#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 -4.55 1.61 5.75 -1.26 -4.65 116.55 113.46 2kcp n ASP 2 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 2kcp n ASP 2 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.00 0.59 -3.74 0.11 5.12 -1.26 -4.92 116.66 112.56 2kcp n ARG 3 Ca 0.00 -0.52 -0.36 0.00 -1.93 0.00 0.00 57.85 55.03 2kcp n ARG 3 Cb 0.00 -3.26 -0.11 0.00 -1.16 0.00 0.00 32.46 27.93 2kcp n ARG 3 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kcp s ARG 4 N 8.58 3.90 0.42 5.56 0.52 -1.26 -5.10 118.95 131.57 2kcp s ARG 4 Ca 1.00 -0.36 0.06 0.00 -0.52 0.00 0.00 55.73 55.92 2kcp s ARG 4 Cb -0.27 -3.44 0.07 0.00 0.52 0.00 0.00 34.95 31.84 2kcp s ARG 4 CO 0.19 -0.03 0.59 1.33 0.02 0.00 0.00 175.30 177.40 2kcp n VAL 5 N 4.51 0.00 -0.01 3.52 0.24 -1.26 -5.05 118.33 120.27 2kcp n VAL 5 Ca -0.15 -1.37 -0.17 0.00 -2.04 0.00 0.00 64.34 60.60 2kcp n VAL 5 Cb 0.52 -0.68 -0.08 0.00 -1.47 0.00 0.00 33.84 32.13 2kcp n VAL 5 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2kcp h ARG 6 N 0.00 0.66 0.00 7.34 3.08 -2.06 -3.47 114.38 119.94 2kcp h ARG 6 Ca -0.20 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.27 2kcp h ARG 6 Cb 0.90 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2kcp h ARG 6 CO 0.28 1.19 0.00 1.28 -1.07 0.00 0.00 179.97 181.65 2kcp n LEU 7 N -4.05 0.00 -4.68 3.04 4.77 -1.26 -4.94 117.00 109.89 2kcp n LEU 7 Ca -0.08 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.38 2kcp n LEU 7 Cb 0.71 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.75 2kcp n LEU 7 CO 0.51 0.00 1.33 0.00 -1.33 0.00 0.00 177.39 177.90 2kcp n ILE 8 N -0.44 0.35 0.00 -0.08 0.13 -1.26 -4.92 119.36 113.14 2kcp n ILE 8 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 2kcp n ILE 8 Cb 0.00 -1.48 0.00 0.00 -0.84 0.00 0.00 39.64 37.32 2kcp n ILE 8 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2kcp n ARG 9 N 5.34 0.00 -4.08 9.51 1.74 -1.26 -5.06 116.66 122.85 2kcp n ARG 9 Ca 0.23 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.01 2kcp n ARG 9 Cb 0.22 -0.38 -0.07 0.00 -1.02 0.00 0.00 32.46 31.21 2kcp n ARG 9 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2kcp s THR 10 N -0.78 4.33 -0.30 0.55 -4.23 -1.26 -5.11 115.64 108.85 2kcp s THR 10 Ca 0.00 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 2kcp s THR 10 Cb 0.00 -3.09 0.16 0.00 1.34 0.00 0.00 72.50 70.91 2kcp s THR 10 CO 0.00 0.10 0.97 -0.60 -0.54 0.00 0.00 174.62 174.55 2kcp s ARG 11 N -2.41 0.33 0.00 3.99 3.00 -1.26 -5.17 118.95 117.43 2kcp s ARG 11 Ca 0.28 0.75 0.00 0.00 -1.00 0.00 0.00 55.73 55.76 2kcp s ARG 11 Cb -0.12 0.36 0.00 0.00 0.00 0.00 0.00 34.95 35.19 2kcp s ARG 11 CO 0.21 -0.10 0.00 0.41 0.00 0.00 0.00 175.30 175.82 2kcp n GLY 12 N 4.65 4.07 0.00 8.12 0.00 -1.26 -5.15 105.19 115.62 2kcp n GLY 12 Ca -0.12 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.63 0.71 0.00 -0.02 0.00 -1.26 -5.14 105.19 97.84 2kcp n GLY 13 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2kcp n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kcp n ASN 14 N 0.00 0.00 -4.63 1.61 2.85 -1.26 -5.11 115.26 108.72 2kcp n ASN 14 Ca 0.00 -0.99 -0.43 0.00 -0.11 0.00 0.00 54.58 53.05 2kcp n ASN 14 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 2kcp n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kcp s THR 15 N -2.92 3.36 0.61 -0.44 2.01 -1.26 -4.98 115.64 112.02 2kcp s THR 15 Ca 0.00 0.40 -0.13 0.00 0.31 0.00 0.00 61.69 62.27 2kcp s THR 15 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2kcp s THR 15 CO 0.00 -0.16 1.03 -1.59 -0.69 0.00 0.00 174.62 173.21 2kcp s LYS 16 N 5.11 3.46 0.55 4.92 0.00 -1.26 -5.08 119.74 127.44 2kcp s LYS 16 Ca 0.83 0.90 -0.07 0.00 0.00 0.00 0.00 55.97 57.64 2kcp s LYS 16 Cb -0.31 -2.06 -0.02 0.00 0.00 0.00 0.00 37.83 35.44 2kcp s LYS 16 CO 0.34 -0.68 0.88 0.54 0.00 0.00 0.00 175.35 176.43 2kcp s VAL 17 N -2.94 4.36 1.05 1.79 0.11 -1.26 -5.06 120.40 118.45 2kcp s VAL 17 Ca 0.58 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.75 2kcp s VAL 17 Cb -0.12 -3.70 0.22 0.00 -1.53 0.00 0.00 36.38 31.25 2kcp s VAL 17 CO 0.47 -0.74 1.07 0.00 -3.33 0.00 0.00 175.10 172.57 2kcp s ARG 18 N -4.93 -0.02 -0.48 1.54 1.70 -1.26 -4.87 118.95 110.63 2kcp s ARG 18 Ca 0.51 0.69 -0.27 0.00 -0.47 0.00 0.00 55.73 56.19 2kcp s ARG 18 Cb -0.11 -1.67 -0.08 0.00 -0.57 0.00 0.00 34.95 32.53 2kcp s ARG 18 CO 0.47 -3.08 2.41 -0.11 -1.08 0.00 0.00 175.30 173.90 2kcp n LEU 19 N -4.44 2.32 0.10 -1.89 0.00 0.32 -4.17 117.00 109.23 2kcp n LEU 19 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 56.01 55.70 2kcp n LEU 19 Cb 0.56 -1.54 0.00 0.00 0.00 0.00 0.00 43.42 42.44 2kcp n LEU 19 CO 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 177.39 176.56 2kcp n ALA 20 N 14.95 0.02 0.28 1.96 0.00 -1.26 -4.89 120.51 131.57 2kcp n ALA 20 Ca 0.38 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.88 2kcp n ALA 20 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.16 2kcp n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kcp n SER 21 N -2.89 3.00 -3.47 0.00 7.64 -1.26 -4.92 113.62 111.73 2kcp n SER 21 Ca 0.00 -2.25 -0.11 0.00 1.01 0.00 0.00 58.87 57.52 2kcp n SER 21 Cb 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 2kcp n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kcp s ASP 22 N -0.76 -0.49 -0.17 6.43 2.15 -1.26 -5.16 116.67 117.41 2kcp s ASP 22 Ca 0.31 0.08 -0.01 0.00 0.43 0.00 0.00 52.55 53.36 2kcp s ASP 22 Cb 0.19 0.50 0.05 0.00 -0.30 0.00 0.00 42.92 43.36 2kcp s ASP 22 CO 0.15 -0.78 -0.01 -0.89 -0.17 0.00 0.00 175.17 173.47 2kcp s THR 23 N -3.16 0.80 0.23 1.71 2.01 -1.26 -4.69 115.64 111.26 2kcp s THR 23 Ca 0.01 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.26 2kcp s THR 23 Cb -0.01 -1.11 0.04 0.00 0.01 0.00 0.00 72.50 71.43 2kcp s THR 23 CO -0.09 -0.00 0.82 -0.13 -0.69 0.00 0.00 174.62 174.53 2kcp s ARG 24 N 1.76 1.53 -0.10 4.92 0.52 -1.26 -3.99 118.95 122.33 2kcp s ARG 24 Ca 0.00 -0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 54.28 2kcp s ARG 24 Cb -0.16 0.52 0.03 0.00 0.52 0.00 0.00 34.95 35.86 2kcp s ARG 24 CO -0.07 -0.70 0.25 -1.50 0.02 0.00 0.00 175.30 173.30 2kcp s ILE 25 N -3.65 -0.00 -0.49 1.52 2.07 0.13 -4.48 121.20 116.30 2kcp s ILE 25 Ca 0.12 0.01 -0.28 0.00 -1.41 0.00 0.00 60.65 59.09 2kcp s ILE 25 Cb -0.04 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.19 2kcp s ILE 25 CO 0.05 0.00 1.51 0.20 -1.91 0.00 0.00 174.94 174.80 2kcp s ASN 26 N 0.22 6.07 -0.24 4.50 0.01 0.25 -0.74 114.94 125.01 2kcp s ASN 26 Ca -0.01 0.61 -0.13 0.00 -0.71 0.00 0.00 52.86 52.62 2kcp s ASN 26 Cb -0.02 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2kcp s ASN 26 CO -0.00 -1.69 0.27 -0.69 -1.51 0.00 0.00 177.10 173.48 2kcp s VAL 27 N 6.29 5.27 -0.38 1.60 1.01 0.28 -1.04 120.40 133.43 2kcp s VAL 27 Ca 0.61 0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 2kcp s VAL 27 Cb -0.13 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2kcp s VAL 27 CO 0.28 0.27 0.47 -0.69 0.00 0.00 0.00 175.10 175.44 2kcp s VAL 28 N 1.39 5.05 -0.35 2.92 1.01 -0.17 -1.26 120.40 128.99 2kcp s VAL 28 Ca 0.12 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 2kcp s VAL 28 Cb -0.15 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.27 2kcp s VAL 28 CO 0.07 -0.30 1.11 -0.62 0.00 0.00 0.00 175.10 175.36 2kcp s ASP 29 N 1.80 6.84 0.07 3.32 -1.08 0.27 -1.05 116.67 126.84 2kcp s ASP 29 Ca 0.15 0.95 0.27 0.00 -0.52 0.00 0.00 52.55 53.41 2kcp s ASP 29 Cb -0.16 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.66 2kcp s ASP 29 CO 0.14 -0.98 1.74 -0.81 0.52 0.00 0.00 175.17 175.78 2kcp n PRO 30 N 7.12 0.10 0.09 4.34 -0.04 -1.26 -0.09 135.00 145.25 2kcp n PRO 30 Ca 0.12 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 2kcp n PRO 30 Cb 0.47 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 2kcp n PRO 30 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kcp h GLU 31 N 0.00 0.62 0.00 0.54 4.39 -1.91 -3.40 114.58 114.82 2kcp h GLU 31 Ca 0.00 -0.80 0.00 0.00 0.34 0.00 0.00 59.36 58.90 2kcp h GLU 31 Cb 0.59 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2kcp h GLU 31 CO 0.00 1.36 -0.94 0.25 -1.16 0.00 0.00 179.01 178.53 2kcp n THR 32 N -3.79 0.00 -0.77 1.13 -2.24 -1.25 -5.05 114.28 102.31 2kcp n THR 32 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2kcp n THR 32 Cb 0.97 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 2.70 1.30 3.88 3.38 0.00 0.87 -5.09 105.19 112.23 2kcp n GLY 33 Ca 0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.09 3.48 -0.33 1.61 -2.85 -1.20 -4.87 119.74 113.48 2kcp s LYS 34 Ca 0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 55.97 54.74 2kcp s LYS 34 Cb 0.00 -3.16 0.02 0.00 -2.06 0.00 0.00 37.83 32.64 2kcp s LYS 34 CO 0.00 0.74 0.13 0.08 0.10 0.00 0.00 175.35 176.39 2kcp s VAL 35 N -1.13 4.11 0.00 1.79 1.01 -1.26 -0.57 120.40 124.35 2kcp s VAL 35 Ca 0.20 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2kcp s VAL 35 Cb -0.12 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 2kcp s VAL 35 CO 0.09 -0.09 -0.09 -0.70 0.00 0.00 0.00 175.10 174.32 2kcp s GLU 36 N 1.49 0.68 -0.44 2.72 2.12 -0.39 -4.95 118.70 119.93 2kcp s GLU 36 Ca 0.01 -0.39 -0.27 0.00 0.36 0.00 0.00 54.97 54.68 2kcp s GLU 36 Cb -0.18 -0.64 0.02 0.00 0.26 0.00 0.00 34.13 33.59 2kcp s GLU 36 CO 0.04 0.17 1.00 0.42 -0.54 0.00 0.00 175.26 176.35 2kcp s ILE 37 N -0.38 4.42 0.20 -3.70 1.01 -1.26 -0.56 121.20 120.92 2kcp s ILE 37 Ca 0.02 1.04 0.05 0.00 0.00 0.00 0.00 60.65 61.76 2kcp s ILE 37 Cb -0.04 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 2kcp s ILE 37 CO -0.00 -0.80 0.23 0.00 0.00 0.00 0.00 174.94 174.36 2kcp s ALA 38 N 3.90 3.73 0.08 9.38 0.00 0.08 -4.86 121.76 134.07 2kcp s ALA 38 Ca 0.41 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 2kcp s ALA 38 Cb -0.10 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 2kcp s ALA 38 CO 0.26 0.40 0.83 -1.21 0.00 0.00 0.00 175.76 176.03 2kcp s GLU 39 N -3.49 4.57 -0.42 0.00 2.02 -1.26 -0.70 118.70 119.42 2kcp s GLU 39 Ca 0.33 1.19 -0.26 0.00 0.02 0.00 0.00 54.97 56.25 2kcp s GLU 39 Cb -0.10 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.80 2kcp s GLU 39 CO 0.26 0.30 0.96 0.42 0.02 0.00 0.00 175.26 177.22 2kcp s ILE 40 N -0.19 4.48 -0.14 -1.63 1.01 -1.26 -3.29 121.20 120.18 2kcp s ILE 40 Ca 0.41 1.04 -0.19 0.00 0.00 0.00 0.00 60.65 61.91 2kcp s ILE 40 Cb -0.22 -4.42 -0.16 0.00 0.01 0.00 0.00 42.46 37.67 2kcp s ILE 40 CO 0.25 -0.73 0.38 0.03 0.00 0.00 0.00 174.94 174.88 2kcp h ARG 41 N 8.82 0.00 -5.14 2.79 3.08 -0.51 -3.47 114.38 119.95 2kcp h ARG 41 Ca -0.23 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.23 2kcp h ARG 41 Cb 1.07 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.80 2kcp h ARG 41 CO 1.02 0.66 -0.85 -0.80 -1.07 0.00 0.00 179.97 178.94 2kcp s ASN 42 N -6.13 2.35 -0.02 7.04 0.01 -1.10 -4.98 114.94 112.12 2kcp s ASN 42 Ca -0.16 -0.40 0.09 0.00 -0.71 0.00 0.00 52.86 51.68 2kcp s ASN 42 Cb -0.00 -0.90 0.28 0.00 0.41 0.00 0.00 41.25 41.04 2kcp s ASN 42 CO 0.46 0.13 1.18 1.33 -1.51 0.00 0.00 177.10 178.68 2kcp n VAL 43 N 3.43 0.55 -3.93 1.60 0.24 -1.26 -1.41 118.33 117.55 2kcp n VAL 43 Ca -0.20 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.34 61.52 2kcp n VAL 43 Cb 0.52 0.08 -0.15 0.00 -1.47 0.00 0.00 33.84 32.83 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp s VAL 44 N -1.62 0.11 0.00 3.34 0.11 -1.26 -4.75 120.40 116.33 2kcp s VAL 44 Ca 0.21 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2kcp s VAL 44 Cb 0.12 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.83 2kcp s VAL 44 CO 0.12 0.07 1.44 -1.84 -3.33 0.00 0.00 175.10 171.56 2kcp n GLU 45 N 3.43 0.99 -2.07 1.54 0.28 -1.03 -4.70 120.64 119.08 2kcp n GLU 45 Ca -0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.64 2kcp n GLU 45 Cb 0.56 -1.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.39 2kcp n GLU 45 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kcp n ASN 46 N 0.96 -5.13 -4.91 -1.84 5.15 -1.26 -4.96 115.26 103.27 2kcp n ASN 46 Ca 0.00 0.20 -0.28 0.00 -0.60 0.00 0.00 54.58 53.90 2kcp n ASN 46 Cb 0.50 -4.40 0.07 0.00 -0.53 0.00 0.00 39.78 35.41 2kcp n ASN 46 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2kcp s THR 47 N -2.77 2.64 -0.36 -0.44 -1.32 -1.26 -5.06 115.64 107.07 2kcp s THR 47 Ca 0.00 0.06 -0.09 0.00 -1.21 0.00 0.00 61.69 60.45 2kcp s THR 47 Cb 0.00 -3.18 0.04 0.00 -1.51 0.00 0.00 72.50 67.85 2kcp s THR 47 CO 0.00 -0.22 0.16 0.00 -2.21 0.00 0.00 174.62 172.35 2kcp s ALA 48 N -3.37 3.16 -0.27 11.08 0.00 -1.26 -4.81 121.76 126.28 2kcp s ALA 48 Ca 0.60 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 2kcp s ALA 48 Cb -0.11 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2kcp s ALA 48 CO 0.48 -1.39 0.11 -1.71 0.00 0.00 0.00 175.76 173.26 2kcp n ASN 49 N 4.90 -7.66 -4.60 0.00 2.85 -1.26 -4.82 115.26 104.66 2kcp n ASN 49 Ca -0.12 1.06 -0.43 0.00 -0.11 0.00 0.00 54.58 54.98 2kcp n ASN 49 Cb 0.45 -4.50 -0.03 0.00 1.24 0.00 0.00 39.78 36.94 2kcp n ASN 49 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2kcp s PRO 50 N -1.69 3.21 0.00 1.20 0.02 -1.26 -4.85 135.00 131.63 2kcp s PRO 50 Ca 0.05 1.87 0.26 0.00 0.02 0.00 0.00 61.00 63.21 2kcp s PRO 50 Cb -0.01 -4.32 1.51 0.00 0.02 0.00 0.00 34.50 31.71 2kcp s PRO 50 CO 0.64 -2.01 1.91 0.72 -0.33 0.00 0.00 177.00 177.93 2kcp n HIS 51 N 11.20 0.00 -0.33 6.54 8.25 -1.26 -2.54 115.22 137.08 2kcp n HIS 51 Ca 0.28 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.80 2kcp n HIS 51 Cb 0.45 -0.06 0.31 0.00 1.12 0.00 0.00 29.99 31.81 2kcp n HIS 51 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kcp n PHE 52 N -1.06 1.40 -2.10 4.41 7.35 -1.26 -4.91 117.46 121.29 2kcp n PHE 52 Ca 0.18 -0.53 -0.18 0.00 -0.76 0.00 0.00 57.45 56.16 2kcp n PHE 52 Cb 0.11 -0.30 -0.03 0.00 0.35 0.00 0.00 39.48 39.62 2kcp n PHE 52 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2kcp n VAL 53 N 0.75 -0.61 -1.83 -2.13 0.31 -1.05 -4.90 118.33 108.86 2kcp n VAL 53 Ca 0.22 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.13 2kcp n VAL 53 Cb 0.85 -2.43 -0.01 0.00 -0.91 0.00 0.00 33.84 31.34 2kcp n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kcp n ARG 54 N -2.68 2.65 -1.78 5.55 1.74 -1.26 -4.86 116.66 116.01 2kcp n ARG 54 Ca -0.21 -2.62 -0.38 0.00 -0.77 0.00 0.00 57.85 53.87 2kcp n ARG 54 Cb 0.65 -3.30 -0.04 0.00 -1.02 0.00 0.00 32.46 28.75 2kcp n ARG 54 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kcp n ARG 55 N 6.84 2.01 -1.25 5.56 0.63 -1.26 -4.19 116.66 125.00 2kcp n ARG 55 Ca 0.51 -2.40 -0.11 0.00 -0.92 0.00 0.00 57.85 54.92 2kcp n ARG 55 Cb 0.41 -3.34 -0.05 0.00 0.45 0.00 0.00 32.46 29.93 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 9.77 -4.07 -4.67 6.15 4.13 -1.26 -4.93 115.26 120.38 2kcp n ASN 56 Ca 0.48 0.28 -0.39 0.00 1.68 0.00 0.00 54.58 56.63 2kcp n ASN 56 Cb 0.43 -3.39 -0.07 0.00 -1.54 0.00 0.00 39.78 35.21 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2kcp s ILE 57 N -1.88 5.15 -0.23 2.41 2.07 -1.26 -4.96 121.20 122.50 2kcp s ILE 57 Ca 0.00 0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 59.83 2kcp s ILE 57 Cb 0.00 -3.80 -0.03 0.00 0.13 0.00 0.00 42.46 38.76 2kcp s ILE 57 CO 0.00 0.22 1.72 -0.63 -1.91 0.00 0.00 174.94 174.35 2kcp s ILE 58 N 1.37 3.55 0.10 2.00 1.01 -1.26 -4.91 121.20 123.06 2kcp s ILE 58 Ca 0.23 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.51 2kcp s ILE 58 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2kcp s ILE 58 CO 0.09 -0.29 -0.07 0.42 0.00 0.00 0.00 174.94 175.09 2kcp s THR 59 N 5.79 0.75 0.13 2.92 -4.23 -1.26 -4.55 115.64 115.19 2kcp s THR 59 Ca 0.77 -1.92 -0.34 0.00 -1.18 0.00 0.00 61.69 59.01 2kcp s THR 59 Cb -0.26 -1.66 -0.14 0.00 1.34 0.00 0.00 72.50 71.78 2kcp s THR 59 CO 0.32 -0.84 1.58 -1.14 -0.54 0.00 0.00 174.62 174.00 2kcp n ARG 60 N -0.00 2.04 0.00 3.99 0.63 -1.26 -1.58 116.66 120.47 2kcp n ARG 60 Ca -0.12 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2kcp n ARG 60 Cb 0.61 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 31.02 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 3.41 1.48 3.79 5.14 0.00 0.01 -5.01 105.19 114.01 2kcp n GLY 61 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.37 3.21 -0.20 4.61 0.00 -0.61 -4.82 121.76 121.58 2kcp s ALA 62 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 2kcp s ALA 62 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2kcp s ALA 62 CO 0.00 0.19 -0.01 0.08 0.00 0.00 0.00 175.76 176.02 2kcp s VAL 63 N -1.70 3.87 0.17 0.00 1.01 -1.26 -0.66 120.40 121.83 2kcp s VAL 63 Ca 0.51 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2kcp s VAL 63 Cb -0.17 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2kcp s VAL 63 CO 0.22 0.43 0.09 0.68 0.00 0.00 0.00 175.10 176.52 2kcp s VAL 64 N 1.00 4.23 -0.10 2.92 -7.23 0.32 -2.45 120.40 119.08 2kcp s VAL 64 Ca 0.01 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 2kcp s VAL 64 Cb -0.14 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 2kcp s VAL 64 CO 0.01 -0.11 0.36 -0.70 -0.31 0.00 0.00 175.10 174.35 2kcp s GLU 65 N -3.06 4.13 0.36 4.82 2.56 -0.50 -0.62 118.70 126.39 2kcp s GLU 65 Ca 0.30 0.26 0.06 0.00 0.00 0.00 0.00 54.97 55.59 2kcp s GLU 65 Cb -0.10 -3.36 -0.03 0.00 2.00 0.00 0.00 34.13 32.65 2kcp s GLU 65 CO 0.22 0.38 0.23 0.95 -0.56 0.00 0.00 175.26 176.48 2kcp s THR 66 N -0.01 0.17 -0.37 -1.70 -4.23 0.28 0.29 115.64 110.08 2kcp s THR 66 Ca 0.21 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.97 2kcp s THR 66 Cb -0.14 -2.43 0.27 0.00 1.34 0.00 0.00 72.50 71.53 2kcp s THR 66 CO 0.08 0.00 1.75 -0.55 -0.54 0.00 0.00 174.62 175.36 2kcp h ASN 67 N 2.01 0.00 0.09 3.99 -1.07 -1.92 -2.42 115.58 116.26 2kcp h ASN 67 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 2kcp h ASN 67 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2kcp h ASN 67 CO 0.42 0.00 -1.30 0.18 0.07 0.00 0.00 177.43 176.80 2kcp n LEU 68 N -2.36 0.61 0.00 6.14 4.77 -1.26 -5.08 117.00 119.83 2kcp n LEU 68 Ca 0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2kcp n LEU 68 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2kcp n LEU 68 CO 0.20 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2kcp n GLY 69 N 1.40 0.49 3.71 -0.72 0.00 -0.91 -5.01 105.19 104.15 2kcp n GLY 69 Ca 0.01 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 7.19 -0.06 1.61 0.02 -1.24 -0.55 114.94 117.90 2kcp s ASN 70 Ca 0.00 1.44 0.05 0.00 -1.02 0.00 0.00 52.86 53.32 2kcp s ASN 70 Cb 0.00 -2.50 -0.00 0.00 0.02 0.00 0.00 41.25 38.77 2kcp s ASN 70 CO 0.00 -0.23 -0.21 -0.69 0.02 0.00 0.00 177.10 175.99 2kcp s VAL 71 N 1.09 1.76 -0.25 1.60 1.01 0.21 -0.25 120.40 125.57 2kcp s VAL 71 Ca 0.45 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2kcp s VAL 71 Cb -0.19 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2kcp s VAL 71 CO 0.22 0.50 0.41 -0.60 0.00 0.00 0.00 175.10 175.63 2kcp s ARG 72 N 0.09 4.06 -0.26 2.72 3.52 0.00 -0.52 118.95 128.56 2kcp s ARG 72 Ca -0.08 0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.38 2kcp s ARG 72 Cb -0.14 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 2kcp s ARG 72 CO 0.04 -0.25 1.88 0.08 -0.81 0.00 0.00 175.30 176.25 2kcp s VAL 73 N 1.97 3.37 -0.13 7.11 1.01 0.17 -2.03 120.40 131.88 2kcp s VAL 73 Ca 0.17 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 2kcp s VAL 73 Cb -0.16 -3.46 -0.25 0.00 0.00 0.00 0.00 36.38 32.51 2kcp s VAL 73 CO 0.09 -0.27 0.31 0.35 0.00 0.00 0.00 175.10 175.59 2kcp n THR 74 N 7.24 1.74 -4.44 3.92 -2.24 -0.60 -0.81 114.28 119.09 2kcp n THR 74 Ca 0.24 -0.66 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 2kcp n THR 74 Cb 0.46 -1.64 -0.09 0.00 -2.10 0.00 0.00 70.33 66.95 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 -6.90 3.88 0.28 3.42 0.01 -1.20 -4.82 113.70 108.36 2kcp s SER 75 Ca -0.23 -1.02 -0.29 0.00 1.31 0.00 0.00 55.95 55.72 2kcp s SER 75 Cb 0.07 -0.43 -0.10 0.00 0.21 0.00 0.00 66.02 65.77 2kcp s SER 75 CO 0.75 -0.09 1.29 -0.13 0.41 0.00 0.00 173.24 175.47 2kcp s ARG 76 N -3.60 4.40 -0.50 12.44 1.81 -1.26 -4.61 118.95 127.62 2kcp s ARG 76 Ca 0.32 2.13 -0.26 0.00 -1.72 0.00 0.00 55.73 56.19 2kcp s ARG 76 Cb -0.02 -3.12 -0.06 0.00 -0.45 0.00 0.00 34.95 31.30 2kcp s ARG 76 CO 0.17 -0.17 2.31 -1.25 -0.68 0.00 0.00 175.30 175.68 2kcp s PRO 77 N -1.20 2.21 0.00 3.54 0.04 -1.26 -3.08 135.00 135.25 2kcp s PRO 77 Ca 0.51 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2kcp s PRO 77 Cb -0.38 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.61 2kcp s PRO 77 CO 0.47 -3.16 0.00 0.41 0.04 0.00 0.00 177.00 174.76 2kcp n GLY 78 N 5.94 0.35 3.66 0.56 0.00 -1.22 -4.99 105.19 109.48 2kcp n GLY 78 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 4.08 -0.59 1.61 -1.52 -1.18 -0.79 119.66 121.27 2kcp s GLN 79 Ca 0.00 2.58 0.00 0.00 -1.95 0.00 0.00 55.36 55.99 2kcp s GLN 79 Cb 0.00 -4.18 0.00 0.00 -0.22 0.00 0.00 33.01 28.61 2kcp s GLN 79 CO 0.00 -1.03 0.00 -3.47 -0.25 0.00 0.00 175.29 170.54 2kcp n ASP 80 N 7.80 -5.50 0.00 5.90 2.03 -1.26 -1.14 116.55 124.38 2kcp n ASP 80 Ca 0.21 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2kcp n ASP 80 Cb 0.41 -3.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.32 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 0.13 0.53 3.28 0.27 0.00 0.03 -4.89 105.19 104.54 2kcp n GLY 81 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.21 0.55 -0.03 1.61 0.11 -0.29 -0.52 120.40 119.62 2kcp s VAL 82 Ca 0.00 -1.99 -0.01 0.00 -2.93 0.00 0.00 61.98 57.05 2kcp s VAL 82 Cb 0.00 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 2kcp s VAL 82 CO 0.00 -0.15 0.06 -0.63 -3.33 0.00 0.00 175.10 171.04 2kcp s ILE 83 N -3.76 4.63 -0.05 7.04 1.01 -1.26 -3.45 121.20 125.37 2kcp s ILE 83 Ca 0.33 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.69 2kcp s ILE 83 Cb 0.07 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 2kcp s ILE 83 CO 0.10 0.43 -0.20 0.20 0.00 0.00 0.00 174.94 175.47 2kcp s ASN 84 N -1.48 2.53 0.37 3.58 0.01 -1.26 -0.58 114.94 118.11 2kcp s ASN 84 Ca 0.20 -0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 51.84 2kcp s ASN 84 Cb -0.12 -0.65 0.03 0.00 0.41 0.00 0.00 41.25 40.92 2kcp s ASN 84 CO 0.10 0.20 0.65 -0.83 -1.51 0.00 0.00 177.10 175.71 2kcp s GLY 85 N -0.10 0.96 -0.01 0.66 0.00 -0.20 -1.55 107.32 107.08 2kcp s GLY 85 Ca -0.02 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.62 2kcp s GLY 85 CO 0.02 -0.66 -0.23 0.14 0.00 0.00 0.00 173.10 172.38 2kcp s VAL 86 N -2.57 2.38 -0.09 1.40 1.01 -0.86 -1.00 120.40 120.66 2kcp s VAL 86 Ca 0.23 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2kcp s VAL 86 Cb -0.03 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2kcp s VAL 86 CO 0.16 0.51 1.14 -0.22 0.00 0.00 0.00 175.10 176.69 2kcp s LEU 87 N -0.87 4.25 0.00 3.92 2.96 -0.21 -0.82 118.68 127.91 2kcp s LEU 87 Ca 0.11 1.69 0.04 0.00 -0.22 0.00 0.00 54.13 55.76 2kcp s LEU 87 Cb -0.10 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2kcp s LEU 87 CO 0.01 -0.57 0.17 2.30 -1.32 0.00 0.00 176.35 176.94 2kcp n ILE 88 N 4.72 0.00 -3.95 6.68 -5.35 0.66 -4.39 119.36 117.72 2kcp n ILE 88 Ca 0.11 -1.45 -0.31 0.00 -0.27 0.00 0.00 62.75 60.83 2kcp n ILE 88 Cb 0.47 0.73 -0.15 0.00 -1.74 0.00 0.00 39.64 38.95 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 -2.80 1.32 -0.05 6.28 3.00 -1.26 -3.66 118.95 121.77 2kcp s ARG 89 Ca 0.24 -1.71 -0.07 0.00 0.00 0.00 0.00 55.73 54.18 2kcp s ARG 89 Cb 0.01 -2.94 -0.03 0.00 0.00 0.00 0.00 34.95 31.99 2kcp s ARG 89 CO 0.17 -0.95 -0.15 0.39 0.00 0.00 0.00 175.30 174.75 2kcp n GLU 90 N 4.36 0.24 -2.39 3.54 -0.58 -1.26 -5.05 120.64 119.50 2kcp n GLU 90 Ca 0.03 0.10 -0.31 0.00 -0.42 0.00 0.00 57.16 56.55 2kcp n GLU 90 Cb 0.42 -0.91 -0.02 0.00 -0.57 0.00 0.00 31.44 30.35 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 -7.18 3.58 -0.00 -4.62 1.43 -1.26 -5.06 118.68 105.57 2kcp s LEU 91 Ca -0.14 1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 54.22 2kcp s LEU 91 Cb 0.03 -4.39 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 2kcp s LEU 91 CO 0.19 -0.61 0.52 -0.70 0.23 0.00 0.00 176.35 175.99 2kcp s GLU 92 N -4.27 4.19 -0.43 1.70 -6.30 -1.26 -5.05 118.70 107.28 2kcp s GLU 92 Ca 0.56 0.60 0.05 0.00 -2.50 0.00 0.00 54.97 53.69 2kcp s GLU 92 Cb -0.10 -3.30 0.17 0.00 0.00 0.00 0.00 34.13 30.90 2kcp s GLU 92 CO 0.36 0.48 0.49 -1.58 0.02 0.00 0.00 175.26 175.04 2kcp s HIS 93 N -0.51 -0.37 0.41 5.30 2.46 -1.26 -5.13 115.29 116.18 2kcp s HIS 93 Ca 0.28 -1.16 0.08 0.00 0.47 0.00 0.00 55.06 54.72 2kcp s HIS 93 Cb -0.18 -0.29 -0.04 0.00 -0.13 0.00 0.00 32.58 31.95 2kcp s HIS 93 CO 0.15 -1.04 0.25 -3.38 -2.47 0.00 0.00 174.74 168.26 2kcp s HIS 94 N 0.83 2.66 0.43 3.88 -3.43 -1.26 -5.13 115.29 113.28 2kcp s HIS 94 Ca 0.26 -0.53 -0.22 0.00 -0.80 0.00 0.00 55.06 53.77 2kcp s HIS 94 Cb -0.04 -2.01 -0.09 0.00 -1.43 0.00 0.00 32.58 29.01 2kcp s HIS 94 CO -0.09 0.08 1.02 -1.01 -2.00 0.00 0.00 174.74 172.74 2kcp s HIS 95 N -2.53 3.23 -0.22 0.38 3.76 -1.26 -5.05 115.29 113.60 2kcp s HIS 95 Ca 0.43 1.63 -0.01 0.00 -0.15 0.00 0.00 55.06 56.97 2kcp s HIS 95 Cb 0.00 -3.03 0.02 0.00 1.11 0.00 0.00 32.58 30.68 2kcp s HIS 95 CO 0.25 -0.51 -0.12 -1.58 -0.85 0.00 0.00 174.74 171.92 2kcp s HIS 96 N -1.86 2.95 -0.81 1.40 2.46 -1.26 -5.05 115.29 113.12 2kcp s HIS 96 Ca 0.61 -1.55 -0.25 0.00 0.47 0.00 0.00 55.06 54.33 2kcp s HIS 96 Cb -0.17 -2.00 -0.10 0.00 -0.13 0.00 0.00 32.58 30.18 2kcp s HIS 96 CO 0.22 -0.74 2.22 -1.58 -2.47 0.00 0.00 174.74 172.38 2kcp s HIS 97 N 1.32 1.40 -2.00 3.88 5.04 -1.26 -5.36 115.29 118.31 2kcp s HIS 97 Ca 0.02 1.43 0.00 0.00 -1.54 0.00 0.00 55.06 54.97 2kcp s HIS 97 Cb -0.15 -3.69 0.02 0.00 0.04 0.00 0.00 32.58 28.80 2kcp s HIS 97 CO -0.08 -1.71 0.52 -2.39 -2.34 0.00 0.00 174.74 168.74