#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 0.13 0.48 3.17 -0.14 -1.26 -5.15 119.74 116.97 2kpp s LYS 2 Ca 0.00 0.05 -0.20 0.00 -1.36 0.00 0.00 55.97 54.46 2kpp s LYS 2 Cb 0.00 -1.36 -0.09 0.00 -1.68 0.00 0.00 37.83 34.70 2kpp s LYS 2 CO 0.00 -0.53 1.00 1.21 -0.76 0.00 0.00 175.35 176.27 2kpp s ASN 3 N 2.10 6.58 0.14 2.83 3.84 -1.26 -4.92 114.94 124.24 2kpp s ASN 3 Ca 0.03 1.77 -0.11 0.00 0.21 0.00 0.00 52.86 54.76 2kpp s ASN 3 Cb -0.14 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 37.96 2kpp s ASN 3 CO -0.07 -0.62 1.46 0.71 -2.79 0.00 0.00 177.10 175.80 2kpp h THR 4 N 1.51 1.27 0.00 -5.21 1.35 -1.93 -3.47 112.91 106.43 2kpp h THR 4 Ca -0.49 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 2kpp h THR 4 Cb 1.20 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2kpp h THR 4 CO 0.60 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.00 2kpp n GLY 5 N 0.16 0.84 3.07 5.82 0.00 -1.26 -4.99 105.19 108.83 2kpp n GLY 5 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2kpp n GLY 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kpp s ASP 6 N -2.79 0.01 -0.66 1.61 -1.08 -1.26 -5.10 116.67 107.40 2kpp s ASP 6 Ca 0.00 -0.13 -0.26 0.00 -0.52 0.00 0.00 52.55 51.65 2kpp s ASP 6 Cb 0.00 0.21 -0.05 0.00 -1.46 0.00 0.00 42.92 41.62 2kpp s ASP 6 CO 0.00 -0.28 2.08 -1.61 0.52 0.00 0.00 175.17 175.88 2kpp s GLU 7 N -1.03 2.35 0.11 4.34 2.02 -1.26 -4.76 118.70 120.46 2kpp s GLU 7 Ca -0.11 0.62 0.02 0.00 0.02 0.00 0.00 54.97 55.53 2kpp s GLU 7 Cb -0.06 -4.62 -0.04 0.00 0.10 0.00 0.00 34.13 29.51 2kpp s GLU 7 CO 0.01 -3.21 0.17 0.14 0.02 0.00 0.00 175.26 172.39 2kpp s VAL 8 N 10.77 4.93 0.01 2.63 -7.23 -1.26 -0.28 120.40 129.97 2kpp s VAL 8 Ca 0.79 -0.71 0.05 0.00 -1.81 0.00 0.00 61.98 60.30 2kpp s VAL 8 Cb -0.13 -3.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.35 2kpp s VAL 8 CO 0.16 0.03 -0.17 0.68 -0.31 0.00 0.00 175.10 175.50 2kpp s VAL 9 N -1.57 1.33 -0.32 1.32 -7.23 0.65 -1.17 120.40 113.40 2kpp s VAL 9 Ca 0.32 -0.88 -0.20 0.00 -1.81 0.00 0.00 61.98 59.42 2kpp s VAL 9 Cb -0.12 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.68 2kpp s VAL 9 CO 0.25 0.25 0.59 0.00 -0.31 0.00 0.00 175.10 175.88 2kpp s ALA 10 N -0.58 3.50 -0.45 1.32 0.00 0.61 -1.93 121.76 124.23 2kpp s ALA 10 Ca 0.05 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 2kpp s ALA 10 Cb -0.07 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 20.02 2kpp s ALA 10 CO 0.00 -1.14 0.39 0.42 0.00 0.00 0.00 175.76 175.43 2kpp s ILE 11 N 2.56 5.21 -0.18 0.00 -1.09 0.10 -1.63 121.20 126.17 2kpp s ILE 11 Ca 0.23 -0.84 -0.13 0.00 -2.23 0.00 0.00 60.65 57.67 2kpp s ILE 11 Cb -0.15 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 2kpp s ILE 11 CO 0.13 -0.50 0.28 -0.63 -1.23 0.00 0.00 174.94 172.98 2kpp s ILE 12 N 1.76 5.31 0.13 2.92 1.09 0.95 -1.08 121.20 132.28 2kpp s ILE 12 Ca 0.06 0.50 0.05 0.00 -1.10 0.00 0.00 60.65 60.15 2kpp s ILE 12 Cb -0.22 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 2kpp s ILE 12 CO 0.09 0.37 -0.12 -0.44 -0.10 0.00 0.00 174.94 174.74 2kpp s SER 13 N 0.58 1.80 -0.10 3.58 0.01 0.12 -0.91 113.70 118.79 2kpp s SER 13 Ca 0.15 -0.88 -0.13 0.00 1.31 0.00 0.00 55.95 56.40 2kpp s SER 13 Cb -0.13 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.10 2kpp s SER 13 CO 0.04 -0.24 0.34 -1.58 0.41 0.00 0.00 173.24 172.21 2kpp s GLN 14 N -3.07 0.49 -2.13 12.44 0.74 0.62 -0.82 119.66 127.92 2kpp s GLN 14 Ca 0.11 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.81 2kpp s GLN 14 Cb -0.02 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.32 2kpp s GLN 14 CO 0.02 -0.09 0.00 0.09 -0.55 0.00 0.00 175.29 174.76 2kpp n ASN 15 N 2.42 -5.47 0.00 6.67 3.02 0.44 -1.81 115.26 120.53 2kpp n ASN 15 Ca -0.15 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 2kpp n ASN 15 Cb 0.57 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 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 -0.43 0.74 3.25 7.41 0.00 -1.26 -5.07 105.19 109.83 2kpp n GLY 16 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.57 1.06 0.16 1.61 -2.85 -0.75 -5.07 119.74 113.33 2kpp s LYS 17 Ca 0.00 -1.08 -0.31 0.00 -1.00 0.00 0.00 55.97 53.59 2kpp s LYS 17 Cb 0.00 -1.24 -0.09 0.00 -2.06 0.00 0.00 37.83 34.44 2kpp s LYS 17 CO 0.00 0.29 1.38 0.08 0.10 0.00 0.00 175.35 177.20 2kpp s VAL 18 N -1.15 3.16 0.00 1.79 1.01 -1.26 -0.28 120.40 123.67 2kpp s VAL 18 Ca 0.04 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2kpp s VAL 18 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2kpp s VAL 18 CO 0.03 0.10 0.00 2.30 0.00 0.00 0.00 175.10 177.53 2kpp n ILE 19 N 3.29 0.00 -3.63 2.22 -5.35 -0.09 -4.87 119.36 110.93 2kpp n ILE 19 Ca 0.09 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.45 2kpp n ILE 19 Cb 0.42 0.42 -0.07 0.00 -1.74 0.00 0.00 39.64 38.67 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 -1.74 0.81 -0.06 6.28 6.06 -0.67 -5.03 118.95 124.59 2kpp s ARG 20 Ca 0.00 1.04 -0.00 0.00 -2.50 0.00 0.00 55.73 54.27 2kpp s ARG 20 Cb 0.00 0.36 0.03 0.00 0.06 0.00 0.00 34.95 35.39 2kpp s ARG 20 CO 0.00 -0.11 -0.02 -1.21 -2.50 0.00 0.00 175.30 171.46 2kpp s GLU 21 N 0.62 0.74 -0.12 5.12 2.02 -1.26 -0.04 118.70 125.78 2kpp s GLU 21 Ca -0.02 -0.00 0.03 0.00 0.02 0.00 0.00 54.97 55.00 2kpp s GLU 21 Cb -0.05 -0.93 0.01 0.00 0.10 0.00 0.00 34.13 33.25 2kpp s GLU 21 CO -0.03 -0.20 -0.20 0.42 0.02 0.00 0.00 175.26 175.26 2kpp s ILE 22 N 1.49 1.85 -0.14 -1.63 1.09 -0.64 -4.98 121.20 118.24 2kpp s ILE 22 Ca -0.02 -0.87 -0.29 0.00 -1.10 0.00 0.00 60.65 58.37 2kpp s ILE 22 Cb -0.13 -1.64 -0.04 0.00 -1.06 0.00 0.00 42.46 39.59 2kpp s ILE 22 CO -0.03 0.51 1.59 -2.84 -0.10 0.00 0.00 174.94 174.07 2kpp s PRO 23 N 0.75 4.02 -0.11 2.79 0.02 -1.26 -0.28 135.00 140.93 2kpp s PRO 23 Ca -0.10 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 62.78 2kpp s PRO 23 Cb -0.16 -3.98 -0.01 0.00 0.02 0.00 0.00 34.50 30.37 2kpp s PRO 23 CO 0.01 -1.02 -0.08 -0.07 -0.33 0.00 0.00 177.00 175.51 2kpp h LEU 24 N 10.80 0.00 -8.99 -5.54 3.38 -1.49 -3.38 115.31 110.09 2kpp h LEU 24 Ca -0.35 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.03 2kpp h LEU 24 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kpp h LEU 24 CO 0.98 0.56 1.45 -0.89 0.09 0.00 0.00 178.44 180.62 2kpp s THR 25 N -1.79 3.07 0.00 0.22 2.01 -1.13 -0.81 115.64 117.21 2kpp s THR 25 Ca -0.06 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2kpp s THR 25 Cb 0.01 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2kpp s THR 25 CO 0.09 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2kpp n GLY 26 N 5.65 1.96 3.71 4.40 0.00 -1.26 -4.76 105.19 114.89 2kpp n GLY 26 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.33 3.18 0.18 1.61 5.04 0.01 -5.04 115.29 117.94 2kpp s HIS 27 Ca 0.00 0.99 0.05 0.00 -1.54 0.00 0.00 55.06 54.56 2kpp s HIS 27 Cb 0.00 -3.62 -0.04 0.00 0.04 0.00 0.00 32.58 28.96 2kpp s HIS 27 CO 0.00 -2.17 0.19 -1.59 -2.34 0.00 0.00 174.74 168.82 2kpp s LYS 28 N 1.44 3.04 1.76 2.88 -2.85 -1.26 -3.90 119.74 120.84 2kpp s LYS 28 Ca 0.63 -0.84 0.00 0.00 -1.00 0.00 0.00 55.97 54.76 2kpp s LYS 28 Cb -0.34 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.72 2kpp s LYS 28 CO 0.29 0.48 0.00 0.41 0.10 0.00 0.00 175.35 176.63 2kpp n GLY 29 N -0.56 -1.29 3.33 0.59 0.00 -1.26 -4.74 105.19 101.26 2kpp n GLY 29 Ca -0.08 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 3.28 -0.13 1.61 3.84 -1.26 -0.43 114.94 117.85 2kpp s ASN 30 Ca 0.00 -0.43 -0.04 0.00 0.21 0.00 0.00 52.86 52.60 2kpp s ASN 30 Cb 0.00 -0.67 0.06 0.00 -0.55 0.00 0.00 41.25 40.09 2kpp s ASN 30 CO 0.00 0.29 0.17 -0.70 -2.79 0.00 0.00 177.10 174.07 2kpp s GLU 31 N -0.43 0.09 -0.00 0.43 2.12 0.51 -5.00 118.70 116.41 2kpp s GLU 31 Ca 0.05 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.78 2kpp s GLU 31 Cb -0.12 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.47 2kpp s GLU 31 CO 0.01 -0.47 -0.09 -0.65 -0.54 0.00 0.00 175.26 173.53 2kpp s GLN 32 N 2.28 2.51 -0.09 4.30 -0.21 -1.26 -0.47 119.66 126.72 2kpp s GLN 32 Ca 0.04 -0.73 -0.08 0.00 0.02 0.00 0.00 55.36 54.61 2kpp s GLN 32 Cb -0.14 -2.46 0.03 0.00 1.00 0.00 0.00 33.01 31.44 2kpp s GLN 32 CO -0.08 0.60 0.24 -0.59 -2.12 0.00 0.00 175.29 173.35 2kpp s PHE 33 N -0.94 -0.28 -0.26 0.91 -0.71 -0.30 -5.02 117.98 111.38 2kpp s PHE 33 Ca 0.16 0.68 -0.08 0.00 -1.04 0.00 0.00 56.93 56.65 2kpp s PHE 33 Cb -0.11 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 2kpp s PHE 33 CO 0.06 -0.15 0.09 0.99 -1.34 0.00 0.00 175.22 174.87 2kpp s THR 34 N 0.36 4.49 -0.50 -4.49 2.01 -1.26 -1.08 115.64 115.17 2kpp s THR 34 Ca -0.02 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.66 2kpp s THR 34 Cb -0.03 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.42 2kpp s THR 34 CO -0.02 0.32 0.69 -0.63 -0.69 0.00 0.00 174.62 174.29 2kpp s ILE 35 N 1.64 4.78 -0.10 1.82 1.09 0.97 -4.93 121.20 126.47 2kpp s ILE 35 Ca 0.06 -0.26 -0.23 0.00 -1.10 0.00 0.00 60.65 59.12 2kpp s ILE 35 Cb -0.15 -4.33 -0.03 0.00 -1.06 0.00 0.00 42.46 36.89 2kpp s ILE 35 CO 0.05 -0.83 0.70 -0.54 -0.10 0.00 0.00 174.94 174.22 2kpp s LYS 36 N 2.90 4.38 0.61 2.79 1.02 -1.26 -0.31 119.74 129.87 2kpp s LYS 36 Ca 0.19 0.84 0.02 0.00 0.02 0.00 0.00 55.97 57.04 2kpp s LYS 36 Cb -0.17 -3.49 0.12 0.00 -0.52 0.00 0.00 37.83 33.77 2kpp s LYS 36 CO 0.14 -0.04 0.84 0.41 -0.92 0.00 0.00 175.35 175.79 2kpp n GLY 37 N 3.27 1.02 3.56 -3.33 0.00 -0.09 -4.93 105.19 104.69 2kpp n GLY 37 Ca -0.01 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 -4.68 2.29 0.00 1.61 2.47 -1.26 -4.33 119.74 115.84 2kpp s LYS 38 Ca 0.58 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 55.33 2kpp s LYS 38 Cb -0.04 -4.77 0.00 0.00 -1.46 0.00 0.00 37.83 31.57 2kpp s LYS 38 CO 0.38 -3.46 0.00 0.41 0.16 0.00 0.00 175.35 172.84 2kpp n GLY 39 N 6.45 0.38 0.99 5.54 0.00 -1.26 -4.47 105.19 112.81 2kpp n GLY 39 Ca 0.36 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.10 2.48 -1.85 4.61 0.00 -1.26 -4.85 120.51 119.54 2kpp n ALA 40 Ca 0.00 -1.41 -0.41 0.00 0.00 0.00 0.00 53.44 51.62 2kpp n ALA 40 Cb 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 2kpp n ALA 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kpp n GLN 41 N 0.73 3.42 -3.76 0.00 1.13 -1.26 -4.57 117.38 113.07 2kpp n GLN 41 Ca 0.18 -2.88 -0.24 0.00 -1.94 0.00 0.00 57.00 52.12 2kpp n GLN 41 Cb 0.61 -3.02 -0.02 0.00 0.11 0.00 0.00 30.24 27.91 2kpp n GLN 41 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2kpp s TYR 42 N 1.73 3.47 -0.04 1.08 1.13 -1.26 -0.92 117.35 122.55 2kpp s TYR 42 Ca 0.50 0.17 0.02 0.00 -1.41 0.00 0.00 57.07 56.36 2kpp s TYR 42 Cb 0.14 -1.73 0.01 0.00 -1.10 0.00 0.00 41.96 39.28 2kpp s TYR 42 CO -0.06 0.36 -0.10 -0.80 -2.51 0.00 0.00 175.55 172.44 2kpp s ASN 43 N -3.70 1.36 -0.40 -0.18 -0.87 0.58 -2.49 114.94 109.23 2kpp s ASN 43 Ca 0.37 -0.21 -0.10 0.00 -1.57 0.00 0.00 52.86 51.34 2kpp s ASN 43 Cb -0.10 -0.48 0.05 0.00 -0.02 0.00 0.00 41.25 40.71 2kpp s ASN 43 CO 0.31 0.04 0.24 -0.22 -2.57 0.00 0.00 177.10 174.90 2kpp s LEU 44 N 0.41 4.96 -0.24 0.60 2.96 0.10 -0.02 118.68 127.45 2kpp s LEU 44 Ca -0.07 -1.26 -0.16 0.00 -0.22 0.00 0.00 54.13 52.42 2kpp s LEU 44 Cb -0.11 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2kpp s LEU 44 CO 0.01 -0.47 0.40 -0.04 -1.32 0.00 0.00 176.35 174.93 2kpp s MET 45 N 1.49 4.10 -0.26 1.98 -1.94 -0.24 -1.02 119.30 123.41 2kpp s MET 45 Ca 0.02 0.15 -0.06 0.00 -1.71 0.00 0.00 55.69 54.09 2kpp s MET 45 Cb -0.21 -3.60 -0.01 0.00 2.01 0.00 0.00 34.83 33.02 2kpp s MET 45 CO 0.04 -0.17 0.05 -2.00 -0.01 0.00 0.00 175.02 172.94 2kpp s GLU 46 N 1.72 3.35 -0.44 2.03 2.12 0.56 -1.15 118.70 126.90 2kpp s GLU 46 Ca 0.18 -0.67 -0.18 0.00 0.36 0.00 0.00 54.97 54.66 2kpp s GLU 46 Cb -0.15 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 30.98 2kpp s GLU 46 CO 0.09 -0.31 0.48 0.08 -0.54 0.00 0.00 175.26 175.06 2kpp s VAL 47 N 1.54 5.05 -0.37 3.70 1.01 0.38 -1.38 120.40 130.33 2kpp s VAL 47 Ca 0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2kpp s VAL 47 Cb -0.16 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.18 2kpp s VAL 47 CO 0.02 -0.50 0.16 -0.62 0.00 0.00 0.00 175.10 174.15 2kpp s ASP 48 N 2.01 5.43 1.64 3.32 2.15 0.83 -0.36 116.67 131.69 2kpp s ASP 48 Ca 0.13 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 51.82 2kpp s ASP 48 Cb -0.18 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 2kpp s ASP 48 CO 0.13 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2kpp n GLY 49 N 4.84 1.02 0.76 2.66 0.00 0.43 -1.77 105.19 113.13 2kpp n GLY 49 Ca -0.11 0.49 0.03 0.00 0.00 0.00 0.00 46.02 46.43 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 1.77 -3.90 1.61 1.02 -1.25 -4.30 120.64 115.59 2kpp n GLU 50 Ca 0.00 -3.10 -0.11 0.00 -0.02 0.00 0.00 57.16 53.93 2kpp n GLU 50 Cb 0.00 -1.70 -0.11 0.00 -0.02 0.00 0.00 31.44 29.61 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 -3.15 0.35 0.04 3.49 1.70 -0.73 -4.62 118.95 116.03 2kpp s ARG 51 Ca 0.40 -0.37 0.05 0.00 -0.47 0.00 0.00 55.73 55.34 2kpp s ARG 51 Cb 0.37 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 2kpp s ARG 51 CO -0.01 -0.07 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.49 2kpp s ILE 52 N -1.13 1.16 0.22 4.99 2.07 -0.19 -0.12 121.20 128.20 2kpp s ILE 52 Ca -0.12 -1.02 -0.11 0.00 -1.41 0.00 0.00 60.65 57.99 2kpp s ILE 52 Cb -0.07 -1.04 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 2kpp s ILE 52 CO 0.00 0.02 0.40 0.00 -1.91 0.00 0.00 174.94 173.46 2kpp s ARG 53 N -1.14 1.43 -0.29 3.50 1.70 -0.48 -0.31 118.95 123.35 2kpp s ARG 53 Ca 0.02 -1.27 -0.15 0.00 -0.47 0.00 0.00 55.73 53.86 2kpp s ARG 53 Cb -0.08 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2kpp s ARG 53 CO 0.01 -0.57 0.36 0.42 -1.08 0.00 0.00 175.30 174.44 2kpp s ILE 54 N -4.02 5.18 -0.03 4.99 1.01 -1.26 -0.32 121.20 126.75 2kpp s ILE 54 Ca 0.23 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.25 2kpp s ILE 54 Cb 0.01 -3.72 -0.27 0.00 0.01 0.00 0.00 42.46 38.48 2kpp s ILE 54 CO 0.07 0.09 0.75 0.50 0.00 0.00 0.00 174.94 176.35 2kpp h LYS 55 N 8.27 0.25 -2.56 2.79 3.64 -1.44 -3.39 116.57 124.12 2kpp h LYS 55 Ca -0.31 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 58.54 2kpp h LYS 55 Cb 1.16 0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 32.90 2kpp h LYS 55 CO 0.65 1.10 -0.16 -2.00 -2.27 0.00 0.00 179.45 176.77 2kpp s GLU 56 N -2.60 0.55 -0.00 1.90 2.56 -1.24 -4.95 118.70 114.91 2kpp s GLU 56 Ca -0.11 0.70 -0.20 0.00 0.00 0.00 0.00 54.97 55.35 2kpp s GLU 56 Cb 0.07 0.24 0.04 0.00 2.00 0.00 0.00 34.13 36.48 2kpp s GLU 56 CO 0.84 -0.08 0.44 0.16 -0.56 0.00 0.00 175.26 176.06 2kpp s ASP 57 N 0.40 -0.35 -1.06 -1.70 1.47 -1.26 0.01 116.67 114.19 2kpp s ASP 57 Ca -0.01 0.23 -0.05 0.00 1.18 0.00 0.00 52.55 53.89 2kpp s ASP 57 Cb -0.04 0.41 0.29 0.00 -0.34 0.00 0.00 42.92 43.24 2kpp s ASP 57 CO -0.01 -0.56 1.24 -3.20 0.68 0.00 0.00 175.17 173.32 2kpp n ASN 58 N 0.93 5.74 -4.30 2.11 5.15 -1.04 -4.97 115.26 118.88 2kpp n ASN 58 Ca -0.20 -3.24 -0.24 0.00 -0.60 0.00 0.00 54.58 50.30 2kpp n ASN 58 Cb 0.57 -1.26 -0.12 0.00 -0.53 0.00 0.00 39.78 38.44 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2kpp s SER 59 N -0.45 2.59 0.40 1.20 1.04 -1.26 -4.57 113.70 112.64 2kpp s SER 59 Ca 0.31 -0.72 0.15 0.00 0.48 0.00 0.00 55.95 56.17 2kpp s SER 59 Cb -0.02 -0.14 0.83 0.00 0.10 0.00 0.00 66.02 66.79 2kpp s SER 59 CO 0.01 0.05 1.87 -0.65 0.98 0.00 0.00 173.24 175.49 2kpp h PRO 60 N 3.93 0.00 0.13 4.02 0.11 -2.00 -3.17 132.00 135.02 2kpp h PRO 60 Ca -0.46 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.35 2kpp h PRO 60 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kpp h PRO 60 CO 0.41 0.32 -1.45 -0.44 -0.21 0.00 0.00 178.00 176.64 2kpp h ASP 61 N 0.00 0.43 -1.12 -2.05 5.19 -2.00 -3.48 116.42 113.40 2kpp h ASP 61 Ca -0.00 -0.54 -0.37 0.00 -0.62 0.00 0.00 57.03 55.50 2kpp h ASP 61 Cb 0.60 -0.14 -0.13 0.00 0.18 0.00 0.00 39.33 39.84 2kpp h ASP 61 CO 0.04 1.44 -0.35 0.00 -3.12 0.00 0.00 179.24 177.25 2kpp n GLN 62 N -3.49 -1.27 -0.28 3.56 1.13 -1.20 -4.88 117.38 110.94 2kpp n GLN 62 Ca -0.14 1.09 0.04 0.00 -1.94 0.00 0.00 57.00 56.05 2kpp n GLN 62 Cb 1.04 -5.39 0.25 0.00 0.11 0.00 0.00 30.24 26.26 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 1.08 0.08 5.09 2.07 -1.93 -2.88 116.25 119.77 2kpp h VAL 63 Ca -0.38 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2kpp h VAL 63 Cb 1.19 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2kpp h VAL 63 CO 0.53 0.18 -0.41 1.23 0.02 0.00 0.00 177.57 179.13 2kpp h GLY 64 N 1.01 -0.80 1.53 2.17 0.00 -1.90 0.78 103.07 105.87 2kpp h GLY 64 Ca 0.37 0.49 -0.03 0.00 0.00 0.00 0.00 47.33 48.16 2kpp h GLY 64 CO -0.13 -0.26 0.15 -2.08 0.00 0.00 0.00 176.54 174.23 2kpp h VAL 65 N -0.61 1.17 0.00 4.60 2.07 -1.75 -2.65 116.25 119.08 2kpp h VAL 65 Ca 0.03 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 2kpp h VAL 65 Cb 0.66 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2kpp h VAL 65 CO -0.26 0.21 -0.26 0.11 0.02 0.00 0.00 177.57 177.39 2kpp h LYS 66 N 0.60 0.00 0.00 1.57 6.56 -0.96 -2.78 116.57 121.55 2kpp h LYS 66 Ca 0.15 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.72 2kpp h LYS 66 Cb 0.15 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2kpp h LYS 66 CO -0.01 0.26 -0.09 0.52 -2.06 0.00 0.00 179.45 178.07 2kpp h MET 67 N 0.00 0.00 0.00 3.15 2.86 -0.52 -3.48 114.93 116.94 2kpp h MET 67 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kpp h MET 67 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2kpp h MET 67 CO 0.03 0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.50 2kpp n GLY 68 N -0.75 -0.59 3.77 8.32 0.00 -1.05 -4.84 105.19 110.04 2kpp n GLY 68 Ca -0.02 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 3.83 -0.05 1.61 0.52 -1.26 -4.26 118.94 119.33 2kpp s TRP 69 Ca 0.00 1.79 0.04 0.00 0.02 0.00 0.00 56.10 57.95 2kpp s TRP 69 Cb 0.00 -2.91 -0.00 0.00 -1.15 0.00 0.00 33.47 29.41 2kpp s TRP 69 CO 0.00 0.35 -0.17 0.15 0.02 0.00 0.00 176.95 177.30 2kpp s LYS 70 N -1.61 1.93 0.00 4.98 -0.14 0.57 -5.00 119.74 120.47 2kpp s LYS 70 Ca 0.45 -0.61 0.05 0.00 -1.36 0.00 0.00 55.97 54.49 2kpp s LYS 70 Cb -0.22 -1.63 0.08 0.00 -1.68 0.00 0.00 37.83 34.38 2kpp s LYS 70 CO 0.27 0.21 0.97 -1.13 -0.76 0.00 0.00 175.35 174.90 2kpp n SER 71 N 3.29 -0.48 -3.52 2.83 3.41 -1.26 -1.03 113.62 116.85 2kpp n SER 71 Ca -0.19 -1.87 -0.11 0.00 -0.26 0.00 0.00 58.87 56.44 2kpp n SER 71 Cb 0.53 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 2kpp n SER 71 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2kpp s LYS 72 N 0.00 1.38 -0.01 4.33 0.00 -1.26 -4.45 119.74 119.72 2kpp s LYS 72 Ca 0.06 -0.58 -0.30 0.00 0.00 0.00 0.00 55.97 55.15 2kpp s LYS 72 Cb 0.07 0.58 -0.08 0.00 0.00 0.00 0.00 37.83 38.40 2kpp s LYS 72 CO -0.03 -0.61 2.03 0.00 0.00 0.00 0.00 175.35 176.74 2kpp s ALA 73 N -3.76 3.41 0.00 0.59 0.00 -1.26 -2.08 121.76 118.66 2kpp s ALA 73 Ca 0.03 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2kpp s ALA 73 Cb -0.02 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2kpp s ALA 73 CO -0.08 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.26 2kpp n GLY 74 N 4.80 1.84 3.70 0.00 0.00 -0.39 -4.98 105.19 110.16 2kpp n GLY 74 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.70 7.11 0.02 1.61 1.01 -0.88 -4.88 116.67 118.97 2kpp s ASP 75 Ca 0.00 1.88 0.04 0.00 0.71 0.00 0.00 52.55 55.18 2kpp s ASP 75 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2kpp s ASP 75 CO 0.00 -0.48 -0.13 0.42 0.21 0.00 0.00 175.17 175.19 2kpp s THR 76 N 1.50 1.01 -0.14 -1.27 -4.23 -1.26 -0.39 115.64 110.85 2kpp s THR 76 Ca 0.57 -0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2kpp s THR 76 Cb -0.26 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.66 2kpp s THR 76 CO 0.26 0.06 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.64 2kpp s ILE 77 N -0.70 2.95 -0.23 2.99 -1.09 0.10 -4.97 121.20 120.24 2kpp s ILE 77 Ca 0.02 -0.69 -0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2kpp s ILE 77 Cb -0.07 -2.24 0.03 0.00 -1.58 0.00 0.00 42.46 38.60 2kpp s ILE 77 CO 0.01 0.52 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.44 2kpp s VAL 78 N 0.54 2.56 -0.60 2.92 1.01 -1.26 -1.07 120.40 124.49 2kpp s VAL 78 Ca -0.09 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 60.87 2kpp s VAL 78 Cb -0.16 -2.27 0.24 0.00 0.00 0.00 0.00 36.38 34.19 2kpp s VAL 78 CO 0.04 0.26 0.69 0.00 0.00 0.00 0.00 175.10 176.08 2kpp h LEU 80 N 4.28 -0.34 -2.13 0.00 3.38 -1.95 -0.40 115.31 118.14 2kpp h LEU 80 Ca 0.18 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.26 2kpp h LEU 80 Cb 0.71 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2kpp h LEU 80 CO 0.76 -0.12 0.30 -0.65 0.09 0.00 0.00 178.44 178.82 2kpp h PRO 81 N -0.02 0.00 -0.01 1.13 0.11 -1.94 -1.10 132.00 130.17 2kpp h PRO 81 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2kpp h PRO 81 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2kpp h PRO 81 CO -0.35 0.00 -0.09 0.72 -0.21 0.00 0.00 178.00 178.07 2kpp n HIS 82 N -3.02 0.00 -1.37 0.65 8.25 -0.28 -4.94 115.22 114.51 2kpp n HIS 82 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 2kpp n HIS 82 Cb 0.36 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 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 0.34 -1.33 -4.06 -0.41 5.02 -0.42 -4.68 118.16 112.63 2kpp n LYS 83 Ca 0.06 0.93 -0.36 0.00 -2.02 0.00 0.00 58.31 56.92 2kpp n LYS 83 Cb 0.28 -5.17 -0.08 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.26 4.99 -0.04 -0.18 1.01 -0.87 -0.42 120.40 122.63 2kpp s VAL 84 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2kpp s VAL 84 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.24 2kpp s VAL 84 CO 0.00 0.58 0.09 0.12 0.00 0.00 0.00 175.10 175.89 2kpp s PHE 85 N -0.71 -0.08 0.05 5.22 5.36 -0.00 -1.15 117.98 126.67 2kpp s PHE 85 Ca 0.12 0.30 0.06 0.00 -0.96 0.00 0.00 56.93 56.46 2kpp s PHE 85 Cb -0.12 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.41 2kpp s PHE 85 CO 0.03 -0.12 -0.17 0.08 -1.46 0.00 0.00 175.22 173.57 2kpp s VAL 86 N 0.98 1.39 0.03 3.12 1.01 -0.24 0.14 120.40 126.84 2kpp s VAL 86 Ca -0.08 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 2kpp s VAL 86 Cb -0.11 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2kpp s VAL 86 CO -0.04 0.08 0.11 -1.83 0.00 0.00 0.00 175.10 173.42 2kpp s GLU 87 N -1.22 0.57 -0.18 2.72 -1.05 -0.24 0.01 118.70 119.31 2kpp s GLU 87 Ca 0.04 -0.66 -0.03 0.00 -0.15 0.00 0.00 54.97 54.17 2kpp s GLU 87 Cb -0.08 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 2kpp s GLU 87 CO 0.02 -0.14 -0.05 0.42 0.95 0.00 0.00 175.26 176.45 2kpp s ILE 88 N -2.32 3.59 0.43 1.83 1.01 0.47 0.03 121.20 126.25 2kpp s ILE 88 Ca -0.07 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.16 2kpp s ILE 88 Cb -0.03 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2kpp s ILE 88 CO -0.03 0.47 0.09 -1.59 0.00 0.00 0.00 174.94 173.88 2kpp s LYS 89 N 0.79 2.00 0.11 2.79 -2.85 -0.81 -1.26 119.74 120.50 2kpp s LYS 89 Ca -0.02 -2.23 0.04 0.00 -1.00 0.00 0.00 55.97 52.76 2kpp s LYS 89 Cb -0.15 -0.88 -0.04 0.00 -2.06 0.00 0.00 37.83 34.70 2kpp s LYS 89 CO 0.02 -0.43 0.06 0.45 0.10 0.00 0.00 175.35 175.54 2kpp s SER 90 N -3.68 5.30 0.58 0.03 0.15 -1.26 -0.26 113.70 114.56 2kpp s SER 90 Ca 0.19 -0.12 0.32 0.00 0.70 0.00 0.00 55.95 57.04 2kpp s SER 90 Cb 0.03 -1.34 1.79 0.00 -1.71 0.00 0.00 66.02 64.78 2kpp s SER 90 CO 0.11 0.14 2.20 0.71 1.20 0.00 0.00 173.24 177.61 2kpp h THR 91 N 2.55 0.43 -4.14 6.45 1.35 -0.99 -3.44 112.91 115.12 2kpp h THR 91 Ca -0.47 -0.20 -0.47 0.00 -0.55 0.00 0.00 66.41 64.71 2kpp h THR 91 Cb 1.17 1.14 0.13 0.00 -1.73 0.00 0.00 68.15 68.87 2kpp h THR 91 CO 0.63 0.04 0.28 0.00 -0.25 0.00 0.00 175.52 176.21 2kpp s GLN 92 N -4.36 1.33 0.60 4.72 -2.07 -1.26 -5.00 119.66 113.62 2kpp s GLN 92 Ca -0.04 0.59 -0.20 0.00 -1.82 0.00 0.00 55.36 53.90 2kpp s GLN 92 Cb 0.14 -1.84 -0.03 0.00 -1.09 0.00 0.00 33.01 30.19 2kpp s GLN 92 CO 0.54 -2.13 1.34 0.36 -1.32 0.00 0.00 175.29 174.07 2kpp n LYS 93 N -3.77 1.42 -4.32 9.60 2.85 -1.26 -5.05 118.16 117.62 2kpp n LYS 93 Ca 0.07 0.53 -0.18 0.00 -1.05 0.00 0.00 58.31 57.68 2kpp n LYS 93 Cb 0.57 -2.57 -0.14 0.00 -0.65 0.00 0.00 35.03 32.24 2kpp n LYS 93 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2kpp s ASP 94 N -1.14 1.05 0.07 -5.58 -4.77 -1.26 -5.02 116.67 100.02 2kpp s ASP 94 Ca 0.77 -0.21 -0.28 0.00 -3.30 0.00 0.00 52.55 49.54 2kpp s ASP 94 Cb -0.40 -0.10 -0.05 0.00 -1.09 0.00 0.00 42.92 41.28 2kpp s ASP 94 CO 0.45 0.08 0.88 -0.94 0.70 0.00 0.00 175.17 176.33 2kpp s SER 95 N -0.38 7.36 0.06 2.11 1.04 -1.26 -5.06 113.70 117.56 2kpp s SER 95 Ca 0.02 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.08 2kpp s SER 95 Cb -0.04 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2kpp s SER 95 CO -0.00 -0.05 -0.04 -0.54 0.98 0.00 0.00 173.24 173.58 2kpp s LYS 96 N 0.10 0.65 0.10 4.02 1.02 -1.26 -5.16 119.74 119.20 2kpp s LYS 96 Ca 0.44 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 2kpp s LYS 96 Cb -0.22 0.03 -0.05 0.00 -0.52 0.00 0.00 37.83 37.07 2kpp s LYS 96 CO 0.27 -0.06 0.31 -0.51 -0.92 0.00 0.00 175.35 174.43 2kpp s ASP 97 N -2.73 6.46 0.15 2.83 1.11 -1.26 -5.03 116.67 118.20 2kpp s ASP 97 Ca 0.05 0.50 -0.21 0.00 0.18 0.00 0.00 52.55 53.07 2kpp s ASP 97 Cb 0.04 -2.06 0.05 0.00 1.07 0.00 0.00 42.92 42.02 2kpp s ASP 97 CO -0.07 0.12 1.64 -0.65 1.18 0.00 0.00 175.17 177.39 2kpp h PRO 98 N 3.10 -0.18 -3.43 8.23 0.11 -2.06 -3.42 132.00 134.36 2kpp h PRO 98 Ca -0.46 0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.38 2kpp h PRO 98 Cb 1.17 0.04 -0.33 0.00 0.11 0.00 0.00 31.00 31.99 2kpp h PRO 98 CO 0.72 -0.12 -0.68 0.34 -0.21 0.00 0.00 178.00 178.06 2kpp s ASP 99 N -5.08 0.00 -0.35 -2.05 2.15 -1.26 -5.00 116.67 105.08 2kpp s ASP 99 Ca -0.14 0.14 0.07 0.00 0.43 0.00 0.00 52.55 53.04 2kpp s ASP 99 Cb 0.13 0.03 0.45 0.00 -0.30 0.00 0.00 42.92 43.22 2kpp s ASP 99 CO 0.69 -0.13 1.15 0.35 -0.17 0.00 0.00 175.17 177.06 2kpp n THR 100 N 4.16 2.43 -2.46 1.71 -2.24 -1.26 -4.87 114.28 111.74 2kpp n THR 100 Ca -0.27 -4.46 -0.16 0.00 -2.27 0.00 0.00 64.05 56.89 2kpp n THR 100 Cb 0.51 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2kpp n THR 100 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kpp n ASP 101 N -0.61 -4.73 -4.56 3.42 8.00 -1.26 -4.95 116.55 111.86 2kpp n ASP 101 Ca 0.41 -0.08 -0.38 0.00 0.71 0.00 0.00 54.79 55.46 2kpp n ASP 101 Cb 0.85 -3.78 -0.03 0.00 -0.02 0.00 0.00 41.12 38.13 2kpp n ASP 101 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kpp s LEU 102 N -4.63 3.32 -0.98 0.64 2.96 -1.26 -4.93 118.68 113.80 2kpp s LEU 102 Ca 0.07 -0.82 -0.24 0.00 -0.22 0.00 0.00 54.13 52.93 2kpp s LEU 102 Cb -0.03 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 2kpp s LEU 102 CO 0.09 -1.97 1.72 -0.63 -1.32 0.00 0.00 176.35 174.23 2kpp s ILE 103 N 6.80 3.69 0.35 6.68 -1.09 -1.26 -4.97 121.20 131.39 2kpp s ILE 103 Ca 0.51 -0.61 -0.28 0.00 -2.23 0.00 0.00 60.65 58.04 2kpp s ILE 103 Cb -0.05 -4.54 -0.10 0.00 -1.58 0.00 0.00 42.46 36.19 2kpp s ILE 103 CO 0.02 -1.43 1.32 0.68 -1.23 0.00 0.00 174.94 174.30 2kpp s VAL 104 N 7.63 2.66 -0.83 2.92 -7.23 -1.26 -4.83 120.40 119.46 2kpp s VAL 104 Ca 0.59 0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 61.12 2kpp s VAL 104 Cb -0.03 -3.41 -0.17 0.00 0.56 0.00 0.00 36.38 33.33 2kpp s VAL 104 CO -0.04 0.15 2.60 -2.65 -0.31 0.00 0.00 175.10 174.84 2kpp n PRO 105 N 0.66 0.35 -2.97 4.82 -0.02 -1.26 -4.90 135.00 131.69 2kpp n PRO 105 Ca 0.01 -0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.04 2kpp n PRO 105 Cb 0.42 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 2kpp n PRO 105 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2kpp s ASN 106 N 9.97 6.28 -0.24 2.55 3.04 -1.26 -5.00 114.94 130.28 2kpp s ASN 106 Ca 1.23 -0.62 -0.34 0.00 0.04 0.00 0.00 52.86 53.17 2kpp s ASN 106 Cb -0.88 -2.38 -0.10 0.00 -1.54 0.00 0.00 41.25 36.35 2kpp s ASN 106 CO 0.41 -1.11 2.07 0.18 -3.04 0.00 0.00 177.10 175.62 2kpp n LEU 107 N 6.96 2.78 -0.22 3.21 7.99 -1.26 -4.85 117.00 131.61 2kpp n LEU 107 Ca -0.02 0.59 -0.00 0.00 -0.01 0.00 0.00 56.01 56.56 2kpp n LEU 107 Cb 0.46 -1.35 0.07 0.00 -0.11 0.00 0.00 43.42 42.50 2kpp n LEU 107 CO 0.60 -0.49 0.73 -0.33 -1.51 0.00 0.00 177.39 176.39 2kpp h GLU 108 N 11.62 -0.00 -2.55 3.23 4.39 -2.03 -3.45 114.58 125.78 2kpp h GLU 108 Ca -0.38 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.45 2kpp h GLU 108 Cb 1.29 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.86 2kpp h GLU 108 CO 0.98 -0.00 0.40 -3.38 -1.16 0.00 0.00 179.01 175.85 2kpp s HIS 109 N -6.23 -0.19 0.42 4.33 -3.43 -1.26 -5.16 115.29 103.77 2kpp s HIS 109 Ca -0.14 -0.14 -0.25 0.00 -0.80 0.00 0.00 55.06 53.73 2kpp s HIS 109 Cb 0.20 0.65 -0.08 0.00 -1.43 0.00 0.00 32.58 31.91 2kpp s HIS 109 CO 0.74 -0.92 1.19 -1.01 -2.00 0.00 0.00 174.74 172.74 2kpp s HIS 110 N -3.47 2.96 -0.42 0.38 3.76 -1.26 -5.02 115.29 112.22 2kpp s HIS 110 Ca 0.11 1.52 -0.03 0.00 -0.15 0.00 0.00 55.06 56.51 2kpp s HIS 110 Cb -0.03 -3.44 0.11 0.00 1.11 0.00 0.00 32.58 30.34 2kpp s HIS 110 CO 0.02 -1.52 0.22 -1.58 -0.85 0.00 0.00 174.74 171.03 2kpp s HIS 111 N -1.42 3.57 -0.33 1.40 5.04 -1.26 -5.06 115.29 117.23 2kpp s HIS 111 Ca 0.59 -2.38 -0.29 0.00 -1.54 0.00 0.00 55.06 51.44 2kpp s HIS 111 Cb -0.31 -3.25 -0.07 0.00 0.04 0.00 0.00 32.58 28.98 2kpp s HIS 111 CO 0.39 -0.97 2.28 1.58 -2.34 0.00 0.00 174.74 175.68 2kpp n HIS 112 N 4.60 1.72 -0.05 3.88 -0.00 -1.26 -4.86 115.22 119.24 2kpp n HIS 112 Ca -0.02 0.02 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 2kpp n HIS 112 Cb 0.41 -2.66 -0.01 0.00 -0.12 0.00 0.00 29.99 27.62 2kpp n HIS 112 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kpp h HIS 113 N 15.66 0.00 0.00 1.57 2.76 -2.06 -3.58 115.15 129.51 2kpp h HIS 113 Ca -0.33 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2kpp h HIS 113 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2kpp h HIS 113 CO 0.95 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 179.16