#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp n ASP 2 N 0.00 0.00 -2.08 1.61 5.75 -1.26 -5.02 116.55 115.54 2kcp n ASP 2 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 2kcp n ASP 2 Cb 0.00 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 2kcp n ASP 2 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kcp n ARG 3 N -1.27 -1.69 -1.03 0.11 5.12 -1.26 -4.85 116.66 111.79 2kcp n ARG 3 Ca 0.00 0.95 -0.13 0.00 -1.93 0.00 0.00 57.85 56.74 2kcp n ARG 3 Cb 0.00 -5.48 -0.16 0.00 -1.16 0.00 0.00 32.46 25.66 2kcp n ARG 3 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kcp n ARG 4 N -2.67 2.01 -2.94 5.56 5.12 -1.26 -4.92 116.66 117.57 2kcp n ARG 4 Ca -0.20 -1.09 -0.37 0.00 -1.93 0.00 0.00 57.85 54.25 2kcp n ARG 4 Cb 0.64 -1.99 -0.06 0.00 -1.16 0.00 0.00 32.46 29.88 2kcp n ARG 4 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2kcp s VAL 5 N 0.71 4.37 -0.12 1.55 -7.23 -1.26 -4.99 120.40 113.43 2kcp s VAL 5 Ca 0.65 1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 62.13 2kcp s VAL 5 Cb 0.32 -3.98 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 2kcp s VAL 5 CO -0.02 0.24 2.08 0.00 -0.31 0.00 0.00 175.10 177.10 2kcp s ARG 6 N -1.84 3.56 0.29 4.82 1.70 -1.26 -4.87 118.95 121.34 2kcp s ARG 6 Ca 0.45 2.22 0.01 0.00 -0.47 0.00 0.00 55.73 57.94 2kcp s ARG 6 Cb -0.19 -4.27 0.55 0.00 -0.57 0.00 0.00 34.95 30.47 2kcp s ARG 6 CO 0.23 -1.61 1.85 -0.07 -1.08 0.00 0.00 175.30 174.62 2kcp h LEU 7 N 13.15 0.93 -8.08 -1.89 4.07 -1.98 -3.32 115.31 118.19 2kcp h LEU 7 Ca -0.44 0.04 -0.69 0.00 0.08 0.00 0.00 57.88 56.87 2kcp h LEU 7 Cb 1.23 -0.15 -0.18 0.00 1.08 0.00 0.00 40.66 42.64 2kcp h LEU 7 CO 0.96 0.51 0.51 -0.51 -1.08 0.00 0.00 178.44 178.83 2kcp s ILE 8 N -5.95 4.73 -0.58 1.22 1.10 -1.26 -4.94 121.20 115.53 2kcp s ILE 8 Ca -0.12 -1.20 0.06 0.00 -0.51 0.00 0.00 60.65 58.88 2kcp s ILE 8 Cb 0.22 -4.65 0.23 0.00 0.15 0.00 0.00 42.46 38.41 2kcp s ILE 8 CO 0.81 -1.35 0.63 -2.11 -2.11 0.00 0.00 174.94 170.81 2kcp n ARG 9 N 6.55 1.85 -0.43 3.50 -4.01 -1.25 -4.92 116.66 117.95 2kcp n ARG 9 Ca 0.07 -4.21 -0.07 0.00 -1.04 0.00 0.00 57.85 52.60 2kcp n ARG 9 Cb 0.46 -1.98 0.04 0.00 -3.04 0.00 0.00 32.46 27.95 2kcp n ARG 9 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 2kcp n THR 10 N 1.27 1.81 0.60 8.89 -2.24 -1.26 -4.57 114.28 118.78 2kcp n THR 10 Ca 0.26 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2kcp n THR 10 Cb 0.43 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 2kcp n THR 10 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2kcp n ARG 11 N 0.24 0.93 -2.00 -0.78 -4.01 -1.26 -4.93 116.66 104.85 2kcp n ARG 11 Ca 0.17 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.59 2kcp n ARG 11 Cb 0.75 -1.04 0.01 0.00 -3.04 0.00 0.00 32.46 29.15 2kcp n ARG 11 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2kcp s GLY 12 N 1.23 2.89 0.00 2.89 0.00 -1.26 -3.91 107.32 109.16 2kcp s GLY 12 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 44.72 45.95 2kcp s GLY 12 CO 0.00 1.78 0.00 0.61 0.00 0.00 0.00 173.10 175.49 2kcp n GLY 13 N 0.63 2.16 3.55 0.20 0.00 -1.26 -4.83 105.19 105.64 2kcp n GLY 13 Ca 0.06 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 6.53 -0.29 1.61 3.84 -1.25 -4.85 114.94 120.54 2kcp s ASN 14 Ca 0.00 -1.56 0.03 0.00 0.21 0.00 0.00 52.86 51.54 2kcp s ASN 14 Cb 0.00 -2.56 0.18 0.00 -0.55 0.00 0.00 41.25 38.33 2kcp s ASN 14 CO 0.00 -1.45 0.53 -0.89 -2.79 0.00 0.00 177.10 172.50 2kcp s THR 15 N 4.77 -0.88 0.05 -5.21 2.01 -1.26 -4.97 115.64 110.14 2kcp s THR 15 Ca 0.46 -0.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 2kcp s THR 15 Cb -0.00 -0.99 -0.13 0.00 0.01 0.00 0.00 72.50 71.39 2kcp s THR 15 CO -0.09 -0.08 1.44 0.50 -0.69 0.00 0.00 174.62 175.70 2kcp h LYS 16 N 8.05 0.26 -6.84 4.92 3.11 -1.99 -3.43 116.57 120.66 2kcp h LYS 16 Ca -0.07 -0.10 -0.53 0.00 -2.81 0.00 0.00 60.65 57.14 2kcp h LYS 16 Cb 1.17 -0.02 0.07 0.00 -1.00 0.00 0.00 32.23 32.45 2kcp h LYS 16 CO 0.20 0.55 0.72 0.54 -2.81 0.00 0.00 179.45 178.65 2kcp s VAL 17 N -4.76 2.56 0.57 2.00 0.11 -1.26 -4.90 120.40 114.71 2kcp s VAL 17 Ca -0.14 0.52 0.36 0.00 -2.93 0.00 0.00 61.98 59.78 2kcp s VAL 17 Cb 0.05 -3.33 0.39 0.00 -1.53 0.00 0.00 36.38 31.96 2kcp s VAL 17 CO 0.72 0.11 2.26 0.08 -3.33 0.00 0.00 175.10 174.94 2kcp h ARG 18 N 4.02 0.00 -2.44 1.54 0.11 -1.91 -3.41 114.38 112.30 2kcp h ARG 18 Ca -0.48 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.52 2kcp h ARG 18 Cb 1.22 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 32.04 2kcp h ARG 18 CO 0.71 0.02 -0.35 -1.17 0.10 0.00 0.00 179.97 179.27 2kcp s LEU 19 N -6.91 -0.69 0.00 0.08 0.20 -1.26 -4.79 118.68 105.30 2kcp s LEU 19 Ca -0.04 1.02 0.00 0.00 0.69 0.00 0.00 54.13 55.79 2kcp s LEU 19 Cb 0.14 1.43 0.00 0.00 -0.43 0.00 0.00 46.19 47.33 2kcp s LEU 19 CO 0.50 -0.23 0.00 0.00 -0.29 0.00 0.00 176.35 176.32 2kcp n ALA 20 N 5.40 1.00 -0.80 5.97 0.00 -1.26 -4.92 120.51 125.89 2kcp n ALA 20 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2kcp n ALA 20 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 2kcp n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kcp n SER 21 N -2.24 0.66 -4.60 0.00 2.88 -1.26 -5.08 113.62 103.99 2kcp n SER 21 Ca 0.00 -1.45 -0.32 0.00 -1.33 0.00 0.00 58.87 55.76 2kcp n SER 21 Cb 0.00 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.32 2kcp n SER 21 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kcp s ASP 22 N -0.49 4.63 -0.17 -3.46 1.11 -1.26 -4.90 116.67 112.13 2kcp s ASP 22 Ca 0.01 -0.14 -0.04 0.00 0.18 0.00 0.00 52.55 52.56 2kcp s ASP 22 Cb 0.01 -1.08 0.08 0.00 1.07 0.00 0.00 42.92 43.00 2kcp s ASP 22 CO 0.00 0.28 0.19 -0.89 1.18 0.00 0.00 175.17 175.93 2kcp s THR 23 N -1.00 -0.28 0.18 -1.27 2.01 -1.26 -4.90 115.64 109.12 2kcp s THR 23 Ca 0.17 -0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 2kcp s THR 23 Cb -0.11 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 2kcp s THR 23 CO 0.07 -0.13 0.24 -0.13 -0.69 0.00 0.00 174.62 173.99 2kcp s ARG 24 N 2.29 1.18 -0.17 4.92 0.52 -1.26 -3.27 118.95 123.16 2kcp s ARG 24 Ca 0.05 -1.32 -0.10 0.00 -0.52 0.00 0.00 55.73 53.83 2kcp s ARG 24 Cb -0.15 0.35 0.06 0.00 0.52 0.00 0.00 34.95 35.72 2kcp s ARG 24 CO -0.10 -0.42 0.42 -1.50 0.02 0.00 0.00 175.30 173.72 2kcp s ILE 25 N -4.03 -0.02 -0.52 1.52 2.07 0.11 -4.40 121.20 115.94 2kcp s ILE 25 Ca 0.23 0.07 -0.28 0.00 -1.41 0.00 0.00 60.65 59.27 2kcp s ILE 25 Cb 0.04 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 42.01 2kcp s ILE 25 CO 0.04 0.03 1.66 0.20 -1.91 0.00 0.00 174.94 174.96 2kcp s ASN 26 N 1.19 5.78 -0.20 4.50 -0.87 0.14 -0.46 114.94 125.01 2kcp s ASN 26 Ca -0.08 0.56 -0.10 0.00 -1.57 0.00 0.00 52.86 51.68 2kcp s ASN 26 Cb -0.07 -2.54 -0.05 0.00 -0.02 0.00 0.00 41.25 38.57 2kcp s ASN 26 CO -0.10 -1.93 0.12 -0.69 -2.57 0.00 0.00 177.10 171.92 2kcp s VAL 27 N 7.28 5.28 -0.31 1.60 1.01 0.11 -1.23 120.40 134.15 2kcp s VAL 27 Ca 0.64 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 2kcp s VAL 27 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2kcp s VAL 27 CO 0.26 0.43 0.40 -0.69 0.00 0.00 0.00 175.10 175.50 2kcp s VAL 28 N 0.45 5.14 -0.30 2.92 1.01 0.52 -0.50 120.40 129.64 2kcp s VAL 28 Ca 0.07 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 2kcp s VAL 28 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2kcp s VAL 28 CO -0.01 0.01 1.31 -0.62 0.00 0.00 0.00 175.10 175.79 2kcp s ASP 29 N 1.69 6.66 0.46 3.32 -1.08 0.45 -1.04 116.67 127.13 2kcp s ASP 29 Ca 0.15 1.22 0.27 0.00 -0.52 0.00 0.00 52.55 53.67 2kcp s ASP 29 Cb -0.16 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.51 2kcp s ASP 29 CO 0.11 -1.09 1.75 1.55 0.52 0.00 0.00 175.17 178.02 2kcp h PRO 30 N 9.35 0.00 0.13 4.34 0.13 -1.88 0.16 132.00 144.23 2kcp h PRO 30 Ca -0.26 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.58 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 1.03 0.00 -1.44 0.93 -0.23 0.00 0.00 178.00 178.29 2kcp h GLU 31 N 0.00 0.28 0.00 0.86 4.39 -1.90 -3.39 114.58 114.81 2kcp h GLU 31 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2kcp h GLU 31 Cb 0.79 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2kcp h GLU 31 CO 0.00 1.23 -1.67 0.25 -1.16 0.00 0.00 179.01 177.66 2kcp n THR 32 N -3.87 0.00 -0.82 1.13 -2.24 -1.25 -5.01 114.28 102.22 2kcp n THR 32 Ca -0.24 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2kcp n THR 32 Cb 0.93 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.59 0.58 3.92 3.38 0.00 0.55 -5.05 105.19 110.16 2kcp n GLY 33 Ca -0.03 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.38 3.21 -0.26 1.61 -2.85 -1.23 -4.82 119.74 115.02 2kcp s LYS 34 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 55.97 54.87 2kcp s LYS 34 Cb 0.00 -2.40 0.02 0.00 -2.06 0.00 0.00 37.83 33.39 2kcp s LYS 34 CO 0.00 -0.38 -0.01 0.08 0.10 0.00 0.00 175.35 175.14 2kcp s VAL 35 N -2.76 3.30 0.00 1.79 1.01 -1.26 -0.41 120.40 122.06 2kcp s VAL 35 Ca 0.49 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2kcp s VAL 35 Cb -0.10 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2kcp s VAL 35 CO 0.43 0.18 -0.18 -0.70 0.00 0.00 0.00 175.10 174.83 2kcp s GLU 36 N 1.40 1.39 -0.26 2.72 2.56 0.35 -4.95 118.70 121.91 2kcp s GLU 36 Ca 0.02 -0.70 -0.16 0.00 0.00 0.00 0.00 54.97 54.12 2kcp s GLU 36 Cb -0.17 -1.38 -0.03 0.00 2.00 0.00 0.00 34.13 34.55 2kcp s GLU 36 CO -0.02 0.37 0.44 0.42 -0.56 0.00 0.00 175.26 175.92 2kcp s ILE 37 N -0.52 5.12 0.27 -3.70 1.01 -1.26 0.06 121.20 122.18 2kcp s ILE 37 Ca 0.07 0.73 0.08 0.00 0.00 0.00 0.00 60.65 61.52 2kcp s ILE 37 Cb -0.07 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2kcp s ILE 37 CO -0.00 0.12 0.17 0.00 0.00 0.00 0.00 174.94 175.24 2kcp s ALA 38 N 2.18 3.55 -0.23 9.38 0.00 0.39 -4.88 121.76 132.15 2kcp s ALA 38 Ca 0.18 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 2kcp s ALA 38 Cb -0.16 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2kcp s ALA 38 CO 0.09 0.21 0.11 -1.21 0.00 0.00 0.00 175.76 174.97 2kcp s GLU 39 N -3.84 3.91 -0.40 0.00 2.02 -1.26 0.07 118.70 119.21 2kcp s GLU 39 Ca 0.34 -0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 2kcp s GLU 39 Cb -0.07 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.77 2kcp s GLU 39 CO 0.24 0.02 1.19 0.42 0.02 0.00 0.00 175.26 177.15 2kcp s ILE 40 N 1.12 4.23 -0.15 -1.63 1.01 -1.20 -2.46 121.20 122.12 2kcp s ILE 40 Ca 0.06 1.33 -0.18 0.00 0.00 0.00 0.00 60.65 61.86 2kcp s ILE 40 Cb -0.14 -4.42 -0.15 0.00 0.01 0.00 0.00 42.46 37.76 2kcp s ILE 40 CO 0.04 -0.74 0.33 0.03 0.00 0.00 0.00 174.94 174.60 2kcp h ARG 41 N 9.14 0.00 -6.58 2.79 3.08 0.09 -3.48 114.38 119.41 2kcp h ARG 41 Ca -0.23 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.17 2kcp h ARG 41 Cb 1.07 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.93 2kcp h ARG 41 CO 1.08 0.62 -0.83 -0.80 -1.07 0.00 0.00 179.97 178.97 2kcp s ASN 42 N -6.13 3.25 -0.62 7.04 0.01 -0.91 -4.97 114.94 112.61 2kcp s ASN 42 Ca -0.16 -0.82 0.04 0.00 -0.71 0.00 0.00 52.86 51.21 2kcp s ASN 42 Cb 0.00 -0.22 0.16 0.00 0.41 0.00 0.00 41.25 41.60 2kcp s ASN 42 CO 0.43 0.11 0.42 0.54 -1.51 0.00 0.00 177.10 177.10 2kcp s VAL 43 N -1.51 2.38 0.00 1.60 0.11 -1.26 -0.75 120.40 120.97 2kcp s VAL 43 Ca 0.17 -3.79 0.00 0.00 -2.93 0.00 0.00 61.98 55.43 2kcp s VAL 43 Cb -0.08 -2.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2kcp s VAL 43 CO 0.08 -1.00 0.00 0.55 -3.33 0.00 0.00 175.10 171.40 2kcp n VAL 44 N 2.36 0.00 -3.03 2.04 3.14 -1.13 -4.83 118.33 116.88 2kcp n VAL 44 Ca 0.18 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.18 2kcp n VAL 44 Cb 0.36 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.08 2kcp n VAL 44 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2kcp s GLU 45 N -1.27 4.46 -0.96 1.45 8.01 -1.24 -4.70 118.70 124.44 2kcp s GLU 45 Ca 0.00 1.05 -0.24 0.00 0.01 0.00 0.00 54.97 55.80 2kcp s GLU 45 Cb 0.00 -3.17 -0.01 0.00 -4.31 0.00 0.00 34.13 26.65 2kcp s GLU 45 CO 0.00 0.54 1.74 -0.80 0.01 0.00 0.00 175.26 176.75 2kcp s ASN 46 N -1.26 5.72 -0.25 -0.19 -0.87 -1.26 -4.89 114.94 111.94 2kcp s ASN 46 Ca 0.37 -1.05 -0.25 0.00 -1.57 0.00 0.00 52.86 50.36 2kcp s ASN 46 Cb -0.21 -2.57 0.07 0.00 -0.02 0.00 0.00 41.25 38.52 2kcp s ASN 46 CO 0.24 -2.22 0.71 0.28 -2.57 0.00 0.00 177.10 173.54 2kcp s THR 47 N 7.92 0.00 -0.38 1.60 -1.32 -1.26 -5.13 115.64 117.06 2kcp s THR 47 Ca 0.60 -0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.79 2kcp s THR 47 Cb -0.04 -0.98 0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2kcp s THR 47 CO -0.04 -0.00 1.33 0.00 -2.21 0.00 0.00 174.62 173.70 2kcp s ALA 48 N 0.26 3.18 -0.60 11.08 0.00 -1.26 -4.20 121.76 130.21 2kcp s ALA 48 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 2kcp s ALA 48 Cb -0.05 -3.87 0.02 0.00 0.00 0.00 0.00 23.12 19.22 2kcp s ALA 48 CO 0.02 -2.15 0.65 0.09 0.00 0.00 0.00 175.76 174.36 2kcp n ASN 49 N 8.24 -7.08 -0.01 0.00 3.02 -1.26 -4.98 115.26 113.19 2kcp n ASN 49 Ca 0.15 -0.01 -0.12 0.00 -0.03 0.00 0.00 54.58 54.57 2kcp n ASN 49 Cb 0.48 -4.26 -0.10 0.00 -0.61 0.00 0.00 39.78 35.29 2kcp n ASN 49 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kcp h PRO 50 N 1.12 -0.07 -2.09 3.52 0.13 -1.96 -3.48 132.00 129.17 2kcp h PRO 50 Ca -0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.89 2kcp h PRO 50 Cb 1.12 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.08 2kcp h PRO 50 CO 0.27 0.54 0.17 -3.38 -0.23 0.00 0.00 178.00 175.36 2kcp s HIS 51 N -3.27 -0.63 -0.56 1.56 -3.43 -1.26 -5.10 115.29 102.59 2kcp s HIS 51 Ca -0.15 1.06 -0.26 0.00 -0.80 0.00 0.00 55.06 54.90 2kcp s HIS 51 Cb -0.00 0.40 -0.05 0.00 -1.43 0.00 0.00 32.58 31.50 2kcp s HIS 51 CO 0.59 -0.61 2.17 -0.06 -2.00 0.00 0.00 174.74 174.83 2kcp s PHE 52 N -1.29 1.34 -0.00 0.38 0.40 -1.26 -4.92 117.98 112.62 2kcp s PHE 52 Ca -0.11 1.24 -0.04 0.00 -0.60 0.00 0.00 56.93 57.42 2kcp s PHE 52 Cb -0.00 -3.80 -0.00 0.00 0.51 0.00 0.00 43.02 39.72 2kcp s PHE 52 CO 0.09 -2.39 0.07 0.54 0.70 0.00 0.00 175.22 174.23 2kcp s VAL 53 N 10.95 0.07 0.00 -0.44 0.11 -1.26 -5.05 120.40 124.77 2kcp s VAL 53 Ca 0.84 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2kcp s VAL 53 Cb -0.15 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2kcp s VAL 53 CO 0.23 -0.30 0.00 -2.11 -3.33 0.00 0.00 175.10 169.58 2kcp n ARG 54 N 1.98 1.96 -4.14 1.54 1.85 -1.26 -5.07 116.66 113.52 2kcp n ARG 54 Ca -0.20 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.35 2kcp n ARG 54 Cb 0.57 -0.87 -0.08 0.00 -1.05 0.00 0.00 32.46 31.02 2kcp n ARG 54 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2kcp s ARG 55 N -1.57 2.63 -0.47 2.89 3.52 -1.26 -5.07 118.95 119.62 2kcp s ARG 55 Ca 0.00 -0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 54.53 2kcp s ARG 55 Cb 0.00 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 2kcp s ARG 55 CO 0.00 0.56 1.45 -0.80 -0.81 0.00 0.00 175.30 175.69 2kcp s ASN 56 N -2.21 6.21 -0.17 -2.12 0.01 -1.26 -4.98 114.94 110.41 2kcp s ASN 56 Ca 0.25 0.65 -0.01 0.00 -0.71 0.00 0.00 52.86 53.04 2kcp s ASN 56 Cb -0.12 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 39.05 2kcp s ASN 56 CO 0.18 -1.57 -0.02 -0.51 -1.51 0.00 0.00 177.10 173.67 2kcp s ILE 57 N 5.84 0.86 -0.87 0.60 1.10 -1.26 -5.07 121.20 122.41 2kcp s ILE 57 Ca 0.59 -0.56 -0.25 0.00 -0.51 0.00 0.00 60.65 59.92 2kcp s ILE 57 Cb -0.13 -1.15 -0.04 0.00 0.15 0.00 0.00 42.46 41.29 2kcp s ILE 57 CO 0.30 0.02 1.89 -0.63 -2.11 0.00 0.00 174.94 174.41 2kcp s ILE 58 N 1.73 3.47 0.31 2.00 1.01 -1.26 -4.96 121.20 123.51 2kcp s ILE 58 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2kcp s ILE 58 Cb -0.16 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2kcp s ILE 58 CO -0.07 -1.03 0.25 0.28 0.00 0.00 0.00 174.94 174.37 2kcp s THR 59 N 9.51 3.71 -0.12 2.92 -1.32 -1.26 -4.33 115.64 124.75 2kcp s THR 59 Ca 0.67 -1.42 -0.32 0.00 -1.21 0.00 0.00 61.69 59.42 2kcp s THR 59 Cb -0.07 -3.21 -0.09 0.00 -1.51 0.00 0.00 72.50 67.61 2kcp s THR 59 CO 0.02 -0.22 2.02 -1.14 -2.21 0.00 0.00 174.62 173.09 2kcp n ARG 60 N -1.30 2.19 0.00 7.08 0.63 -1.26 -1.62 116.66 122.38 2kcp n ARG 60 Ca -0.03 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 2kcp n ARG 60 Cb 0.59 -2.86 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 5.00 0.99 3.81 5.14 0.00 -0.72 -5.04 105.19 114.37 2kcp n GLY 61 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.21 2.61 -0.15 4.61 0.00 -0.64 -4.72 121.76 121.26 2kcp s ALA 62 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2kcp s ALA 62 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2kcp s ALA 62 CO 0.00 -1.30 -0.18 0.08 0.00 0.00 0.00 175.76 174.36 2kcp s VAL 63 N -2.99 2.37 0.05 0.00 1.01 -1.26 -0.52 120.40 119.05 2kcp s VAL 63 Ca 0.59 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2kcp s VAL 63 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2kcp s VAL 63 CO 0.54 0.53 0.01 0.68 0.00 0.00 0.00 175.10 176.86 2kcp s VAL 64 N 0.90 4.11 -0.13 2.92 -7.23 -0.08 -2.82 120.40 118.07 2kcp s VAL 64 Ca -0.04 -0.79 -0.22 0.00 -1.81 0.00 0.00 61.98 59.12 2kcp s VAL 64 Cb -0.15 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2kcp s VAL 64 CO -0.03 0.24 0.67 -0.70 -0.31 0.00 0.00 175.10 174.98 2kcp s GLU 65 N -1.95 4.33 0.39 4.82 2.12 0.07 -0.69 118.70 127.79 2kcp s GLU 65 Ca 0.23 0.76 0.04 0.00 0.36 0.00 0.00 54.97 56.36 2kcp s GLU 65 Cb -0.12 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 2kcp s GLU 65 CO 0.15 -0.10 0.11 0.95 -0.54 0.00 0.00 175.26 175.83 2kcp s THR 66 N 1.39 0.74 0.54 -1.70 -4.23 0.73 0.83 115.64 113.93 2kcp s THR 66 Ca 0.33 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.25 2kcp s THR 66 Cb -0.17 -2.45 0.42 0.00 1.34 0.00 0.00 72.50 71.65 2kcp s THR 66 CO 0.14 0.00 2.28 -0.55 -0.54 0.00 0.00 174.62 175.94 2kcp h ASN 67 N 1.87 0.00 -0.61 3.99 -1.07 -1.85 -1.36 115.58 116.54 2kcp h ASN 67 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.00 2kcp h ASN 67 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2kcp h ASN 67 CO 0.60 0.01 0.00 0.18 0.07 0.00 0.00 177.43 178.29 2kcp n LEU 68 N -3.17 3.74 0.00 6.14 4.77 -1.26 -5.05 117.00 122.17 2kcp n LEU 68 Ca -0.02 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 2kcp n LEU 68 Cb 0.13 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2kcp n LEU 68 CO 0.23 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 2kcp n GLY 69 N 1.52 -0.51 3.74 -0.72 0.00 -0.51 -4.94 105.19 103.76 2kcp n GLY 69 Ca 0.22 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 7.54 -0.07 1.61 -0.87 -1.19 -0.19 114.94 117.76 2kcp s ASN 70 Ca 0.00 1.83 0.03 0.00 -1.57 0.00 0.00 52.86 53.14 2kcp s ASN 70 Cb 0.00 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 2kcp s ASN 70 CO 0.00 0.07 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.76 2kcp s VAL 71 N -0.67 1.37 -0.36 1.60 1.01 0.14 -0.74 120.40 122.74 2kcp s VAL 71 Ca 0.42 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 2kcp s VAL 71 Cb -0.24 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2kcp s VAL 71 CO 0.30 0.41 0.62 -0.60 0.00 0.00 0.00 175.10 175.83 2kcp s ARG 72 N 0.52 3.63 0.17 2.72 3.52 0.34 -0.90 118.95 128.94 2kcp s ARG 72 Ca -0.14 -0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.12 2kcp s ARG 72 Cb -0.16 -3.82 -0.09 0.00 -1.56 0.00 0.00 34.95 29.32 2kcp s ARG 72 CO 0.05 -0.75 1.46 0.08 -0.81 0.00 0.00 175.30 175.33 2kcp s VAL 73 N 2.68 2.90 -0.05 7.11 1.01 0.32 -0.53 120.40 133.84 2kcp s VAL 73 Ca 0.23 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 2kcp s VAL 73 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2kcp s VAL 73 CO 0.15 0.07 -0.17 0.35 0.00 0.00 0.00 175.10 175.50 2kcp n THR 74 N 3.53 1.20 -3.07 3.92 -2.24 -0.35 -1.75 114.28 115.52 2kcp n THR 74 Ca 0.11 0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.90 2kcp n THR 74 Cb 0.40 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 66.72 2kcp n THR 74 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kcp s SER 75 N -5.75 6.26 0.17 3.42 0.01 -1.19 -4.72 113.70 111.91 2kcp s SER 75 Ca -0.14 0.63 -0.30 0.00 1.31 0.00 0.00 55.95 57.46 2kcp s SER 75 Cb 0.02 -2.10 -0.07 0.00 0.21 0.00 0.00 66.02 64.07 2kcp s SER 75 CO 0.21 -0.42 1.07 -0.13 0.41 0.00 0.00 173.24 174.37 2kcp s ARG 76 N -4.50 4.63 0.25 12.44 0.52 -1.26 -4.37 118.95 126.66 2kcp s ARG 76 Ca 0.43 1.66 -0.30 0.00 -0.52 0.00 0.00 55.73 57.01 2kcp s ARG 76 Cb -0.10 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 31.99 2kcp s ARG 76 CO 0.40 0.12 1.18 -1.25 0.02 0.00 0.00 175.30 175.77 2kcp s PRO 77 N -0.38 4.52 0.00 3.54 0.04 -1.26 -3.73 135.00 137.73 2kcp s PRO 77 Ca 0.48 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2kcp s PRO 77 Cb -0.28 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2kcp s PRO 77 CO 0.34 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.80 2kcp n GLY 78 N 1.55 1.89 3.65 0.56 0.00 -1.23 -5.04 105.19 106.57 2kcp n GLY 78 Ca 0.01 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 2.68 -1.03 1.61 1.13 -1.24 -1.23 117.38 119.29 2kcp n GLN 79 Ca 0.00 0.96 -0.01 0.00 -1.94 0.00 0.00 57.00 56.01 2kcp n GLN 79 Cb 0.00 -3.00 -0.00 0.00 0.11 0.00 0.00 30.24 27.35 2kcp n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kcp n ASP 80 N 7.97 -5.59 -1.14 1.08 9.92 -1.26 -1.80 116.55 125.72 2kcp n ASP 80 Ca 0.22 0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.41 2kcp n ASP 80 Cb 0.40 -3.20 0.00 0.00 -0.64 0.00 0.00 41.12 37.68 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kcp n GLY 81 N 0.42 0.03 3.03 0.44 0.00 -0.37 -5.05 105.19 103.69 2kcp n GLY 81 Ca -0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.54 0.34 0.08 1.61 0.11 -0.75 -4.94 120.40 114.31 2kcp s VAL 82 Ca 0.03 -1.05 0.09 0.00 -2.93 0.00 0.00 61.98 58.12 2kcp s VAL 82 Cb -0.01 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 2kcp s VAL 82 CO 0.04 -0.47 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.48 2kcp s ILE 83 N -1.56 1.87 0.04 7.04 1.01 -1.26 -3.55 121.20 124.80 2kcp s ILE 83 Ca -0.12 -1.46 0.06 0.00 0.00 0.00 0.00 60.65 59.13 2kcp s ILE 83 Cb -0.09 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2kcp s ILE 83 CO -0.01 0.12 -0.16 0.20 0.00 0.00 0.00 174.94 175.09 2kcp s ASN 84 N -1.61 1.90 0.27 3.58 -0.87 -1.26 0.25 114.94 117.20 2kcp s ASN 84 Ca 0.09 -0.49 -0.17 0.00 -1.57 0.00 0.00 52.86 50.72 2kcp s ASN 84 Cb -0.10 -0.13 0.06 0.00 -0.02 0.00 0.00 41.25 41.07 2kcp s ASN 84 CO 0.03 0.06 0.87 0.61 -2.57 0.00 0.00 177.10 176.11 2kcp n GLY 85 N 1.82 0.83 3.42 0.66 0.00 -0.36 -1.21 105.19 110.34 2kcp n GLY 85 Ca -0.18 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 2kcp n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kcp s VAL 86 N -2.11 2.67 -0.31 1.61 1.01 0.31 -0.36 120.40 123.22 2kcp s VAL 86 Ca 0.19 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2kcp s VAL 86 Cb -0.04 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.29 2kcp s VAL 86 CO 0.08 0.47 1.24 -0.22 0.00 0.00 0.00 175.10 176.67 2kcp s LEU 87 N -1.03 3.89 0.00 3.92 2.96 -0.20 -0.51 118.68 127.71 2kcp s LEU 87 Ca 0.12 1.15 0.04 0.00 -0.22 0.00 0.00 54.13 55.22 2kcp s LEU 87 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 2kcp s LEU 87 CO 0.02 -1.03 0.13 2.30 -1.32 0.00 0.00 176.35 176.46 2kcp n ILE 88 N 6.13 0.00 -3.61 6.68 -5.35 0.08 -4.41 119.36 118.87 2kcp n ILE 88 Ca 0.14 -1.65 -0.29 0.00 -0.27 0.00 0.00 62.75 60.68 2kcp n ILE 88 Cb 0.47 0.67 -0.14 0.00 -1.74 0.00 0.00 39.64 38.90 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 -3.02 0.70 -0.10 6.28 1.81 -1.26 -3.19 118.95 120.17 2kcp s ARG 89 Ca 0.19 -1.26 0.04 0.00 -1.72 0.00 0.00 55.73 52.98 2kcp s ARG 89 Cb 0.01 -1.72 -0.24 0.00 -0.45 0.00 0.00 34.95 32.55 2kcp s ARG 89 CO 0.13 -1.10 0.46 0.39 -0.68 0.00 0.00 175.30 174.50 2kcp n GLU 90 N 4.40 0.69 -4.00 3.54 -0.58 -1.26 -4.88 120.64 118.55 2kcp n GLU 90 Ca 0.04 0.26 -0.36 0.00 -0.42 0.00 0.00 57.16 56.67 2kcp n GLU 90 Cb 0.39 -1.73 -0.08 0.00 -0.57 0.00 0.00 31.44 29.46 2kcp n GLU 90 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kcp s LEU 91 N -6.46 4.10 0.08 -4.62 1.43 -1.26 -5.08 118.68 106.87 2kcp s LEU 91 Ca -0.14 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2kcp s LEU 91 Cb 0.07 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2kcp s LEU 91 CO 0.79 0.34 0.98 -0.70 0.23 0.00 0.00 176.35 177.99 2kcp s GLU 92 N -0.64 4.66 -1.14 1.70 -6.30 -1.26 -4.93 118.70 110.80 2kcp s GLU 92 Ca 0.12 1.46 -0.20 0.00 -2.50 0.00 0.00 54.97 53.85 2kcp s GLU 92 Cb -0.12 -3.39 -0.05 0.00 0.00 0.00 0.00 34.13 30.57 2kcp s GLU 92 CO 0.02 0.13 1.94 -2.39 0.02 0.00 0.00 175.26 174.99 2kcp n HIS 93 N 3.07 3.04 -0.03 5.30 1.44 -1.26 -4.67 115.22 122.11 2kcp n HIS 93 Ca 0.03 -2.12 -0.15 0.00 -2.01 0.00 0.00 57.72 53.48 2kcp n HIS 93 Cb 0.49 -2.35 -0.09 0.00 0.12 0.00 0.00 29.99 28.16 2kcp n HIS 93 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kcp h HIS 94 N 8.09 0.46 -3.37 -1.40 3.86 -2.06 -3.43 115.15 117.31 2kcp h HIS 94 Ca 0.39 -0.20 -0.57 0.00 -1.16 0.00 0.00 60.37 58.83 2kcp h HIS 94 Cb 0.79 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 29.13 2kcp h HIS 94 CO 1.31 0.94 0.91 -1.58 0.86 0.00 0.00 177.93 180.37 2kcp s HIS 95 N -3.63 2.93 0.67 2.45 5.65 -1.26 -5.04 115.29 117.06 2kcp s HIS 95 Ca -0.14 0.98 -0.09 0.00 0.25 0.00 0.00 55.06 56.06 2kcp s HIS 95 Cb 0.04 -3.95 0.02 0.00 -1.18 0.00 0.00 32.58 27.51 2kcp s HIS 95 CO 0.78 -1.17 1.03 -1.01 -0.65 0.00 0.00 174.74 173.72 2kcp s HIS 96 N 4.09 3.25 0.64 3.88 3.76 -1.26 -5.10 115.29 124.55 2kcp s HIS 96 Ca 0.49 0.84 0.06 0.00 -0.15 0.00 0.00 55.06 56.30 2kcp s HIS 96 Cb -0.12 -2.99 0.12 0.00 1.11 0.00 0.00 32.58 30.70 2kcp s HIS 96 CO 0.22 -1.11 0.88 -2.39 -0.85 0.00 0.00 174.74 171.49 2kcp n HIS 97 N -2.87 -2.56 1.81 1.40 1.44 -1.26 -5.27 115.22 107.90 2kcp n HIS 97 Ca 0.06 -1.96 0.14 0.00 -2.01 0.00 0.00 57.72 53.95 2kcp n HIS 97 Cb 0.58 -0.62 0.86 0.00 0.12 0.00 0.00 29.99 30.92 2kcp n HIS 97 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11