88 3.72 0.00 0.00 0.12 -4.94 105.19 111.72 2kpp n GLY 74 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 2kpp n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpp n ASP 75 N 0.00 3.13 -3.95 1.61 8.00 -0.71 -4.70 116.55 119.93 2kpp n ASP 75 Ca 0.00 1.21 -0.12 0.00 0.71 0.00 0.00 54.79 56.59 2kpp n ASP 75 Cb 0.00 -1.53 -0.13 0.00 -0.02 0.00 0.00 41.12 39.44 2kpp n ASP 75 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2kpp s THR 76 N -1.01 0.18 -0.10 -3.53 -4.23 -1.26 -0.65 115.64 105.04 2kpp s THR 76 Ca 0.56 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2kpp s THR 76 Cb -0.54 -0.24 0.01 0.00 1.34 0.00 0.00 72.50 73.07 2kpp s THR 76 CO 0.62 -0.21 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.66 2kpp s ILE 77 N -0.72 1.75 -0.25 2.99 -1.09 0.45 -4.98 121.20 119.35 2kpp s ILE 77 Ca -0.07 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.49 2kpp s ILE 77 Cb -0.05 -1.55 0.01 0.00 -1.58 0.00 0.00 42.46 39.28 2kpp s ILE 77 CO -0.00 0.49 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.50 2kpp s VAL 78 N 0.65 3.42 -0.81 2.92 1.01 -1.26 -1.33 120.40 125.00 2kpp s VAL 78 Ca -0.13 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2kpp s VAL 78 Cb -0.16 -2.67 0.23 0.00 0.00 0.00 0.00 36.38 33.77 2kpp s VAL 78 CO 0.03 0.26 0.79 0.00 0.00 0.00 0.00 175.10 176.18 2kpp h LEU 80 N 5.32 -0.73 -2.71 0.00 6.46 -1.96 0.27 115.31 121.96 2kpp h LEU 80 Ca 0.17 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 2kpp h LEU 80 Cb 0.74 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 2kpp h LEU 80 CO 0.87 -0.33 0.02 1.55 -0.62 0.00 0.00 178.44 179.93 2kpp h PRO 81 N -0.42 0.00 -0.02 5.25 0.13 -1.95 -0.64 132.00 134.35 2kpp h PRO 81 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2kpp h PRO 81 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2kpp h PRO 81 CO -0.19 0.00 -0.17 0.72 -0.23 0.00 0.00 178.00 178.13 2kpp n HIS 82 N -3.45 0.00 -2.35 1.56 8.25 -0.83 -4.98 115.22 113.42 2kpp n HIS 82 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 2kpp n HIS 82 Cb 0.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 0.54 -1.66 -4.28 -0.41 5.02 0.00 -4.76 118.16 112.61 2kpp n LYS 83 Ca 0.09 1.03 -0.34 0.00 -2.02 0.00 0.00 58.31 57.07 2kpp n LYS 83 Cb 0.42 -5.68 -0.09 0.00 -0.02 0.00 0.00 35.03 29.66 2kpp n LYS 83 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kpp s VAL 84 N -3.03 4.44 -0.07 -0.18 1.01 -0.71 -0.84 120.40 121.02 2kpp s VAL 84 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2kpp s VAL 84 Cb 0.00 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.50 2kpp s VAL 84 CO 0.00 0.52 0.14 0.12 0.00 0.00 0.00 175.10 175.89 2kpp s PHE 85 N -0.98 -0.16 -0.10 5.22 5.36 0.50 -0.64 117.98 127.18 2kpp s PHE 85 Ca 0.16 0.50 0.02 0.00 -0.96 0.00 0.00 56.93 56.65 2kpp s PHE 85 Cb -0.12 -0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.39 2kpp s PHE 85 CO 0.06 -0.20 -0.16 0.08 -1.46 0.00 0.00 175.22 173.54 2kpp s VAL 86 N 1.55 2.84 -0.02 3.12 1.01 -0.44 -0.90 120.40 127.56 2kpp s VAL 86 Ca -0.05 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2kpp s VAL 86 Cb -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2kpp s VAL 86 CO -0.06 0.55 -0.09 -1.83 0.00 0.00 0.00 175.10 173.67 2kpp s GLU 87 N -0.01 0.91 -0.35 2.72 -1.05 -0.60 -0.41 118.70 119.90 2kpp s GLU 87 Ca -0.05 -0.31 -0.09 0.00 -0.15 0.00 0.00 54.97 54.38 2kpp s GLU 87 Cb -0.14 -0.86 0.03 0.00 -0.44 0.00 0.00 34.13 32.72 2kpp s GLU 87 CO 0.04 0.13 0.16 0.42 0.95 0.00 0.00 175.26 176.96 2kpp s ILE 88 N 0.10 4.27 0.34 1.83 1.01 0.17 -0.37 121.20 128.55 2kpp s ILE 88 Ca -0.02 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.82 2kpp s ILE 88 Cb -0.07 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 2kpp s ILE 88 CO 0.00 -0.17 -0.03 -1.59 0.00 0.00 0.00 174.94 173.15 2kpp s LYS 89 N 1.50 1.97 0.33 2.79 -2.85 -0.38 0.16 119.74 123.27 2kpp s LYS 89 Ca 0.01 -1.81 -0.16 0.00 -1.00 0.00 0.00 55.97 53.01 2kpp s LYS 89 Cb -0.19 -1.85 -0.09 0.00 -2.06 0.00 0.00 37.83 33.64 2kpp s LYS 89 CO 0.05 0.15 0.76 0.45 0.10 0.00 0.00 175.35 176.86 2kpp s SER 90 N -3.67 6.81 0.23 0.03 0.15 -1.26 -0.42 113.70 115.57 2kpp s SER 90 Ca 0.34 1.33 0.12 0.00 0.70 0.00 0.00 55.95 58.44 2kpp s SER 90 Cb 0.01 -2.39 0.10 0.00 -1.71 0.00 0.00 66.02 62.02 2kpp s SER 90 CO 0.18 -0.21 1.45 0.71 1.20 0.00 0.00 173.24 176.57 2kpp h THR 91 N 1.99 1.28 -3.64 6.45 1.35 -1.55 -3.46 112.91 115.33 2kpp h THR 91 Ca -0.48 -2.57 -0.47 0.00 -0.55 0.00 0.00 66.41 62.34 2kpp h THR 91 Cb 1.18 2.47 0.06 0.00 -1.73 0.00 0.00 68.15 70.13 2kpp h THR 91 CO 0.65 0.68 0.18 -1.10 -0.25 0.00 0.00 175.52 175.68 2kpp s GLN 92 N -3.06 2.80 -0.10 4.72 -1.52 -1.26 -5.04 119.66 116.20 2kpp s GLN 92 Ca 0.01 -0.06 -0.29 0.00 -1.95 0.00 0.00 55.36 53.07 2kpp s GLN 92 Cb 0.10 -2.26 -0.01 0.00 -0.22 0.00 0.00 33.01 30.61 2kpp s GLN 92 CO 0.77 -0.79 0.97 0.15 -0.25 0.00 0.00 175.29 176.14 2kpp s LYS 93 N -5.03 4.42 0.48 2.91 1.02 -1.26 -5.05 119.74 117.23 2kpp s LYS 93 Ca 0.55 1.33 0.06 0.00 0.02 0.00 0.00 55.97 57.93 2kpp s LYS 93 Cb -0.11 -3.53 0.06 0.00 -0.52 0.00 0.00 37.83 33.73 2kpp s LYS 93 CO 0.45 -0.27 0.49 -0.25 -0.92 0.00 0.00 175.35 174.84 2kpp n ASP 94 N 4.87 2.22 -2.36 2.83 8.00 -1.26 -5.01 116.55 125.83 2kpp n ASP 94 Ca 0.08 -2.49 -0.24 0.00 0.71 0.00 0.00 54.79 52.84 2kpp n ASP 94 Cb 0.49 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 2kpp n ASP 94 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kpp n SER 95 N -2.09 6.27 -4.72 -2.24 2.88 -1.26 -4.96 113.62 107.51 2kpp n SER 95 Ca 0.05 -3.08 -0.23 0.00 -1.33 0.00 0.00 58.87 54.27 2kpp n SER 95 Cb 0.53 -1.25 0.10 0.00 -0.75 0.00 0.00 64.21 62.84 2kpp n SER 95 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2kpp s LYS 96 N -1.30 1.81 0.42 -1.46 1.02 -1.26 -5.08 119.74 113.89 2kpp s LYS 96 Ca 0.58 -1.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.31 2kpp s LYS 96 Cb 0.36 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 35.24 2kpp s LYS 96 CO -0.17 -1.34 1.06 -0.51 -0.92 0.00 0.00 175.35 173.47 2kpp s ASP 97 N -4.68 6.61 0.13 2.83 1.11 -1.26 -4.98 116.67 116.42 2kpp s ASP 97 Ca 0.65 2.06 -0.24 0.00 0.18 0.00 0.00 52.55 55.20 2kpp s ASP 97 Cb -0.06 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 2kpp s ASP 97 CO 0.44 -0.60 1.65 -0.65 1.18 0.00 0.00 175.17 177.19 2kpp h PRO 98 N 2.29 -0.28 -2.36 8.23 0.11 -2.00 -3.47 132.00 134.51 2kpp h PRO 98 Ca -0.49 0.02 0.24 0.00 0.11 0.00 0.00 66.00 65.88 2kpp h PRO 98 Cb 1.22 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 2kpp h PRO 98 CO 0.61 -0.19 0.73 0.16 -0.21 0.00 0.00 178.00 179.10 2kpp s ASP 99 N -4.97 0.01 -0.15 -2.05 -4.77 -1.26 -5.18 116.67 98.29 2kpp s ASP 99 Ca -0.15 -0.47 -0.09 0.00 -3.30 0.00 0.00 52.55 48.54 2kpp s ASP 99 Cb 0.10 0.35 0.05 0.00 -1.09 0.00 0.00 42.92 42.33 2kpp s ASP 99 CO 0.67 -0.69 0.37 0.28 0.70 0.00 0.00 175.17 176.49 2kpp s THR 100 N -2.09 -0.03 -0.04 2.11 -1.32 -1.26 -5.16 115.64 107.85 2kpp s THR 100 Ca 0.25 0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.86 2kpp s THR 100 Cb -0.02 -0.54 0.01 0.00 -1.51 0.00 0.00 72.50 70.43 2kpp s THR 100 CO 0.03 0.04 -0.12 -0.62 -2.21 0.00 0.00 174.62 171.74 2kpp s ASP 101 N 1.25 1.60 0.07 8.08 2.15 -1.26 -5.14 116.67 123.41 2kpp s ASP 101 Ca -0.09 -0.26 -0.27 0.00 0.43 0.00 0.00 52.55 52.37 2kpp s ASP 101 Cb -0.08 -0.55 0.09 0.00 -0.30 0.00 0.00 42.92 42.07 2kpp s ASP 101 CO -0.10 0.07 0.84 -1.48 -0.17 0.00 0.00 175.17 174.32 2kpp s LEU 102 N 0.34 -0.37 -0.30 -1.34 0.05 -1.26 -5.14 118.68 110.66 2kpp s LEU 102 Ca -0.07 -0.10 -0.01 0.00 0.05 0.00 0.00 54.13 54.00 2kpp s LEU 102 Cb -0.12 2.19 0.06 0.00 -2.05 0.00 0.00 46.19 46.27 2kpp s LEU 102 CO 0.02 -0.77 0.01 -0.63 -0.55 0.00 0.00 176.35 174.43 2kpp s ILE 103 N -3.31 2.93 0.32 1.48 -1.09 -1.26 -5.11 121.20 115.17 2kpp s ILE 103 Ca 0.06 -1.47 -0.27 0.00 -2.23 0.00 0.00 60.65 56.74 2kpp s ILE 103 Cb -0.01 -2.72 -0.09 0.00 -1.58 0.00 0.00 42.46 38.05 2kpp s ILE 103 CO -0.07 -0.15 1.06 0.68 -1.23 0.00 0.00 174.94 175.23 2kpp s VAL 104 N 1.23 3.65 -0.17 2.92 -7.23 -1.26 -4.97 120.40 114.56 2kpp s VAL 104 Ca -0.04 1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 61.34 2kpp s VAL 104 Cb -0.20 -3.90 -0.05 0.00 0.56 0.00 0.00 36.38 32.79 2kpp s VAL 104 CO -0.02 0.24 2.03 -2.84 -0.31 0.00 0.00 175.10 174.20 2kpp s PRO 105 N -1.81 3.49 0.18 4.82 0.02 -1.26 -4.96 135.00 135.48 2kpp s PRO 105 Ca 0.49 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 2kpp s PRO 105 Cb -0.27 -4.26 -0.08 0.00 0.02 0.00 0.00 34.50 29.91 2kpp s PRO 105 CO 0.35 -1.69 1.05 1.21 -0.33 0.00 0.00 177.00 177.58 2kpp s ASN 106 N 6.56 7.37 0.56 2.53 2.47 -1.26 -5.05 114.94 128.11 2kpp s ASN 106 Ca 0.91 2.03 -0.06 0.00 0.42 0.00 0.00 52.86 56.16 2kpp s ASN 106 Cb -0.33 -2.60 -0.01 0.00 -1.45 0.00 0.00 41.25 36.86 2kpp s ASN 106 CO 0.36 -0.12 0.87 -1.48 -3.72 0.00 0.00 177.10 173.01 2kpp s LEU 107 N -0.54 3.37 0.00 3.21 0.05 -1.26 -5.11 118.68 118.40 2kpp s LEU 107 Ca 0.47 0.86 0.03 0.00 0.05 0.00 0.00 54.13 55.53 2kpp s LEU 107 Cb -0.28 -3.75 0.11 0.00 -2.05 0.00 0.00 46.19 40.23 2kpp s LEU 107 CO 0.34 -0.88 0.82 -1.84 -0.55 0.00 0.00 176.35 174.24 2kpp n GLU 108 N -2.49 0.19 -3.52 1.48 0.28 -1.26 -5.12 120.64 110.20 2kpp n GLU 108 Ca 0.03 -2.50 -0.23 0.00 -0.16 0.00 0.00 57.16 54.30 2kpp n GLU 108 Cb 0.56 -0.46 -0.14 0.00 1.43 0.00 0.00 31.44 32.83 2kpp n GLU 108 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kpp s HIS 109 N -2.52 -0.02 -1.20 -1.84 3.76 -1.26 -5.07 115.29 107.15 2kpp s HIS 109 Ca 0.57 -0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 54.97 2kpp s HIS 109 Cb -0.04 -0.62 0.02 0.00 1.11 0.00 0.00 32.58 33.06 2kpp s HIS 109 CO 0.37 -0.70 1.75 -1.58 -0.85 0.00 0.00 174.74 173.73 2kpp s HIS 110 N 2.22 2.47 0.05 1.40 2.46 -1.26 -4.92 115.29 117.71 2kpp s HIS 110 Ca 0.07 -0.84 0.03 0.00 0.47 0.00 0.00 55.06 54.79 2kpp s HIS 110 Cb -0.16 -4.52 -0.02 0.00 -0.13 0.00 0.00 32.58 27.75 2kpp s HIS 110 CO -0.22 -1.69 -0.10 -1.58 -2.47 0.00 0.00 174.74 168.69 2kpp s HIS 111 N 6.38 0.86 0.23 3.88 5.04 -1.26 -5.17 115.29 125.25 2kpp s HIS 111 Ca 0.57 -0.47 0.11 0.00 -1.54 0.00 0.00 55.06 53.73 2kpp s HIS 111 Cb 0.01 -0.50 -0.05 0.00 0.04 0.00 0.00 32.58 32.09 2kpp s HIS 111 CO 0.05 -0.03 -0.19 -1.01 -2.34 0.00 0.00 174.74 171.22 2kpp s HIS 112 N -1.28 2.11 0.27 3.88 3.76 -1.26 -5.14 115.29 117.62 2kpp s HIS 112 Ca -0.07 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.23 2kpp s HIS 112 Cb -0.10 -0.96 -0.09 0.00 1.11 0.00 0.00 32.58 32.54 2kpp s HIS 112 CO 0.01 0.56 0.80 -1.01 -0.85 0.00 0.00 174.74 174.25 2kpp s HIS 113 N -2.40 3.62 0.00 1.40 3.76 -1.26 -5.32 115.29 115.09 2kpp s HIS 113 Ca 0.25 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 2kpp s HIS 113 Cb -0.05 -2.71 0.00 0.00 1.11 0.00 0.00 32.58 30.93 2kpp s HIS 113 CO 0.11 0.25 0.37 0.72 -0.85 0.00 0.00 174.74 175.35