#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 6.19 -0.44 1.61 1.01 -1.26 -4.97 116.67 118.81 2kcp s ASP 2 Ca 0.00 -0.15 -0.02 0.00 0.71 0.00 0.00 52.55 53.10 2kcp s ASP 2 Cb 0.00 -2.55 0.12 0.00 1.01 0.00 0.00 42.92 41.49 2kcp s ASP 2 CO 0.00 -1.75 0.22 -0.13 0.21 0.00 0.00 175.17 173.72 2kcp s ARG 3 N 5.55 2.01 -0.47 8.23 0.52 -1.26 -5.06 118.95 128.47 2kcp s ARG 3 Ca 0.41 -1.98 -0.24 0.00 -0.52 0.00 0.00 55.73 53.41 2kcp s ARG 3 Cb -0.08 -3.54 0.03 0.00 0.52 0.00 0.00 34.95 31.87 2kcp s ARG 3 CO 0.20 -1.07 0.86 0.50 0.02 0.00 0.00 175.30 175.80 2kcp s ARG 4 N 0.86 3.43 -0.05 3.54 3.00 -1.26 -5.01 118.95 123.46 2kcp s ARG 4 Ca 0.10 -0.05 -0.30 0.00 -1.00 0.00 0.00 55.73 54.49 2kcp s ARG 4 Cb -0.22 -3.95 -0.07 0.00 0.00 0.00 0.00 34.95 30.70 2kcp s ARG 4 CO -0.04 -1.21 1.92 0.08 0.00 0.00 0.00 175.30 176.05 2kcp s VAL 5 N 3.54 3.18 -0.11 7.11 1.01 -1.26 -4.87 120.40 129.00 2kcp s VAL 5 Ca 0.32 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 2kcp s VAL 5 Cb -0.12 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2kcp s VAL 5 CO 0.23 -0.04 -0.21 0.54 0.00 0.00 0.00 175.10 175.62 2kcp n ARG 6 N 7.69 0.33 -0.84 2.72 1.74 -1.26 -5.00 116.66 122.04 2kcp n ARG 6 Ca 0.21 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2kcp n ARG 6 Cb 0.42 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2kcp n ARG 6 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2kcp n LEU 7 N -3.92 0.91 -4.67 0.55 7.94 -1.26 -4.89 117.00 111.66 2kcp n LEU 7 Ca -0.20 0.00 -0.48 0.00 -1.11 0.00 0.00 56.01 54.23 2kcp n LEU 7 Cb 0.50 -1.98 -0.05 0.00 0.53 0.00 0.00 43.42 42.43 2kcp n LEU 7 CO 0.07 -0.75 1.35 0.00 -1.11 0.00 0.00 177.39 176.96 2kcp n ILE 8 N -2.06 0.33 -3.76 1.96 0.13 -1.26 -4.99 119.36 109.71 2kcp n ILE 8 Ca 0.00 -0.06 -0.13 0.00 -1.10 0.00 0.00 62.75 61.46 2kcp n ILE 8 Cb 0.29 -1.69 -0.09 0.00 -0.84 0.00 0.00 39.64 37.31 2kcp n ILE 8 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2kcp s ARG 9 N 2.70 0.57 1.05 9.51 1.70 -1.26 -5.17 118.95 128.05 2kcp s ARG 9 Ca 0.87 0.02 -0.12 0.00 -0.47 0.00 0.00 55.73 56.04 2kcp s ARG 9 Cb -0.71 0.26 0.22 0.00 -0.57 0.00 0.00 34.95 34.15 2kcp s ARG 9 CO 0.47 -0.14 1.07 -0.08 -1.08 0.00 0.00 175.30 175.54 2kcp s THR 10 N -0.83 2.12 0.01 4.99 -1.32 -1.26 -4.98 115.64 114.38 2kcp s THR 10 Ca -0.09 0.04 -0.24 0.00 -1.21 0.00 0.00 61.69 60.19 2kcp s THR 10 Cb -0.04 -2.16 -0.05 0.00 -1.51 0.00 0.00 72.50 68.74 2kcp s THR 10 CO 0.03 -0.05 0.72 -0.13 -2.21 0.00 0.00 174.62 172.98 2kcp s ARG 11 N -4.59 4.45 0.00 7.08 1.81 -1.26 -5.02 118.95 121.42 2kcp s ARG 11 Ca 0.67 0.97 0.00 0.00 -1.72 0.00 0.00 55.73 55.65 2kcp s ARG 11 Cb -0.23 -3.38 0.00 0.00 -0.45 0.00 0.00 34.95 30.89 2kcp s ARG 11 CO 0.61 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.89 2kcp n GLY 12 N 2.56 3.04 0.00 -3.53 0.00 -1.26 -5.11 105.19 100.89 2kcp n GLY 12 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.77 0.65 3.66 -0.02 0.00 -1.26 -5.08 105.19 102.37 2kcp n GLY 13 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.25 6.47 -0.45 1.61 2.47 -1.26 -4.89 114.94 118.64 2kcp s ASN 14 Ca 0.00 2.64 -0.28 0.00 0.42 0.00 0.00 52.86 55.64 2kcp s ASN 14 Cb 0.00 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 2kcp s ASN 14 CO 0.00 -1.04 1.81 -0.89 -3.72 0.00 0.00 177.10 173.26 2kcp s THR 15 N 4.29 3.45 0.29 -5.21 2.01 -1.26 -4.98 115.64 114.22 2kcp s THR 15 Ca 0.86 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 63.15 2kcp s THR 15 Cb -0.42 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 2kcp s THR 15 CO 0.40 -0.62 0.64 -1.59 -0.69 0.00 0.00 174.62 172.75 2kcp s LYS 16 N 6.23 3.84 0.05 4.92 -2.85 -1.26 -5.08 119.74 125.57 2kcp s LYS 16 Ca 0.74 0.38 -0.09 0.00 -1.00 0.00 0.00 55.97 56.00 2kcp s LYS 16 Cb -0.18 -2.55 -0.05 0.00 -2.06 0.00 0.00 37.83 32.99 2kcp s LYS 16 CO 0.28 0.21 0.36 0.54 0.10 0.00 0.00 175.35 176.84 2kcp s VAL 17 N -1.98 5.15 0.37 1.79 0.11 -1.26 -5.11 120.40 119.48 2kcp s VAL 17 Ca 0.49 0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 59.90 2kcp s VAL 17 Cb -0.11 -3.63 0.09 0.00 -1.53 0.00 0.00 36.38 31.21 2kcp s VAL 17 CO 0.23 0.35 0.29 -2.11 -3.33 0.00 0.00 175.10 170.52 2kcp n ARG 18 N 1.09 -2.04 0.00 1.54 0.00 -1.26 -4.82 116.66 111.18 2kcp n ARG 18 Ca -0.10 -0.46 0.00 0.00 -0.00 0.00 0.00 57.85 57.29 2kcp n ARG 18 Cb 0.52 -0.49 0.00 0.00 -0.00 0.00 0.00 32.46 32.50 2kcp n ARG 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2kcp n LEU 19 N 0.00 0.00 -0.28 2.89 -0.00 -1.26 -2.88 117.00 115.47 2kcp n LEU 19 Ca 0.04 0.10 0.01 0.00 -0.00 0.00 0.00 56.01 56.16 2kcp n LEU 19 Cb 0.17 -0.10 0.14 0.00 -0.00 0.00 0.00 43.42 43.62 2kcp n LEU 19 CO 0.11 -0.10 1.15 0.00 -0.00 0.00 0.00 177.39 178.55 2kcp h ALA 20 N 1.68 1.10 0.02 1.47 0.00 -2.01 -2.86 119.26 118.66 2kcp h ALA 20 Ca 0.00 0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.56 2kcp h ALA 20 Cb 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2kcp h ALA 20 CO 0.00 0.17 -2.22 0.43 0.00 0.00 0.00 179.25 177.62 2kcp n SER 21 N -4.70 1.19 -3.78 0.00 7.64 -1.14 -4.81 113.62 108.02 2kcp n SER 21 Ca 0.12 0.07 -0.30 0.00 1.01 0.00 0.00 58.87 59.77 2kcp n SER 21 Cb 0.20 0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 2kcp n SER 21 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kcp s ASP 22 N -6.22 4.05 -0.34 6.43 -4.77 -1.20 -5.10 116.67 109.52 2kcp s ASP 22 Ca -0.19 -2.09 -0.29 0.00 -3.30 0.00 0.00 52.55 46.67 2kcp s ASP 22 Cb 0.07 -1.08 0.01 0.00 -1.09 0.00 0.00 42.92 40.83 2kcp s ASP 22 CO 0.74 -0.36 1.30 -0.89 0.70 0.00 0.00 175.17 176.67 2kcp s THR 23 N 1.02 4.11 0.03 2.11 2.01 -1.09 -4.09 115.64 119.74 2kcp s THR 23 Ca 0.13 1.22 -0.11 0.00 0.31 0.00 0.00 61.69 63.23 2kcp s THR 23 Cb -0.20 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.10 2kcp s THR 23 CO -0.13 -0.59 0.24 -0.60 -0.69 0.00 0.00 174.62 172.85 2kcp s ARG 24 N 4.35 0.72 -0.05 4.92 3.52 -1.26 -2.82 118.95 128.33 2kcp s ARG 24 Ca 0.56 -0.52 -0.13 0.00 -0.13 0.00 0.00 55.73 55.51 2kcp s ARG 24 Cb -0.15 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2kcp s ARG 24 CO 0.26 -0.21 0.30 -1.50 -0.81 0.00 0.00 175.30 173.33 2kcp s ILE 25 N -2.35 0.04 -0.39 4.11 2.07 0.88 -4.48 121.20 121.08 2kcp s ILE 25 Ca -0.07 -0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 58.68 2kcp s ILE 25 Cb -0.02 -0.53 0.01 0.00 0.13 0.00 0.00 42.46 42.04 2kcp s ILE 25 CO -0.02 -0.17 0.52 0.20 -1.91 0.00 0.00 174.94 173.55 2kcp s ASN 26 N -0.76 6.28 -0.18 4.50 0.01 0.52 -1.10 114.94 124.21 2kcp s ASN 26 Ca -0.08 -0.26 -0.08 0.00 -0.71 0.00 0.00 52.86 51.73 2kcp s ASN 26 Cb -0.04 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 2kcp s ASN 26 CO 0.03 -0.56 0.09 -0.69 -1.51 0.00 0.00 177.10 174.45 2kcp s VAL 27 N 2.41 5.02 -0.26 1.60 1.01 0.85 -1.50 120.40 129.53 2kcp s VAL 27 Ca 0.18 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2kcp s VAL 27 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2kcp s VAL 27 CO 0.15 0.47 0.40 -0.69 0.00 0.00 0.00 175.10 175.42 2kcp s VAL 28 N 0.23 5.16 -0.29 2.92 1.01 0.34 0.17 120.40 129.93 2kcp s VAL 28 Ca 0.06 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2kcp s VAL 28 Cb -0.12 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2kcp s VAL 28 CO -0.00 0.16 1.16 -0.62 0.00 0.00 0.00 175.10 175.79 2kcp s ASP 29 N 1.57 6.87 0.31 3.32 -1.08 0.28 -1.42 116.67 126.53 2kcp s ASP 29 Ca 0.16 1.20 0.25 0.00 -0.52 0.00 0.00 52.55 53.64 2kcp s ASP 29 Cb -0.16 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.37 2kcp s ASP 29 CO 0.10 -0.91 1.71 1.55 0.52 0.00 0.00 175.17 178.13 2kcp h PRO 30 N 8.40 0.00 0.11 4.34 0.13 -1.89 0.18 132.00 143.27 2kcp h PRO 30 Ca -0.23 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.60 2kcp h PRO 30 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2kcp h PRO 30 CO 1.02 0.00 -1.61 0.93 -0.23 0.00 0.00 178.00 178.11 2kcp h GLU 31 N 0.00 0.23 0.00 0.86 4.39 -1.91 -3.41 114.58 114.73 2kcp h GLU 31 Ca 0.00 -0.39 -0.18 0.00 0.34 0.00 0.00 59.36 59.14 2kcp h GLU 31 Cb 0.85 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 2kcp h GLU 31 CO 0.00 1.18 -1.87 0.25 -1.16 0.00 0.00 179.01 177.41 2kcp n THR 32 N -3.83 0.66 -0.52 1.13 -2.24 -1.25 -5.03 114.28 103.19 2kcp n THR 32 Ca -0.28 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2kcp n THR 32 Cb 0.93 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.99 0.70 3.88 3.38 0.00 0.05 -5.06 105.19 110.13 2kcp n GLY 33 Ca -0.17 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.81 3.59 -0.70 1.61 -2.85 -1.25 -4.83 119.74 114.50 2kcp s LYS 34 Ca 0.00 -0.04 -0.22 0.00 -1.00 0.00 0.00 55.97 54.71 2kcp s LYS 34 Cb 0.00 -3.10 0.08 0.00 -2.06 0.00 0.00 37.83 32.75 2kcp s LYS 34 CO 0.00 0.66 0.98 0.08 0.10 0.00 0.00 175.35 177.18 2kcp s VAL 35 N -1.26 4.40 -0.12 1.79 1.01 -1.26 -0.55 120.40 124.40 2kcp s VAL 35 Ca 0.26 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 2kcp s VAL 35 Cb -0.13 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.51 2kcp s VAL 35 CO 0.15 -1.46 0.11 -0.70 0.00 0.00 0.00 175.10 173.20 2kcp s GLU 36 N 3.80 3.46 -0.15 2.72 2.56 0.13 -4.88 118.70 126.33 2kcp s GLU 36 Ca 0.24 -0.19 -0.18 0.00 0.00 0.00 0.00 54.97 54.83 2kcp s GLU 36 Cb -0.15 -3.15 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 2kcp s GLU 36 CO 0.07 0.70 0.47 0.42 -0.56 0.00 0.00 175.26 176.36 2kcp s ILE 37 N -0.81 5.17 0.15 -3.70 1.01 -1.26 -0.10 121.20 121.66 2kcp s ILE 37 Ca 0.13 0.90 0.05 0.00 0.00 0.00 0.00 60.65 61.74 2kcp s ILE 37 Cb -0.12 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2kcp s ILE 37 CO 0.03 0.28 -0.11 0.00 0.00 0.00 0.00 174.94 175.14 2kcp s ALA 38 N 1.00 1.53 -0.12 9.38 0.00 -0.26 -4.95 121.76 128.34 2kcp s ALA 38 Ca 0.24 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 2kcp s ALA 38 Cb -0.15 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2kcp s ALA 38 CO 0.09 -0.07 -0.04 -1.21 0.00 0.00 0.00 175.76 174.53 2kcp s GLU 39 N -3.73 3.27 -0.28 0.00 2.02 -1.26 -0.08 118.70 118.64 2kcp s GLU 39 Ca 0.17 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.37 2kcp s GLU 39 Cb 0.02 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 2kcp s GLU 39 CO 0.01 0.45 1.54 0.42 0.02 0.00 0.00 175.26 177.70 2kcp s ILE 40 N -0.21 3.79 0.07 -1.63 1.01 -1.13 -3.39 121.20 119.72 2kcp s ILE 40 Ca 0.04 0.87 -0.09 0.00 0.00 0.00 0.00 60.65 61.47 2kcp s ILE 40 Cb -0.13 -3.86 -0.28 0.00 0.01 0.00 0.00 42.46 38.20 2kcp s ILE 40 CO 0.02 -0.41 1.13 -0.09 0.00 0.00 0.00 174.94 175.60 2kcp h ARG 41 N 10.67 0.44 -3.22 2.79 1.12 -0.13 -3.44 114.38 122.61 2kcp h ARG 41 Ca -0.31 -0.65 -0.35 0.00 -1.11 0.00 0.00 59.98 57.55 2kcp h ARG 41 Cb 1.14 0.23 -0.38 0.00 -0.01 0.00 0.00 29.97 30.94 2kcp h ARG 41 CO 1.02 1.29 -0.71 1.21 -3.11 0.00 0.00 179.97 179.67 2kcp s ASN 42 N -7.30 1.12 0.32 -3.80 2.47 -0.06 -4.99 114.94 102.70 2kcp s ASN 42 Ca -0.07 0.10 0.16 0.00 0.42 0.00 0.00 52.86 53.47 2kcp s ASN 42 Cb 0.06 -0.02 0.45 0.00 -1.45 0.00 0.00 41.25 40.29 2kcp s ASN 42 CO 0.91 -0.26 1.63 -0.37 -3.72 0.00 0.00 177.10 175.29 2kcp h VAL 43 N 6.42 1.01 -3.14 -5.21 -1.51 -1.86 -0.66 116.25 111.30 2kcp h VAL 43 Ca -0.13 -1.88 -0.59 0.00 -1.23 0.00 0.00 66.70 62.87 2kcp h VAL 43 Cb 1.12 2.12 -0.04 0.00 -2.13 0.00 0.00 31.29 32.36 2kcp h VAL 43 CO 0.16 0.47 -0.22 0.54 -1.23 0.00 0.00 177.57 177.29 2kcp s VAL 44 N -3.41 5.06 0.59 7.19 0.11 -1.26 -4.65 120.40 124.02 2kcp s VAL 44 Ca 0.01 0.52 -0.20 0.00 -2.93 0.00 0.00 61.98 59.38 2kcp s VAL 44 Cb 0.10 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2kcp s VAL 44 CO 0.72 0.29 1.27 -0.62 -3.33 0.00 0.00 175.10 173.43 2kcp n GLU 45 N 0.92 1.37 -0.96 1.54 1.02 -1.20 -4.59 120.64 118.73 2kcp n GLU 45 Ca -0.08 0.52 -0.30 0.00 -0.02 0.00 0.00 57.16 57.28 2kcp n GLU 45 Cb 0.52 -2.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.43 2kcp n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kcp n ASN 46 N -1.24 4.65 -1.94 1.62 4.13 -1.26 -4.82 115.26 116.39 2kcp n ASN 46 Ca 0.13 -2.47 -0.07 0.00 1.68 0.00 0.00 54.58 53.85 2kcp n ASN 46 Cb 0.46 -1.18 -0.02 0.00 -1.54 0.00 0.00 39.78 37.49 2kcp n ASN 46 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2kcp n THR 47 N 4.65 0.00 0.00 3.41 5.66 -1.26 -5.11 114.28 121.62 2kcp n THR 47 Ca 0.50 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2kcp n THR 47 Cb 0.22 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2kcp n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kcp n ALA 48 N -2.39 0.08 -2.67 1.79 0.00 -1.26 -5.10 120.51 110.96 2kcp n ALA 48 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kcp n ALA 48 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 2kcp n ALA 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kcp n ASN 49 N -2.09 -7.39 0.26 0.00 4.13 -1.26 -4.88 115.26 104.03 2kcp n ASN 49 Ca 0.00 1.39 0.17 0.00 1.68 0.00 0.00 54.58 57.82 2kcp n ASN 49 Cb 0.00 -5.21 0.89 0.00 -1.54 0.00 0.00 39.78 33.93 2kcp n ASN 49 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2kcp h PRO 50 N 3.02 0.00 -6.21 3.52 0.11 -1.99 -3.42 132.00 127.03 2kcp h PRO 50 Ca -0.03 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.59 2kcp h PRO 50 Cb 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2kcp h PRO 50 CO 0.09 0.00 -0.46 -1.01 -0.21 0.00 0.00 178.00 176.41 2kcp s HIS 51 N -4.59 3.05 0.46 0.65 3.76 -1.26 -5.00 115.29 112.36 2kcp s HIS 51 Ca -0.05 -0.20 0.36 0.00 -0.15 0.00 0.00 55.06 55.03 2kcp s HIS 51 Cb 0.15 -1.65 1.97 0.00 1.11 0.00 0.00 32.58 34.16 2kcp s HIS 51 CO 0.53 0.31 2.11 0.27 -0.85 0.00 0.00 174.74 177.11 2kcp h PHE 52 N 1.30 0.00 -0.62 1.40 -0.00 -1.99 -3.38 116.94 113.65 2kcp h PHE 52 Ca -0.47 0.00 -0.35 0.00 -0.00 0.00 0.00 57.97 57.16 2kcp h PHE 52 Cb 1.25 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 37.15 2kcp h PHE 52 CO 0.52 0.00 1.01 0.08 -0.00 0.00 0.00 178.31 179.92 2kcp s VAL 53 N -3.98 3.55 -0.01 0.88 1.01 -1.26 -4.89 120.40 115.71 2kcp s VAL 53 Ca -0.04 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2kcp s VAL 53 Cb 0.10 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2kcp s VAL 53 CO 0.33 -1.07 -0.04 0.00 0.00 0.00 0.00 175.10 174.32 2kcp s ARG 54 N 6.51 0.36 -1.12 2.72 1.70 -1.26 -4.96 118.95 122.89 2kcp s ARG 54 Ca 0.67 -0.12 -0.21 0.00 -0.47 0.00 0.00 55.73 55.61 2kcp s ARG 54 Cb -0.03 -0.37 0.07 0.00 -0.57 0.00 0.00 34.95 34.05 2kcp s ARG 54 CO 0.06 0.05 1.53 -0.98 -1.08 0.00 0.00 175.30 174.88 2kcp s ARG 55 N 0.10 3.75 0.24 3.89 1.70 -1.26 -4.69 118.95 122.69 2kcp s ARG 55 Ca -0.01 -1.53 0.18 0.00 -0.47 0.00 0.00 55.73 53.91 2kcp s ARG 55 Cb -0.04 -5.38 0.05 0.00 -0.57 0.00 0.00 34.95 29.02 2kcp s ARG 55 CO -0.00 -2.18 1.26 -2.95 -1.08 0.00 0.00 175.30 170.35 2kcp h ASN 56 N 8.86 0.00 -3.20 -2.89 7.08 -1.97 -3.37 115.58 120.09 2kcp h ASN 56 Ca 0.29 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.97 2kcp h ASN 56 Cb 0.96 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.20 2kcp h ASN 56 CO 1.41 0.36 0.55 0.27 -2.08 0.00 0.00 177.43 177.95 2kcp s ILE 57 N -3.05 4.05 -0.76 6.14 -4.36 -1.26 -4.21 121.20 117.75 2kcp s ILE 57 Ca 0.02 1.48 -0.25 0.00 -0.26 0.00 0.00 60.65 61.64 2kcp s ILE 57 Cb 0.08 -3.95 -0.15 0.00 1.25 0.00 0.00 42.46 39.69 2kcp s ILE 57 CO 0.76 0.12 2.40 -0.38 0.24 0.00 0.00 174.94 178.08 2kcp n ILE 58 N 3.89 -0.02 -4.35 8.37 5.41 -1.26 -4.90 119.36 126.50 2kcp n ILE 58 Ca 0.09 -0.55 -0.18 0.00 1.00 0.00 0.00 62.75 63.11 2kcp n ILE 58 Cb 0.46 -1.94 -0.10 0.00 -0.71 0.00 0.00 39.64 37.35 2kcp n ILE 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2kcp s THR 59 N 12.92 1.45 -0.10 1.39 -4.23 -1.26 -4.67 115.64 121.14 2kcp s THR 59 Ca 0.99 -2.12 -0.32 0.00 -1.18 0.00 0.00 61.69 59.06 2kcp s THR 59 Cb -0.23 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.31 2kcp s THR 59 CO 0.17 -0.47 2.02 -1.14 -0.54 0.00 0.00 174.62 174.66 2kcp n ARG 60 N -0.42 2.25 0.00 3.99 0.63 -1.26 -0.97 116.66 120.88 2kcp n ARG 60 Ca -0.07 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 2kcp n ARG 60 Cb 0.62 -2.88 0.00 0.00 0.45 0.00 0.00 32.46 30.65 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 4.96 0.48 3.72 5.14 0.00 0.04 -5.00 105.19 114.53 2kcp n GLY 61 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.14 3.36 -0.39 4.61 0.00 -0.15 -4.78 121.76 122.28 2kcp s ALA 62 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 2kcp s ALA 62 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2kcp s ALA 62 CO 0.00 -0.37 0.51 0.08 0.00 0.00 0.00 175.76 175.98 2kcp s VAL 63 N 0.82 5.00 0.04 0.00 1.01 -1.26 -1.22 120.40 124.79 2kcp s VAL 63 Ca 0.56 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.62 2kcp s VAL 63 Cb -0.29 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2kcp s VAL 63 CO 0.30 -0.36 0.13 0.68 0.00 0.00 0.00 175.10 175.85 2kcp s VAL 64 N 2.40 4.93 -0.21 2.92 -7.23 0.44 -3.27 120.40 120.38 2kcp s VAL 64 Ca 0.17 -0.51 -0.18 0.00 -1.81 0.00 0.00 61.98 59.66 2kcp s VAL 64 Cb -0.16 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 2kcp s VAL 64 CO 0.15 0.20 0.48 -0.70 -0.31 0.00 0.00 175.10 174.92 2kcp s GLU 65 N -2.22 4.17 0.42 4.82 2.12 -0.26 -0.61 118.70 127.14 2kcp s GLU 65 Ca 0.29 0.34 0.03 0.00 0.36 0.00 0.00 54.97 56.00 2kcp s GLU 65 Cb -0.12 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 2kcp s GLU 65 CO 0.21 -0.14 0.07 0.95 -0.54 0.00 0.00 175.26 175.82 2kcp s THR 66 N 1.62 0.95 -0.25 -1.70 -4.23 0.53 0.63 115.64 113.19 2kcp s THR 66 Ca 0.22 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.98 2kcp s THR 66 Cb -0.15 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.52 2kcp s THR 66 CO 0.09 0.00 1.75 -0.55 -0.54 0.00 0.00 174.62 175.37 2kcp h ASN 67 N 1.72 0.00 0.32 3.99 -1.07 -1.94 -1.71 115.58 116.89 2kcp h ASN 67 Ca -0.39 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 55.65 2kcp h ASN 67 Cb 1.28 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.48 2kcp h ASN 67 CO 0.65 0.00 -1.91 0.18 0.07 0.00 0.00 177.43 176.42 2kcp n LEU 68 N -2.35 1.16 0.00 6.14 4.77 -1.26 -5.09 117.00 120.36 2kcp n LEU 68 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2kcp n LEU 68 Cb 0.14 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2kcp n LEU 68 CO 0.16 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2kcp n GLY 69 N 1.70 0.56 3.71 -0.72 0.00 -0.64 -5.09 105.19 104.71 2kcp n GLY 69 Ca -0.24 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 7.35 -0.08 1.61 -0.87 -1.23 -0.35 114.94 117.37 2kcp s ASN 70 Ca 0.00 1.64 0.02 0.00 -1.57 0.00 0.00 52.86 52.95 2kcp s ASN 70 Cb 0.00 -2.56 0.01 0.00 -0.02 0.00 0.00 41.25 38.68 2kcp s ASN 70 CO 0.00 -0.23 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.46 2kcp s VAL 71 N 0.89 1.38 -0.30 1.60 1.01 0.22 -0.45 120.40 124.74 2kcp s VAL 71 Ca 0.50 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2kcp s VAL 71 Cb -0.21 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2kcp s VAL 71 CO 0.27 0.41 0.59 -0.60 0.00 0.00 0.00 175.10 175.77 2kcp s ARG 72 N 0.71 3.88 0.22 2.72 3.52 0.62 -0.42 118.95 130.20 2kcp s ARG 72 Ca -0.13 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.39 2kcp s ARG 72 Cb -0.16 -3.73 -0.10 0.00 -1.56 0.00 0.00 34.95 29.41 2kcp s ARG 72 CO 0.03 -0.54 1.43 0.08 -0.81 0.00 0.00 175.30 175.49 2kcp s VAL 73 N 2.52 2.81 0.00 7.11 1.01 -0.36 -0.74 120.40 132.75 2kcp s VAL 73 Ca 0.23 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2kcp s VAL 73 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2kcp s VAL 73 CO 0.12 0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.66 2kcp n THR 74 N 2.74 0.00 -1.16 3.92 -2.24 -0.65 -0.78 114.28 116.12 2kcp n THR 74 Ca 0.08 0.16 -0.21 0.00 -2.27 0.00 0.00 64.05 61.81 2kcp n THR 74 Cb 0.41 -1.08 0.17 0.00 -2.10 0.00 0.00 70.33 67.73 2kcp n THR 74 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kcp n SER 75 N -2.10 -1.16 -4.75 3.42 7.64 -1.24 -4.42 113.62 111.01 2kcp n SER 75 Ca 0.00 -1.10 -0.37 0.00 1.01 0.00 0.00 58.87 58.40 2kcp n SER 75 Cb 0.00 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.41 2kcp n SER 75 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kcp s ARG 76 N -4.89 4.19 0.53 1.43 1.81 -1.26 -4.68 118.95 116.08 2kcp s ARG 76 Ca 0.52 0.28 -0.19 0.00 -1.72 0.00 0.00 55.73 54.62 2kcp s ARG 76 Cb -0.04 -3.38 -0.07 0.00 -0.45 0.00 0.00 34.95 31.01 2kcp s ARG 76 CO 0.39 0.32 1.07 -1.25 -0.68 0.00 0.00 175.30 175.15 2kcp s PRO 77 N 0.17 3.55 0.00 3.54 0.04 -1.26 -4.19 135.00 136.85 2kcp s PRO 77 Ca 0.21 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2kcp s PRO 77 Cb -0.14 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2kcp s PRO 77 CO 0.08 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2kcp n GLY 78 N -0.22 0.97 3.49 0.56 0.00 -1.20 -5.00 105.19 103.79 2kcp n GLY 78 Ca 0.10 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2kcp n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kcp n GLN 79 N -2.05 1.86 -1.15 1.61 1.13 -1.18 -3.52 117.38 114.08 2kcp n GLN 79 Ca 0.00 -2.50 -0.05 0.00 -1.94 0.00 0.00 57.00 52.51 2kcp n GLN 79 Cb 0.00 -3.56 -0.02 0.00 0.11 0.00 0.00 30.24 26.77 2kcp n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2kcp n ASP 80 N 12.24 -5.16 0.00 1.08 2.03 -1.26 -2.75 116.55 122.73 2kcp n ASP 80 Ca 0.46 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2kcp n ASP 80 Cb 0.45 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.74 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcp n GLY 81 N -0.30 1.90 3.75 0.27 0.00 -1.23 -5.02 105.19 104.56 2kcp n GLY 81 Ca -0.05 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.44 3.06 0.08 1.61 0.11 -1.11 -4.44 120.40 119.27 2kcp s VAL 82 Ca 0.00 0.92 0.09 0.00 -2.93 0.00 0.00 61.98 60.06 2kcp s VAL 82 Cb 0.00 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 2kcp s VAL 82 CO 0.00 0.16 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.07 2kcp s ILE 83 N -0.26 1.89 -0.02 7.04 1.01 -1.26 -3.11 121.20 126.48 2kcp s ILE 83 Ca 0.54 -1.45 0.07 0.00 0.00 0.00 0.00 60.65 59.81 2kcp s ILE 83 Cb -0.37 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2kcp s ILE 83 CO 0.42 0.13 -0.23 0.20 0.00 0.00 0.00 174.94 175.46 2kcp s ASN 84 N -1.59 2.71 0.26 3.58 -0.87 -1.26 -0.35 114.94 117.42 2kcp s ASN 84 Ca 0.09 -0.42 -0.21 0.00 -1.57 0.00 0.00 52.86 50.75 2kcp s ASN 84 Cb -0.10 -0.31 0.04 0.00 -0.02 0.00 0.00 41.25 40.86 2kcp s ASN 84 CO 0.03 0.28 0.79 -0.83 -2.57 0.00 0.00 177.10 174.81 2kcp s GLY 85 N -0.54 -0.05 -0.01 0.66 0.00 -0.56 -1.63 107.32 105.18 2kcp s GLY 85 Ca 0.09 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.60 2kcp s GLY 85 CO -0.01 -0.01 -0.21 0.14 0.00 0.00 0.00 173.10 173.01 2kcp s VAL 86 N -3.52 2.52 -0.25 1.40 1.01 0.09 -0.51 120.40 121.14 2kcp s VAL 86 Ca 0.12 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2kcp s VAL 86 Cb -0.05 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2kcp s VAL 86 CO 0.06 0.52 1.21 -0.22 0.00 0.00 0.00 175.10 176.68 2kcp s LEU 87 N -0.85 4.01 0.35 3.92 2.96 -0.51 -0.28 118.68 128.29 2kcp s LEU 87 Ca 0.11 1.35 0.04 0.00 -0.22 0.00 0.00 54.13 55.41 2kcp s LEU 87 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 2kcp s LEU 87 CO 0.01 -0.89 0.13 0.27 -1.32 0.00 0.00 176.35 174.55 2kcp s ILE 88 N 3.80 0.58 -0.44 6.68 -4.36 0.41 -4.41 121.20 123.46 2kcp s ILE 88 Ca 0.52 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.98 2kcp s ILE 88 Cb -0.17 -2.50 0.24 0.00 1.25 0.00 0.00 42.46 41.29 2kcp s ILE 88 CO 0.17 0.00 0.69 0.54 0.24 0.00 0.00 174.94 176.57 2kcp n ARG 89 N -0.73 0.74 0.03 0.37 5.12 -1.26 -3.53 116.66 117.39 2kcp n ARG 89 Ca -0.02 -2.53 0.12 0.00 -1.93 0.00 0.00 57.85 53.48 2kcp n ARG 89 Cb 0.65 -1.33 0.48 0.00 -1.16 0.00 0.00 32.46 31.10 2kcp n ARG 89 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kcp n GLU 90 N 1.54 0.06 -1.66 5.56 1.02 -1.26 -4.83 120.64 121.08 2kcp n GLU 90 Ca 0.16 0.15 -0.15 0.00 -0.02 0.00 0.00 57.16 57.30 2kcp n GLU 90 Cb 0.58 -1.59 0.08 0.00 -0.02 0.00 0.00 31.44 30.49 2kcp n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kcp n LEU 91 N -1.70 0.00 -4.70 -4.62 4.77 -1.26 -5.02 117.00 104.47 2kcp n LEU 91 Ca 0.05 -1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 54.41 2kcp n LEU 91 Cb 0.29 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2kcp n LEU 91 CO 0.23 -0.85 1.35 -0.62 -1.33 0.00 0.00 177.39 176.17 2kcp n GLU 92 N -2.23 2.65 -0.55 3.23 -0.58 -1.26 -4.87 120.64 117.03 2kcp n GLU 92 Ca 0.10 0.96 -0.08 0.00 -0.42 0.00 0.00 57.16 57.71 2kcp n GLU 92 Cb 0.35 -2.79 0.03 0.00 -0.57 0.00 0.00 31.44 28.46 2kcp n GLU 92 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kcp n HIS 93 N 4.11 0.88 -3.71 -0.32 8.25 -1.26 -4.87 115.22 118.29 2kcp n HIS 93 Ca 0.17 -1.25 -0.29 0.00 -0.26 0.00 0.00 57.72 56.09 2kcp n HIS 93 Cb 0.34 -0.62 0.01 0.00 1.12 0.00 0.00 29.99 30.84 2kcp n HIS 93 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kcp n HIS 94 N 0.47 -2.17 -3.73 4.41 1.44 -1.26 -5.02 115.22 109.35 2kcp n HIS 94 Ca 0.17 0.90 -0.13 0.00 -2.01 0.00 0.00 57.72 56.65 2kcp n HIS 94 Cb 0.67 -2.44 -0.14 0.00 0.12 0.00 0.00 29.99 28.21 2kcp n HIS 94 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kcp s HIS 95 N -2.56 -0.27 -0.08 -1.40 3.76 -1.26 -5.13 115.29 108.35 2kcp s HIS 95 Ca 0.10 0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 55.39 2kcp s HIS 95 Cb -0.01 -0.02 -0.06 0.00 1.11 0.00 0.00 32.58 33.61 2kcp s HIS 95 CO 0.88 -0.22 1.74 -3.38 -0.85 0.00 0.00 174.74 172.91 2kcp s HIS 96 N 1.32 1.83 0.56 1.40 -3.43 -1.26 -5.00 115.29 110.70 2kcp s HIS 96 Ca -0.08 0.17 -0.00 0.00 -0.80 0.00 0.00 55.06 54.34 2kcp s HIS 96 Cb -0.11 -3.99 0.03 0.00 -1.43 0.00 0.00 32.58 27.09 2kcp s HIS 96 CO -0.07 -4.00 0.80 -3.38 -2.00 0.00 0.00 174.74 166.09 2kcp s HIS 97 N 4.60 2.93 -2.59 0.38 -0.00 -1.26 -5.26 115.29 114.09 2kcp s HIS 97 Ca 0.77 0.11 0.27 0.00 -0.00 0.00 0.00 55.06 56.22 2kcp s HIS 97 Cb -0.33 -2.76 0.90 0.00 -0.00 0.00 0.00 32.58 30.39 2kcp s HIS 97 CO 0.32 -0.88 1.66 1.58 -0.00 0.00 0.00 174.74 177.42