#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp s ASP 2 N 0.00 3.52 -0.12 1.61 2.15 -1.26 -5.11 116.67 117.46 2kcp s ASP 2 Ca 0.00 -0.49 -0.18 0.00 0.43 0.00 0.00 52.55 52.31 2kcp s ASP 2 Cb 0.00 -1.53 0.04 0.00 -0.30 0.00 0.00 42.92 41.14 2kcp s ASP 2 CO 0.00 0.10 0.46 0.00 -0.17 0.00 0.00 175.17 175.56 2kcp s ARG 3 N 0.71 0.65 0.39 4.34 1.04 -1.26 -5.18 118.95 119.63 2kcp s ARG 3 Ca -0.08 0.40 0.05 0.00 -1.04 0.00 0.00 55.73 55.06 2kcp s ARG 3 Cb -0.16 0.31 -0.06 0.00 -2.04 0.00 0.00 34.95 33.00 2kcp s ARG 3 CO 0.01 -0.13 0.03 1.03 -0.04 0.00 0.00 175.30 176.21 2kcp s ARG 4 N -0.32 1.87 0.18 3.89 0.52 -1.26 -5.17 118.95 118.66 2kcp s ARG 4 Ca -0.05 -2.07 0.03 0.00 -0.52 0.00 0.00 55.73 53.13 2kcp s ARG 4 Cb -0.03 -1.28 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 2kcp s ARG 4 CO 0.03 -0.16 -0.04 0.54 0.02 0.00 0.00 175.30 175.69 2kcp s VAL 5 N -2.98 1.00 -0.24 3.52 0.11 -1.26 -5.12 120.40 115.43 2kcp s VAL 5 Ca 0.32 -2.03 -0.29 0.00 -2.93 0.00 0.00 61.98 57.05 2kcp s VAL 5 Cb 0.08 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.85 2kcp s VAL 5 CO 0.15 -0.53 1.19 -0.13 -3.33 0.00 0.00 175.10 172.45 2kcp s ARG 6 N -3.83 4.13 -0.11 1.54 0.52 -1.26 -4.92 118.95 115.02 2kcp s ARG 6 Ca 0.22 1.38 -0.00 0.00 -0.52 0.00 0.00 55.73 56.81 2kcp s ARG 6 Cb 0.05 -3.76 0.08 0.00 0.52 0.00 0.00 34.95 31.84 2kcp s ARG 6 CO 0.04 -0.83 1.92 1.28 0.02 0.00 0.00 175.30 177.73 2kcp n LEU 7 N 6.86 5.56 -4.70 2.53 4.32 -1.26 -4.93 117.00 125.38 2kcp n LEU 7 Ca 0.13 -2.66 -0.42 0.00 -0.02 0.00 0.00 56.01 53.05 2kcp n LEU 7 Cb 0.46 -1.05 -0.03 0.00 -1.62 0.00 0.00 43.42 41.18 2kcp n LEU 7 CO 0.57 1.04 1.05 -0.51 -1.22 0.00 0.00 177.39 178.32 2kcp s ILE 8 N -0.82 3.72 -0.72 -0.08 2.07 -1.26 -4.98 121.20 119.12 2kcp s ILE 8 Ca 0.11 1.17 -0.17 0.00 -1.41 0.00 0.00 60.65 60.35 2kcp s ILE 8 Cb 0.09 -3.75 0.15 0.00 0.13 0.00 0.00 42.46 39.08 2kcp s ILE 8 CO 0.00 0.04 0.77 -0.13 -1.91 0.00 0.00 174.94 173.71 2kcp s ARG 9 N 1.81 3.32 -0.94 3.50 1.81 -1.26 -4.99 118.95 122.19 2kcp s ARG 9 Ca 0.62 -1.84 -0.25 0.00 -1.72 0.00 0.00 55.73 52.55 2kcp s ARG 9 Cb -0.32 -4.44 -0.08 0.00 -0.45 0.00 0.00 34.95 29.66 2kcp s ARG 9 CO 0.28 -1.47 2.03 0.99 -0.68 0.00 0.00 175.30 176.44 2kcp s THR 10 N 1.69 3.37 0.22 0.02 2.01 -1.26 -4.94 115.64 116.75 2kcp s THR 10 Ca 0.16 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 2kcp s THR 10 Cb -0.17 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 2kcp s THR 10 CO -0.02 -0.76 0.45 -0.13 -0.69 0.00 0.00 174.62 173.47 2kcp s ARG 11 N 7.29 3.59 0.00 4.92 0.52 -1.26 -5.12 118.95 128.89 2kcp s ARG 11 Ca 0.74 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2kcp s ARG 11 Cb -0.07 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.64 2kcp s ARG 11 CO 0.04 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.12 2kcp n GLY 12 N -0.60 4.67 0.00 -3.53 0.00 -1.26 -5.18 105.19 99.29 2kcp n GLY 12 Ca -0.03 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2kcp n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcp n GLY 13 N 5.00 3.72 3.21 -0.02 0.00 -1.26 -5.19 105.19 110.65 2kcp n GLY 13 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 2kcp n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kcp s ASN 14 N 0.00 0.24 -0.20 1.61 3.84 -1.26 -5.11 114.94 114.06 2kcp s ASN 14 Ca 0.00 -1.41 -0.39 0.00 0.21 0.00 0.00 52.86 51.27 2kcp s ASN 14 Cb 0.00 0.39 -0.16 0.00 -0.55 0.00 0.00 41.25 40.93 2kcp s ASN 14 CO 0.00 -0.85 1.68 0.41 -2.79 0.00 0.00 177.10 175.55 2kcp n THR 15 N -0.29 0.27 -2.76 -5.21 -1.04 -1.26 -4.98 114.28 99.00 2kcp n THR 15 Ca 0.02 -0.05 -0.01 0.00 -2.04 0.00 0.00 64.05 61.97 2kcp n THR 15 Cb 0.66 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 2kcp n THR 15 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2kcp n LYS 16 N 4.93 0.85 -2.10 -2.82 5.02 -1.26 -5.06 118.16 117.73 2kcp n LYS 16 Ca 0.25 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 2kcp n LYS 16 Cb 0.15 -0.02 -0.03 0.00 -0.02 0.00 0.00 35.03 35.11 2kcp n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kcp s VAL 17 N 0.57 3.09 0.27 -0.18 0.11 -1.26 -4.93 120.40 118.07 2kcp s VAL 17 Ca 0.03 0.79 0.23 0.00 -2.93 0.00 0.00 61.98 60.11 2kcp s VAL 17 Cb -0.00 -3.51 0.23 0.00 -1.53 0.00 0.00 36.38 31.57 2kcp s VAL 17 CO 0.02 0.07 1.90 0.08 -3.33 0.00 0.00 175.10 173.84 2kcp h ARG 18 N 6.71 0.00 -1.16 1.54 -0.00 -2.01 -3.45 114.38 116.01 2kcp h ARG 18 Ca -0.42 0.00 0.18 0.00 -0.00 0.00 0.00 59.98 59.73 2kcp h ARG 18 Cb 1.21 0.00 -0.32 0.00 -0.00 0.00 0.00 29.97 30.86 2kcp h ARG 18 CO 0.87 0.22 0.75 -1.17 -0.00 0.00 0.00 179.97 180.65 2kcp s LEU 19 N -7.13 -0.13 -0.02 0.08 0.20 -1.26 -5.05 118.68 105.37 2kcp s LEU 19 Ca -0.01 0.23 -0.05 0.00 0.69 0.00 0.00 54.13 54.99 2kcp s LEU 19 Cb 0.12 1.22 -0.02 0.00 -0.43 0.00 0.00 46.19 47.09 2kcp s LEU 19 CO 0.63 -0.04 -0.10 0.00 -0.29 0.00 0.00 176.35 176.55 2kcp n ALA 20 N 2.34 1.94 -1.97 5.97 0.00 -1.26 -4.92 120.51 122.61 2kcp n ALA 20 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2kcp n ALA 20 Cb 0.57 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2kcp n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2kcp n SER 21 N -3.46 0.07 -1.86 0.00 3.41 -1.26 -4.91 113.62 105.61 2kcp n SER 21 Ca -0.04 -2.03 -0.14 0.00 -0.26 0.00 0.00 58.87 56.40 2kcp n SER 21 Cb 0.15 -0.21 0.17 0.00 -0.26 0.00 0.00 64.21 64.06 2kcp n SER 21 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kcp n ASP 22 N -0.04 3.75 -4.61 4.04 9.92 -1.26 -4.97 116.55 123.38 2kcp n ASP 22 Ca 0.00 -3.12 -0.43 0.00 -0.53 0.00 0.00 54.79 50.72 2kcp n ASP 22 Cb 0.70 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 40.42 2kcp n ASP 22 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kcp s THR 23 N -2.45 3.30 0.13 -3.53 2.01 -1.26 -4.95 115.64 108.90 2kcp s THR 23 Ca 0.42 0.32 -0.10 0.00 0.31 0.00 0.00 61.69 62.65 2kcp s THR 23 Cb 0.35 -3.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.50 2kcp s THR 23 CO 0.09 -0.20 0.27 -0.13 -0.69 0.00 0.00 174.62 173.96 2kcp s ARG 24 N 5.57 1.04 -0.12 4.92 0.52 -1.26 -3.07 118.95 126.55 2kcp s ARG 24 Ca 0.87 -1.05 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 2kcp s ARG 24 Cb -0.29 0.38 0.04 0.00 0.52 0.00 0.00 34.95 35.59 2kcp s ARG 24 CO 0.34 -0.37 0.37 -1.50 0.02 0.00 0.00 175.30 174.16 2kcp s ILE 25 N -3.91 0.01 -0.65 1.52 2.07 -0.30 -4.59 121.20 115.34 2kcp s ILE 25 Ca 0.11 -0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.00 2kcp s ILE 25 Cb 0.04 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 42.10 2kcp s ILE 25 CO -0.05 -0.04 1.22 0.20 -1.91 0.00 0.00 174.94 174.35 2kcp s ASN 26 N -0.07 6.31 -0.18 4.50 0.01 -0.17 -0.69 114.94 124.64 2kcp s ASN 26 Ca -0.02 -0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 51.75 2kcp s ASN 26 Cb -0.03 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 2kcp s ASN 26 CO 0.01 -1.63 0.55 -0.69 -1.51 0.00 0.00 177.10 173.83 2kcp s VAL 27 N 5.25 5.09 -0.27 1.60 1.01 0.56 -2.34 120.40 131.30 2kcp s VAL 27 Ca 0.38 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2kcp s VAL 27 Cb -0.08 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2kcp s VAL 27 CO 0.20 0.19 0.39 -0.69 0.00 0.00 0.00 175.10 175.19 2kcp s VAL 28 N 1.50 5.16 -0.16 2.92 1.01 0.45 -0.76 120.40 130.52 2kcp s VAL 28 Ca 0.26 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 2kcp s VAL 28 Cb -0.16 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2kcp s VAL 28 CO 0.10 0.14 1.15 -0.62 0.00 0.00 0.00 175.10 175.87 2kcp s ASP 29 N 1.63 7.05 0.31 3.32 -1.08 0.39 -1.22 116.67 127.08 2kcp s ASP 29 Ca 0.16 1.58 0.24 0.00 -0.52 0.00 0.00 52.55 54.01 2kcp s ASP 29 Cb -0.16 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.26 2kcp s ASP 29 CO 0.10 -0.67 1.62 1.55 0.52 0.00 0.00 175.17 178.29 2kcp h PRO 30 N 7.70 0.00 0.12 4.34 0.13 -1.89 -0.10 132.00 142.29 2kcp h PRO 30 Ca -0.26 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.61 2kcp h PRO 30 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kcp h PRO 30 CO 0.95 0.00 -1.35 0.93 -0.23 0.00 0.00 178.00 178.30 2kcp h GLU 31 N 0.00 0.26 0.00 0.86 4.39 -1.91 -3.41 114.58 114.77 2kcp h GLU 31 Ca 0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2kcp h GLU 31 Cb 0.88 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2kcp h GLU 31 CO 0.00 1.21 -0.37 0.25 -1.16 0.00 0.00 179.01 178.94 2kcp n THR 32 N -3.94 0.00 -1.48 1.13 -2.24 -1.26 -5.02 114.28 101.47 2kcp n THR 32 Ca -0.24 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.13 2kcp n THR 32 Cb 0.90 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 70.05 2kcp n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcp n GLY 33 N 1.23 0.70 3.81 3.38 0.00 -0.05 -5.03 105.19 109.23 2kcp n GLY 33 Ca 0.01 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2kcp n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcp s LYS 34 N -3.14 3.23 -0.27 1.61 -2.85 -1.25 -4.82 119.74 112.26 2kcp s LYS 34 Ca 0.00 -0.33 -0.09 0.00 -1.00 0.00 0.00 55.97 54.55 2kcp s LYS 34 Cb 0.00 -2.99 -0.04 0.00 -2.06 0.00 0.00 37.83 32.74 2kcp s LYS 34 CO 0.00 0.71 0.14 0.08 0.10 0.00 0.00 175.35 176.37 2kcp s VAL 35 N -1.09 4.84 0.03 1.79 1.01 -1.26 -0.46 120.40 125.26 2kcp s VAL 35 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2kcp s VAL 35 Cb -0.12 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2kcp s VAL 35 CO 0.09 0.28 -0.11 -1.83 0.00 0.00 0.00 175.10 173.53 2kcp s GLU 36 N 1.69 0.76 -0.12 2.72 -1.05 0.06 -4.93 118.70 117.83 2kcp s GLU 36 Ca 0.07 -0.68 -0.27 0.00 -0.15 0.00 0.00 54.97 53.94 2kcp s GLU 36 Cb -0.16 -0.70 -0.02 0.00 -0.44 0.00 0.00 34.13 32.81 2kcp s GLU 36 CO 0.08 0.17 0.89 0.42 0.95 0.00 0.00 175.26 177.76 2kcp s ILE 37 N -0.89 4.87 0.31 1.83 1.01 -1.26 -0.32 121.20 126.75 2kcp s ILE 37 Ca -0.01 1.79 0.10 0.00 0.00 0.00 0.00 60.65 62.54 2kcp s ILE 37 Cb -0.08 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 2kcp s ILE 37 CO 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 174.94 174.90 2kcp s ALA 38 N 1.80 2.94 -0.34 9.38 0.00 0.14 -4.94 121.76 130.74 2kcp s ALA 38 Ca 0.43 -1.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 2kcp s ALA 38 Cb -0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 2kcp s ALA 38 CO 0.17 0.18 0.19 -1.21 0.00 0.00 0.00 175.76 175.09 2kcp s GLU 39 N -3.60 3.28 -0.34 0.00 2.02 -1.26 -1.15 118.70 117.64 2kcp s GLU 39 Ca 0.32 -0.77 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 2kcp s GLU 39 Cb -0.02 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.53 2kcp s GLU 39 CO 0.17 -0.49 1.31 0.42 0.02 0.00 0.00 175.26 176.69 2kcp s ILE 40 N 1.64 4.10 -0.14 -1.63 1.01 -1.18 -1.83 121.20 123.16 2kcp s ILE 40 Ca 0.05 1.20 -0.17 0.00 0.00 0.00 0.00 60.65 61.72 2kcp s ILE 40 Cb -0.18 -4.21 -0.15 0.00 0.01 0.00 0.00 42.46 37.93 2kcp s ILE 40 CO 0.08 -0.59 0.34 0.03 0.00 0.00 0.00 174.94 174.80 2kcp h ARG 41 N 9.61 0.00 -6.62 2.79 2.47 -0.69 -3.47 114.38 118.47 2kcp h ARG 41 Ca -0.26 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.82 2kcp h ARG 41 Cb 1.10 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.21 2kcp h ARG 41 CO 1.05 0.61 -0.84 -0.80 0.56 0.00 0.00 179.97 180.55 2kcp s ASN 42 N -6.11 3.16 -0.39 7.04 -0.87 -0.91 -5.00 114.94 111.86 2kcp s ASN 42 Ca -0.15 -0.78 0.01 0.00 -1.57 0.00 0.00 52.86 50.37 2kcp s ASN 42 Cb 0.00 -0.21 0.12 0.00 -0.02 0.00 0.00 41.25 41.14 2kcp s ASN 42 CO 0.43 0.13 0.18 0.68 -2.57 0.00 0.00 177.10 175.95 2kcp s VAL 43 N -1.31 1.29 -0.30 1.60 -7.23 -1.26 -0.65 120.40 112.54 2kcp s VAL 43 Ca 0.14 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 2kcp s VAL 43 Cb -0.09 -1.93 0.19 0.00 0.56 0.00 0.00 36.38 35.11 2kcp s VAL 43 CO 0.07 -0.81 1.44 0.54 -0.31 0.00 0.00 175.10 176.03 2kcp s VAL 44 N 0.78 0.00 0.72 1.32 0.11 -1.17 -4.43 120.40 117.72 2kcp s VAL 44 Ca 0.15 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 2kcp s VAL 44 Cb -0.22 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.78 2kcp s VAL 44 CO -0.08 0.00 0.98 -1.84 -3.33 0.00 0.00 175.10 170.83 2kcp n GLU 45 N 1.68 -0.42 -1.54 1.54 0.00 -1.23 -4.60 120.64 116.07 2kcp n GLU 45 Ca -0.11 -2.19 -0.46 0.00 0.00 0.00 0.00 57.16 54.40 2kcp n GLU 45 Cb 0.57 -0.80 -0.05 0.00 0.00 0.00 0.00 31.44 31.16 2kcp n GLU 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kcp n ASN 46 N -3.21 2.80 -4.09 -1.84 4.13 -1.26 -4.96 115.26 106.83 2kcp n ASN 46 Ca 0.15 0.32 -0.24 0.00 1.68 0.00 0.00 54.58 56.48 2kcp n ASN 46 Cb 0.52 -1.43 -0.16 0.00 -1.54 0.00 0.00 39.78 37.17 2kcp n ASN 46 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2kcp s THR 47 N 7.72 1.23 -0.00 3.41 -4.23 -1.26 -5.14 115.64 117.36 2kcp s THR 47 Ca 1.04 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2kcp s THR 47 Cb -0.57 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.21 2kcp s THR 47 CO 0.42 0.36 0.00 0.00 -0.54 0.00 0.00 174.62 174.86 2kcp s ALA 48 N 0.16 0.04 -0.03 3.99 0.00 -1.26 -5.04 121.76 119.63 2kcp s ALA 48 Ca -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 2kcp s ALA 48 Cb -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.97 2kcp s ALA 48 CO 0.02 -0.01 0.05 0.09 0.00 0.00 0.00 175.76 175.91 2kcp n ASN 49 N 3.24 -6.71 -4.52 0.00 3.02 -1.26 -4.73 115.26 104.31 2kcp n ASN 49 Ca -0.15 1.53 -0.40 0.00 -0.03 0.00 0.00 54.58 55.54 2kcp n ASN 49 Cb 0.58 -4.71 -0.08 0.00 -0.61 0.00 0.00 39.78 34.96 2kcp n ASN 49 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kcp n PRO 50 N 1.58 0.60 -3.53 3.52 -0.02 -1.26 -4.88 135.00 131.01 2kcp n PRO 50 Ca -0.09 0.02 -0.27 0.00 -2.02 0.00 0.00 63.50 61.15 2kcp n PRO 50 Cb 0.14 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.00 2kcp n PRO 50 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2kcp n HIS 51 N 13.04 2.78 -1.40 6.00 1.44 -1.26 -4.91 115.22 130.91 2kcp n HIS 51 Ca 0.50 -4.08 -0.15 0.00 -2.01 0.00 0.00 57.72 51.98 2kcp n HIS 51 Cb 0.30 -0.50 -0.06 0.00 0.12 0.00 0.00 29.99 29.84 2kcp n HIS 51 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2kcp n PHE 52 N 1.36 -0.11 -2.69 -1.40 7.35 -1.26 -4.90 117.46 115.81 2kcp n PHE 52 Ca 0.26 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.52 2kcp n PHE 52 Cb 0.41 -2.89 -0.03 0.00 0.35 0.00 0.00 39.48 37.32 2kcp n PHE 52 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2kcp s VAL 53 N -2.21 4.28 -0.02 -2.13 1.01 -1.26 -4.74 120.40 115.33 2kcp s VAL 53 Ca 0.00 0.94 0.19 0.00 0.00 0.00 0.00 61.98 63.10 2kcp s VAL 53 Cb 0.00 -4.56 0.33 0.00 0.00 0.00 0.00 36.38 32.15 2kcp s VAL 53 CO 0.00 -1.01 1.14 -1.14 0.00 0.00 0.00 175.10 174.08 2kcp n ARG 54 N 7.68 0.17 -1.93 2.72 0.63 -1.26 -5.01 116.66 119.65 2kcp n ARG 54 Ca 0.09 -1.90 -0.42 0.00 -0.92 0.00 0.00 57.85 54.69 2kcp n ARG 54 Cb 0.49 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.10 2kcp n ARG 54 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2kcp n ARG 55 N 0.19 2.94 -0.48 -0.14 0.63 -1.26 -4.70 116.66 113.84 2kcp n ARG 55 Ca 0.06 -2.77 -0.01 0.00 -0.92 0.00 0.00 57.85 54.21 2kcp n ARG 55 Cb 0.99 -3.33 0.17 0.00 0.45 0.00 0.00 32.46 30.75 2kcp n ARG 55 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2kcp n ASN 56 N 6.56 3.34 -4.71 6.15 4.13 -1.26 -4.79 115.26 124.67 2kcp n ASN 56 Ca 0.51 -2.55 -0.40 0.00 1.68 0.00 0.00 54.58 53.83 2kcp n ASN 56 Cb 0.40 -0.61 -0.05 0.00 -1.54 0.00 0.00 39.78 37.99 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kcp s ILE 57 N -1.79 5.04 -0.66 2.41 1.01 -1.26 -4.83 121.20 121.11 2kcp s ILE 57 Ca 0.27 1.47 -0.26 0.00 0.00 0.00 0.00 60.65 62.13 2kcp s ILE 57 Cb 0.21 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2kcp s ILE 57 CO 0.07 0.24 1.90 -0.63 0.00 0.00 0.00 174.94 176.52 2kcp s ILE 58 N 0.86 3.36 0.10 2.92 1.01 -1.26 -4.94 121.20 123.25 2kcp s ILE 58 Ca 0.38 0.09 0.02 0.00 0.00 0.00 0.00 60.65 61.14 2kcp s ILE 58 Cb -0.18 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2kcp s ILE 58 CO 0.18 -0.89 -0.06 0.28 0.00 0.00 0.00 174.94 174.45 2kcp s THR 59 N 9.39 0.71 0.14 2.92 -1.32 -1.26 -4.30 115.64 121.92 2kcp s THR 59 Ca 0.69 -1.94 -0.32 0.00 -1.21 0.00 0.00 61.69 58.90 2kcp s THR 59 Cb -0.12 -1.72 -0.12 0.00 -1.51 0.00 0.00 72.50 69.04 2kcp s THR 59 CO 0.17 -0.85 1.76 -1.14 -2.21 0.00 0.00 174.62 172.36 2kcp n ARG 60 N -0.06 2.64 0.00 7.08 0.63 -1.26 -1.49 116.66 124.19 2kcp n ARG 60 Ca -0.12 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 2kcp n ARG 60 Cb 0.61 -2.81 0.00 0.00 0.45 0.00 0.00 32.46 30.71 2kcp n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kcp n GLY 61 N 4.03 3.13 3.81 5.14 0.00 -0.25 -4.99 105.19 116.06 2kcp n GLY 61 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2kcp n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcp s ALA 62 N -2.80 2.94 -0.29 4.61 0.00 -0.56 -4.81 121.76 120.87 2kcp s ALA 62 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 2kcp s ALA 62 Cb 0.00 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 2kcp s ALA 62 CO 0.00 -0.17 0.09 0.08 0.00 0.00 0.00 175.76 175.76 2kcp s VAL 63 N -2.14 4.14 -0.12 0.00 1.01 -1.26 -1.02 120.40 121.01 2kcp s VAL 63 Ca 0.64 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 2kcp s VAL 63 Cb -0.13 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2kcp s VAL 63 CO 0.19 0.14 0.07 0.68 0.00 0.00 0.00 175.10 176.19 2kcp s VAL 64 N 1.55 4.89 -0.43 2.92 -7.23 0.43 -3.07 120.40 119.46 2kcp s VAL 64 Ca 0.04 -0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 59.98 2kcp s VAL 64 Cb -0.17 -3.12 0.02 0.00 0.56 0.00 0.00 36.38 33.67 2kcp s VAL 64 CO 0.03 0.58 0.68 -0.70 -0.31 0.00 0.00 175.10 175.38 2kcp s GLU 65 N -0.66 3.37 0.42 4.82 2.12 0.18 -0.63 118.70 128.32 2kcp s GLU 65 Ca 0.12 -0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.28 2kcp s GLU 65 Cb -0.12 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.35 2kcp s GLU 65 CO 0.02 -1.00 0.50 0.95 -0.54 0.00 0.00 175.26 175.20 2kcp s THR 66 N 2.92 2.84 0.44 -1.70 -4.23 0.09 0.06 115.64 116.06 2kcp s THR 66 Ca 0.25 -1.13 0.14 0.00 -1.18 0.00 0.00 61.69 59.77 2kcp s THR 66 Cb -0.14 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 71.07 2kcp s THR 66 CO 0.19 0.00 1.98 -0.55 -0.54 0.00 0.00 174.62 175.70 2kcp h ASN 67 N 0.77 0.36 1.52 3.99 -1.07 -1.74 -0.68 115.58 118.73 2kcp h ASN 67 Ca -0.40 0.01 0.00 0.00 0.07 0.00 0.00 56.30 55.98 2kcp h ASN 67 Cb 1.28 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2kcp h ASN 67 CO 0.50 0.21 0.00 -0.07 0.07 0.00 0.00 177.43 178.14 2kcp h LEU 68 N 0.40 0.00 0.00 6.14 3.38 -1.95 -3.50 115.31 119.78 2kcp h LEU 68 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2kcp h LEU 68 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kcp h LEU 68 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 2kcp n GLY 69 N 1.28 0.80 3.74 0.83 0.00 -0.26 -5.07 105.19 106.50 2kcp n GLY 69 Ca 0.05 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2kcp n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 70 N -4.00 6.92 -0.08 1.61 0.02 -1.24 -0.73 114.94 117.43 2kcp s ASN 70 Ca 0.00 2.38 0.01 0.00 -1.02 0.00 0.00 52.86 54.22 2kcp s ASN 70 Cb 0.00 -2.61 0.02 0.00 0.02 0.00 0.00 41.25 38.68 2kcp s ASN 70 CO 0.00 -0.51 -0.08 -0.69 0.02 0.00 0.00 177.10 175.84 2kcp s VAL 71 N 0.12 0.92 -0.30 1.60 1.01 0.20 -0.14 120.40 123.80 2kcp s VAL 71 Ca 0.56 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2kcp s VAL 71 Cb -0.36 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2kcp s VAL 71 CO 0.38 0.33 0.65 -0.60 0.00 0.00 0.00 175.10 175.85 2kcp s ARG 72 N 1.17 3.91 0.21 2.72 3.52 0.60 -0.43 118.95 130.65 2kcp s ARG 72 Ca -0.06 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 2kcp s ARG 72 Cb -0.14 -3.73 -0.09 0.00 -1.56 0.00 0.00 34.95 29.43 2kcp s ARG 72 CO -0.02 -0.58 1.42 0.08 -0.81 0.00 0.00 175.30 175.39 2kcp s VAL 73 N 2.65 2.88 -0.14 7.11 1.01 -0.19 -0.54 120.40 133.18 2kcp s VAL 73 Ca 0.26 0.70 -0.07 0.00 0.00 0.00 0.00 61.98 62.87 2kcp s VAL 73 Cb -0.15 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 2kcp s VAL 73 CO 0.12 0.09 -0.18 0.35 0.00 0.00 0.00 175.10 175.48 2kcp n THR 74 N 2.84 0.78 -3.27 3.92 -2.24 -0.70 -1.09 114.28 114.52 2kcp n THR 74 Ca 0.08 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 2kcp n THR 74 Cb 0.41 -1.69 0.03 0.00 -2.10 0.00 0.00 70.33 66.98 2kcp n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2kcp n SER 75 N -3.63 1.67 -4.77 3.42 2.88 -1.22 -4.57 113.62 107.40 2kcp n SER 75 Ca -0.28 -2.12 -0.38 0.00 -1.33 0.00 0.00 58.87 54.76 2kcp n SER 75 Cb 0.69 -0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 2kcp n SER 75 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kcp s ARG 76 N -3.69 4.68 0.00 -1.46 3.00 -1.26 -4.44 118.95 115.79 2kcp s ARG 76 Ca 0.34 1.41 0.18 0.00 0.00 0.00 0.00 55.73 57.66 2kcp s ARG 76 Cb -0.03 -3.00 0.94 0.00 0.00 0.00 0.00 34.95 32.86 2kcp s ARG 76 CO 0.22 0.36 1.52 -0.35 0.00 0.00 0.00 175.30 177.05 2kcp n PRO 77 N 0.93 0.33 -0.59 3.54 -0.04 -1.26 -2.97 135.00 134.94 2kcp n PRO 77 Ca 0.00 0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2kcp n PRO 77 Cb 0.49 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.65 2kcp n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcp n GLY 78 N 0.19 4.95 3.57 0.55 0.00 -1.26 -4.60 105.19 108.58 2kcp n GLY 78 Ca 0.10 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 2kcp n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kcp s GLN 79 N -3.16 2.87 0.00 1.61 -1.52 -1.16 -4.60 119.66 113.70 2kcp s GLN 79 Ca 0.40 -0.84 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 2kcp s GLN 79 Cb 0.37 -5.21 0.00 0.00 -0.22 0.00 0.00 33.01 27.95 2kcp s GLN 79 CO -0.02 -3.22 0.00 -3.47 -0.25 0.00 0.00 175.29 168.33 2kcp n ASP 80 N 12.62 0.00 -0.70 5.90 -0.08 -1.26 -1.55 116.55 131.48 2kcp n ASP 80 Ca 0.41 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.66 2kcp n ASP 80 Cb 0.47 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.90 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kcp n GLY 81 N 0.00 0.57 3.16 0.27 0.00 -1.26 -5.15 105.19 102.78 2kcp n GLY 81 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2kcp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcp s VAL 82 N 0.00 1.09 -0.02 1.61 0.11 -0.59 -5.08 120.40 117.53 2kcp s VAL 82 Ca 0.00 -1.25 0.07 0.00 -2.93 0.00 0.00 61.98 57.87 2kcp s VAL 82 Cb 0.00 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2kcp s VAL 82 CO 0.00 -0.20 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.72 2kcp s ILE 83 N -1.21 1.81 0.00 7.04 1.01 -1.26 -3.48 121.20 125.11 2kcp s ILE 83 Ca -0.02 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.72 2kcp s ILE 83 Cb -0.10 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 2kcp s ILE 83 CO 0.02 0.51 -0.21 0.20 0.00 0.00 0.00 174.94 175.46 2kcp s ASN 84 N -0.55 2.43 0.33 3.58 -0.87 -1.26 -1.00 114.94 117.60 2kcp s ASN 84 Ca 0.09 -0.41 -0.18 0.00 -1.57 0.00 0.00 52.86 50.78 2kcp s ASN 84 Cb -0.09 -0.25 0.05 0.00 -0.02 0.00 0.00 41.25 40.94 2kcp s ASN 84 CO -0.01 0.23 0.81 -0.83 -2.57 0.00 0.00 177.10 174.73 2kcp s GLY 85 N -0.68 0.21 -0.06 0.66 0.00 -0.99 -1.72 107.32 104.75 2kcp s GLY 85 Ca 0.08 -0.57 0.05 0.00 0.00 0.00 0.00 44.72 44.28 2kcp s GLY 85 CO -0.00 0.02 -0.23 0.14 0.00 0.00 0.00 173.10 173.03 2kcp s VAL 86 N -2.72 2.29 -0.49 1.40 1.01 0.29 -0.41 120.40 121.77 2kcp s VAL 86 Ca 0.15 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 2kcp s VAL 86 Cb -0.05 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2kcp s VAL 86 CO 0.09 0.57 1.59 -0.22 0.00 0.00 0.00 175.10 177.13 2kcp s LEU 87 N -0.23 3.44 0.00 3.92 2.96 -0.35 -0.29 118.68 128.12 2kcp s LEU 87 Ca -0.01 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2kcp s LEU 87 Cb -0.13 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.42 2kcp s LEU 87 CO 0.03 -1.79 0.03 2.30 -1.32 0.00 0.00 176.35 175.60 2kcp n ILE 88 N 7.10 0.00 -3.51 6.68 -5.35 0.80 -4.35 119.36 120.73 2kcp n ILE 88 Ca 0.17 -1.46 -0.29 0.00 -0.27 0.00 0.00 62.75 60.90 2kcp n ILE 88 Cb 0.49 0.23 -0.12 0.00 -1.74 0.00 0.00 39.64 38.50 2kcp n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2kcp s ARG 89 N -3.16 0.71 -0.08 6.28 1.81 -1.26 -3.69 118.95 119.55 2kcp s ARG 89 Ca 0.03 -1.49 -0.09 0.00 -1.72 0.00 0.00 55.73 52.46 2kcp s ARG 89 Cb -0.00 -1.51 -0.29 0.00 -0.45 0.00 0.00 34.95 32.70 2kcp s ARG 89 CO 0.02 -1.21 0.54 0.93 -0.68 0.00 0.00 175.30 174.90 2kcp h GLU 90 N 6.92 0.33 -4.34 3.54 4.39 -2.00 -3.48 114.58 119.94 2kcp h GLU 90 Ca 0.05 -0.57 -0.25 0.00 0.34 0.00 0.00 59.36 58.93 2kcp h GLU 90 Cb 0.96 0.21 -0.22 0.00 -0.10 0.00 0.00 28.75 29.60 2kcp h GLU 90 CO 0.31 1.26 -0.73 -0.48 -1.16 0.00 0.00 179.01 178.22 2kcp s LEU 91 N -7.17 2.21 -0.02 1.33 0.05 -1.26 -5.08 118.68 108.75 2kcp s LEU 91 Ca -0.19 -0.46 -0.21 0.00 0.05 0.00 0.00 54.13 53.32 2kcp s LEU 91 Cb 0.06 -0.10 -0.27 0.00 -2.05 0.00 0.00 46.19 43.84 2kcp s LEU 91 CO 0.82 -0.19 1.01 -0.08 -0.55 0.00 0.00 176.35 177.35 2kcp h GLU 92 N 4.77 0.35 -3.32 1.48 4.81 -2.01 -3.46 114.58 117.20 2kcp h GLU 92 Ca -0.33 -0.45 -0.29 0.00 -0.13 0.00 0.00 59.36 58.15 2kcp h GLU 92 Cb 1.20 0.15 -0.34 0.00 0.63 0.00 0.00 28.75 30.39 2kcp h GLU 92 CO 0.42 1.15 -0.67 -1.01 -0.73 0.00 0.00 179.01 178.18 2kcp s HIS 93 N -2.87 -0.07 -0.88 0.92 3.76 -1.26 -5.09 115.29 109.80 2kcp s HIS 93 Ca -0.14 0.36 -0.25 0.00 -0.15 0.00 0.00 55.06 54.89 2kcp s HIS 93 Cb 0.02 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.46 2kcp s HIS 93 CO 0.82 -0.16 1.89 -1.58 -0.85 0.00 0.00 174.74 174.86 2kcp s HIS 94 N 1.46 1.86 0.29 1.40 2.46 -1.26 -4.90 115.29 116.60 2kcp s HIS 94 Ca -0.05 0.51 0.06 0.00 0.47 0.00 0.00 55.06 56.05 2kcp s HIS 94 Cb -0.12 -4.11 -0.02 0.00 -0.13 0.00 0.00 32.58 28.19 2kcp s HIS 94 CO -0.05 -1.82 0.23 0.72 -2.47 0.00 0.00 174.74 171.35 2kcp n HIS 95 N 13.37 -0.58 -3.13 3.88 8.25 -1.26 -5.12 115.22 130.63 2kcp n HIS 95 Ca 0.37 -2.36 -0.45 0.00 -0.26 0.00 0.00 57.72 55.03 2kcp n HIS 95 Cb 0.48 0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.76 2kcp n HIS 95 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcp s HIS 96 N -3.11 3.09 -0.24 4.41 3.76 -1.26 -5.02 115.29 116.91 2kcp s HIS 96 Ca 0.32 -1.11 -0.02 0.00 -0.15 0.00 0.00 55.06 54.10 2kcp s HIS 96 Cb 0.02 -4.01 0.02 0.00 1.11 0.00 0.00 32.58 29.72 2kcp s HIS 96 CO 0.23 -1.27 -0.06 -1.58 -0.85 0.00 0.00 174.74 171.21 2kcp s HIS 97 N 2.40 3.05 -2.42 1.40 5.04 -1.26 -5.30 115.29 118.20 2kcp s HIS 97 Ca 0.13 -1.49 0.29 0.00 -1.54 0.00 0.00 55.06 52.45 2kcp s HIS 97 Cb -0.22 -2.06 1.19 0.00 0.04 0.00 0.00 32.58 31.53 2kcp s HIS 97 CO 0.03 -0.71 1.83 1.58 -2.34 0.00 0.00 174.74 175.13