#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpu s SER 2 N 0.00 1.42 -0.22 6.43 0.01 -1.26 -4.71 113.70 115.36 2kpu s SER 2 Ca 0.00 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 2kpu s SER 2 Cb 0.00 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.78 2kpu s SER 2 CO 0.00 -0.37 0.52 -1.58 0.41 0.00 0.00 173.24 172.22 2kpu s GLN 3 N 2.38 4.14 0.00 12.44 0.74 -1.26 -4.93 119.66 133.18 2kpu s GLN 3 Ca 0.09 0.39 0.21 0.00 0.05 0.00 0.00 55.36 56.10 2kpu s GLN 3 Cb -0.14 -3.60 0.19 0.00 1.10 0.00 0.00 33.01 30.55 2kpu s GLN 3 CO -0.28 -0.24 1.18 0.25 -0.55 0.00 0.00 175.29 175.66 2kpu n THR 4 N 4.80 0.04 1.04 -0.34 -2.24 -1.26 -4.16 114.28 112.16 2kpu n THR 4 Ca -0.04 -0.52 0.13 0.00 -2.27 0.00 0.00 64.05 61.34 2kpu n THR 4 Cb 0.50 1.40 0.35 0.00 -2.10 0.00 0.00 70.33 70.49 2kpu n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kpu n LEU 5 N 1.20 0.44 -4.62 3.22 4.77 -1.26 -4.82 117.00 115.92 2kpu n LEU 5 Ca 0.13 0.08 -0.32 0.00 -0.03 0.00 0.00 56.01 55.87 2kpu n LEU 5 Cb 0.53 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2kpu n LEU 5 CO 0.13 0.10 -0.37 -0.62 -1.33 0.00 0.00 177.39 175.31 2kpu s ASP 6 N -2.93 4.75 0.35 -1.43 -1.08 -1.26 -5.02 116.67 110.06 2kpu s ASP 6 Ca 0.14 -0.14 0.23 0.00 -0.52 0.00 0.00 52.55 52.26 2kpu s ASP 6 Cb 0.18 -1.13 0.21 0.00 -1.46 0.00 0.00 42.92 40.72 2kpu s ASP 6 CO 0.64 0.26 1.39 0.03 0.52 0.00 0.00 175.17 178.02 2kpu h ARG 7 N 4.31 0.00 -0.83 4.34 2.47 -1.91 -3.43 114.38 119.32 2kpu h ARG 7 Ca -0.48 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.29 2kpu h ARG 7 Cb 1.17 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.29 2kpu h ARG 7 CO 0.55 0.00 -0.31 0.16 0.56 0.00 0.00 179.97 180.92 2kpu s ASP 8 N -5.88 -1.35 0.56 7.04 -4.77 -1.26 -3.37 116.67 107.64 2kpu s ASP 8 Ca 0.04 -0.01 -0.07 0.00 -3.30 0.00 0.00 52.55 49.21 2kpu s ASP 8 Cb 0.07 1.82 -0.02 0.00 -1.09 0.00 0.00 42.92 43.70 2kpu s ASP 8 CO 0.72 -0.23 0.89 -2.16 0.70 0.00 0.00 175.17 175.09 2kpu s PRO 9 N 2.66 3.29 -0.50 2.11 0.04 -1.20 -4.78 135.00 136.62 2kpu s PRO 9 Ca 0.14 0.24 -0.19 0.00 0.04 0.00 0.00 61.00 61.23 2kpu s PRO 9 Cb -0.07 -2.26 0.06 0.00 0.04 0.00 0.00 34.50 32.26 2kpu s PRO 9 CO -0.22 -0.50 0.63 0.99 0.04 0.00 0.00 177.00 177.95 2kpu s THR 10 N -2.95 4.86 0.16 1.26 2.01 -1.26 -1.79 115.64 117.93 2kpu s THR 10 Ca 0.52 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 2kpu s THR 10 Cb -0.11 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 2kpu s THR 10 CO 0.47 -0.80 0.82 -0.22 -0.69 0.00 0.00 174.62 174.19 2kpu s LEU 11 N 2.66 4.58 -0.24 4.42 2.96 0.13 -4.80 118.68 128.40 2kpu s LEU 11 Ca 0.16 1.69 -0.00 0.00 -0.22 0.00 0.00 54.13 55.75 2kpu s LEU 11 Cb -0.19 -3.36 0.03 0.00 0.50 0.00 0.00 46.19 43.17 2kpu s LEU 11 CO 0.12 0.16 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.33 2kpu s THR 12 N -0.95 2.62 -0.02 3.68 2.01 -1.26 0.55 115.64 122.27 2kpu s THR 12 Ca 0.38 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 61.33 2kpu s THR 12 Cb -0.23 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 2kpu s THR 12 CO 0.27 0.23 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.52 2kpu s LEU 13 N 1.29 2.72 0.32 4.42 1.43 0.58 -4.91 118.68 124.54 2kpu s LEU 13 Ca -0.00 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.57 2kpu s LEU 13 Cb -0.16 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 2kpu s LEU 13 CO -0.06 0.32 1.07 -0.44 0.23 0.00 0.00 176.35 177.46 2kpu s SER 14 N -0.98 7.10 -0.22 2.29 0.01 -1.26 0.24 113.70 120.87 2kpu s SER 14 Ca 0.13 2.16 -0.21 0.00 1.31 0.00 0.00 55.95 59.34 2kpu s SER 14 Cb -0.11 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 2kpu s SER 14 CO 0.02 -0.26 0.64 -0.22 0.41 0.00 0.00 173.24 173.84 2kpu s LEU 15 N -1.89 4.11 0.05 2.44 2.96 -0.45 -2.38 118.68 123.52 2kpu s LEU 15 Ca 0.49 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 2kpu s LEU 15 Cb -0.28 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 2kpu s LEU 15 CO 0.35 -0.32 0.10 0.27 -1.32 0.00 0.00 176.35 175.43 2kpu s ILE 16 N 2.17 4.71 -0.39 6.68 -4.36 0.13 -4.72 121.20 125.42 2kpu s ILE 16 Ca 0.28 -0.59 -0.29 0.00 -0.26 0.00 0.00 60.65 59.79 2kpu s ILE 16 Cb -0.16 -3.23 0.02 0.00 1.25 0.00 0.00 42.46 40.35 2kpu s ILE 16 CO 0.10 0.21 1.09 0.00 0.24 0.00 0.00 174.94 176.57 2kpu s ALA 17 N -1.33 3.34 -0.12 2.27 0.00 -1.26 -2.48 121.76 122.18 2kpu s ALA 17 Ca 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 2kpu s ALA 17 Cb -0.12 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 2kpu s ALA 17 CO 0.20 -1.84 -0.09 0.21 0.00 0.00 0.00 175.76 174.24 2kpu s LYS 18 N 4.00 3.25 0.00 0.00 2.20 -0.90 -4.57 119.74 123.71 2kpu s LYS 18 Ca 0.46 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2kpu s LYS 18 Cb -0.10 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2kpu s LYS 18 CO 0.23 0.36 0.00 0.09 -0.36 0.00 0.00 175.35 175.67 2kpu n ASN 19 N 3.12 -1.76 -4.62 1.43 4.13 -1.26 -0.56 115.26 115.74 2kpu n ASN 19 Ca -0.18 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.66 2kpu n ASN 19 Cb 0.53 -1.78 -0.03 0.00 -1.54 0.00 0.00 39.78 36.96 2kpu n ASN 19 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2kpu s THR 20 N -1.92 3.16 1.02 3.41 2.01 -1.24 -4.53 115.64 117.55 2kpu s THR 20 Ca 0.00 0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 2kpu s THR 20 Cb 0.00 -3.17 0.20 0.00 0.01 0.00 0.00 72.50 69.54 2kpu s THR 20 CO 0.00 -0.08 1.07 -2.84 -0.69 0.00 0.00 174.62 172.08 2kpu s PRO 21 N 5.50 0.20 0.44 4.92 0.02 -1.26 -4.93 135.00 139.88 2kpu s PRO 21 Ca 0.91 0.87 0.24 0.00 0.02 0.00 0.00 61.00 63.04 2kpu s PRO 21 Cb -0.34 -1.68 0.81 0.00 0.02 0.00 0.00 34.50 33.32 2kpu s PRO 21 CO 0.36 -2.98 1.78 0.00 -0.33 0.00 0.00 177.00 175.83 2kpu h ALA 22 N -2.09 0.97 -0.08 -1.55 0.00 -2.00 -2.63 119.26 111.88 2kpu h ALA 22 Ca -0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2kpu h ALA 22 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kpu h ALA 22 CO 0.52 0.25 0.00 0.09 0.00 0.00 0.00 179.25 180.11 2kpu n ASN 23 N -3.29 0.92 -4.24 0.00 3.02 -1.26 -4.49 115.26 105.92 2kpu n ASN 23 Ca 0.01 -1.54 -0.33 0.00 -0.03 0.00 0.00 54.58 52.69 2kpu n ASN 23 Cb 0.46 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.43 2kpu n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2kpu s SER 24 N -1.64 3.56 -0.25 6.41 0.01 -0.99 -1.58 113.70 119.21 2kpu s SER 24 Ca 0.32 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2kpu s SER 24 Cb 0.16 -1.55 0.04 0.00 0.21 0.00 0.00 66.02 64.89 2kpu s SER 24 CO 0.26 0.07 -0.08 -0.32 0.41 0.00 0.00 173.24 173.58 2kpu s MET 25 N 0.90 2.58 -0.28 12.44 1.75 0.17 -4.75 119.30 132.10 2kpu s MET 25 Ca -0.04 -1.14 -0.29 0.00 -1.25 0.00 0.00 55.69 52.97 2kpu s MET 25 Cb -0.15 -2.95 -0.00 0.00 2.84 0.00 0.00 34.83 34.57 2kpu s MET 25 CO -0.02 -0.48 1.28 0.42 -0.65 0.00 0.00 175.02 175.58 2kpu s ILE 26 N 1.23 4.18 0.10 10.11 1.01 -1.26 -1.33 121.20 135.25 2kpu s ILE 26 Ca -0.03 1.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.92 2kpu s ILE 26 Cb -0.18 -4.14 -0.24 0.00 0.01 0.00 0.00 42.46 37.91 2kpu s ILE 26 CO -0.05 -0.42 1.22 -0.03 0.00 0.00 0.00 174.94 175.66 2kpu h MET 27 N 9.06 0.35 -6.15 2.79 1.85 -1.70 -3.44 114.93 117.68 2kpu h MET 27 Ca -0.26 -0.47 -0.57 0.00 -0.61 0.00 0.00 59.70 57.79 2kpu h MET 27 Cb 1.10 0.16 -0.05 0.00 0.43 0.00 0.00 31.60 33.24 2kpu h MET 27 CO 1.02 1.17 0.76 0.99 -0.40 0.00 0.00 176.91 180.46 2kpu s THR 28 N -2.96 4.58 0.08 -0.77 2.01 -1.25 -5.00 115.64 112.33 2kpu s THR 28 Ca -0.05 1.89 -0.31 0.00 0.31 0.00 0.00 61.69 63.53 2kpu s THR 28 Cb 0.08 -4.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 2kpu s THR 28 CO 0.88 -0.12 1.40 -0.75 -0.69 0.00 0.00 174.62 175.34 2kpu s LYS 29 N 2.92 4.31 0.06 4.92 2.20 -1.26 -4.93 119.74 127.94 2kpu s LYS 29 Ca 0.48 2.05 -0.31 0.00 -0.36 0.00 0.00 55.97 57.83 2kpu s LYS 29 Cb -0.18 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.70 2kpu s LYS 29 CO 0.12 -0.49 1.49 -0.51 -0.36 0.00 0.00 175.35 175.60 2kpu s LEU 30 N 1.58 4.35 0.00 5.43 1.43 -1.26 -5.02 118.68 125.19 2kpu s LEU 30 Ca 0.65 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 2kpu s LEU 30 Cb -0.35 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2kpu s LEU 30 CO 0.29 -0.77 0.00 -0.81 0.23 0.00 0.00 176.35 175.29 2kpu n PRO 31 N 5.08 1.91 -4.99 1.29 -0.04 -1.26 -4.80 135.00 132.18 2kpu n PRO 31 Ca 0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 2kpu n PRO 31 Cb 0.42 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 2kpu n PRO 31 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2kpu s SER 32 N -1.00 3.46 0.02 3.54 0.01 -1.26 -1.34 113.70 117.12 2kpu s SER 32 Ca 0.00 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 2kpu s SER 32 Cb 0.00 -0.50 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 2kpu s SER 32 CO 0.00 0.30 0.26 0.54 0.41 0.00 0.00 173.24 174.75 2kpu s VAL 33 N -0.74 5.31 -0.22 3.43 0.11 0.14 -4.88 120.40 123.55 2kpu s VAL 33 Ca 0.12 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2kpu s VAL 33 Cb -0.10 -3.57 0.01 0.00 -1.53 0.00 0.00 36.38 31.19 2kpu s VAL 33 CO 0.01 0.34 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.90 2kpu s ARG 34 N -1.85 3.11 -0.08 1.54 0.52 0.40 -0.30 118.95 122.28 2kpu s ARG 34 Ca 0.28 -0.79 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 2kpu s ARG 34 Cb -0.13 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 2kpu s ARG 34 CO 0.17 -0.27 -0.20 0.14 0.02 0.00 0.00 175.30 175.17 2kpu s VAL 35 N 1.38 2.51 -0.17 3.52 -7.23 0.19 -0.79 120.40 119.82 2kpu s VAL 35 Ca 0.04 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2kpu s VAL 35 Cb -0.15 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 2kpu s VAL 35 CO -0.06 0.56 1.07 -0.54 -0.31 0.00 0.00 175.10 175.82 2kpu s LYS 36 N -0.11 4.32 -0.10 4.82 -0.14 -0.24 0.23 119.74 128.52 2kpu s LYS 36 Ca -0.04 1.43 0.04 0.00 -1.36 0.00 0.00 55.97 56.04 2kpu s LYS 36 Cb -0.14 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 2kpu s LYS 36 CO 0.04 -0.52 -0.23 0.95 -0.76 0.00 0.00 175.35 174.83 2kpu s THR 37 N 2.76 1.96 -0.48 2.17 -4.23 -0.74 -0.07 115.64 117.00 2kpu s THR 37 Ca 0.48 -0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 59.85 2kpu s THR 37 Cb -0.18 -1.70 0.06 0.00 1.34 0.00 0.00 72.50 72.02 2kpu s THR 37 CO 0.12 0.54 0.54 -0.70 -0.54 0.00 0.00 174.62 174.58 2kpu s GLU 38 N 0.39 3.08 0.00 3.99 2.12 0.17 -3.21 118.70 125.25 2kpu s GLU 38 Ca -0.18 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.17 2kpu s GLU 38 Cb -0.18 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.13 2kpu s GLU 38 CO 0.08 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.10 2kpu n GLY 39 N 5.17 0.96 3.65 -1.50 0.00 -1.22 -1.66 105.19 110.60 2kpu n GLY 39 Ca -0.08 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 2kpu n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kpu s TYR 40 N -1.08 2.68 -0.55 1.61 1.51 -1.26 -4.64 117.35 115.61 2kpu s TYR 40 Ca 0.00 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 2kpu s TYR 40 Cb 0.00 -1.27 0.21 0.00 -0.11 0.00 0.00 41.96 40.79 2kpu s TYR 40 CO 0.00 0.58 0.55 0.27 -1.11 0.00 0.00 175.55 175.83 2kpu n ASN 41 N -0.93 1.88 -0.02 2.29 0.23 -1.26 -4.84 115.26 112.61 2kpu n ASN 41 Ca -0.06 -3.00 -0.16 0.00 -0.53 0.00 0.00 54.58 50.84 2kpu n ASN 41 Cb 0.60 -0.66 -0.10 0.00 -2.08 0.00 0.00 39.78 37.53 2kpu n ASN 41 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2kpu h PRO 42 N 4.73 0.34 -0.27 -0.53 0.11 -1.98 -3.31 132.00 131.09 2kpu h PRO 42 Ca 0.17 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2kpu h PRO 42 Cb 0.79 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2kpu h PRO 42 CO 0.63 0.99 0.00 -1.13 -0.21 0.00 0.00 178.00 178.27 2kpu n SER 43 N -4.36 3.10 -4.45 -2.05 3.41 -1.26 -4.92 113.62 103.10 2kpu n SER 43 Ca -0.09 -1.91 -0.36 0.00 -0.26 0.00 0.00 58.87 56.25 2kpu n SER 43 Cb 0.57 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.23 2kpu n SER 43 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kpu s ILE 44 N -1.43 4.23 -0.51 -1.33 1.01 -1.25 -5.06 121.20 116.87 2kpu s ILE 44 Ca 0.31 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 2kpu s ILE 44 Cb 0.19 -2.96 0.05 0.00 0.01 0.00 0.00 42.46 39.75 2kpu s ILE 44 CO 0.27 0.37 0.71 0.21 0.00 0.00 0.00 174.94 176.50 2kpu s ASN 45 N 1.41 6.27 0.05 3.58 2.47 -1.26 -4.83 114.94 122.63 2kpu s ASN 45 Ca 0.05 -0.68 0.16 0.00 0.42 0.00 0.00 52.86 52.81 2kpu s ASN 45 Cb -0.15 -2.33 0.67 0.00 -1.45 0.00 0.00 41.25 37.99 2kpu s ASN 45 CO 0.03 -0.97 1.50 1.33 -3.72 0.00 0.00 177.10 175.27 2kpu n VAL 46 N 5.81 1.00 0.92 -5.21 0.24 -1.26 -1.33 118.33 118.50 2kpu n VAL 46 Ca -0.04 0.26 0.13 0.00 -2.04 0.00 0.00 64.34 62.65 2kpu n VAL 46 Cb 0.46 -1.05 0.47 0.00 -1.47 0.00 0.00 33.84 32.26 2kpu n VAL 46 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2kpu n ASN 47 N -1.64 0.28 -0.00 -1.34 3.02 -1.26 -3.12 115.26 111.19 2kpu n ASN 47 Ca 0.03 0.31 0.07 0.00 -0.03 0.00 0.00 54.58 54.97 2kpu n ASN 47 Cb 0.18 -0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 2kpu n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kpu n GLU 48 N -1.65 1.07 -2.22 3.52 1.02 -0.44 -4.91 120.64 117.03 2kpu n GLU 48 Ca 0.06 -0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 2kpu n GLU 48 Cb 0.36 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 2kpu n GLU 48 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kpu s LEU 49 N -3.56 4.35 0.20 -4.62 1.43 -0.99 -5.03 118.68 110.47 2kpu s LEU 49 Ca -0.02 2.22 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 2kpu s LEU 49 Cb 0.10 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2kpu s LEU 49 CO 0.62 -0.64 -0.18 -0.36 0.23 0.00 0.00 176.35 176.02 2kpu s PHE 50 N 1.49 1.90 -0.14 0.29 0.08 -1.26 -4.75 117.98 115.58 2kpu s PHE 50 Ca 0.64 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 57.19 2kpu s PHE 50 Cb -0.34 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2kpu s PHE 50 CO 0.29 0.43 -0.09 0.00 -0.10 0.00 0.00 175.22 175.75 2kpu s ALA 51 N -2.46 2.79 0.02 5.36 0.00 -1.00 -1.18 121.76 125.29 2kpu s ALA 51 Ca 0.21 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.35 2kpu s ALA 51 Cb -0.04 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 2kpu s ALA 51 CO 0.09 0.21 -0.14 1.52 0.00 0.00 0.00 175.76 177.43 2kpu s TYR 52 N 0.40 1.26 -0.22 0.00 1.13 0.15 0.18 117.35 120.25 2kpu s TYR 52 Ca -0.07 -0.31 -0.03 0.00 -1.41 0.00 0.00 57.07 55.24 2kpu s TYR 52 Cb -0.15 -0.77 -0.00 0.00 -1.10 0.00 0.00 41.96 39.94 2kpu s TYR 52 CO 0.04 0.02 -0.05 0.14 -2.51 0.00 0.00 175.55 173.19 2kpu s VAL 53 N -0.67 3.28 -0.68 -3.49 -7.23 -1.03 -1.49 120.40 109.08 2kpu s VAL 53 Ca 0.03 -0.56 -0.24 0.00 -1.81 0.00 0.00 61.98 59.40 2kpu s VAL 53 Cb -0.07 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.42 2kpu s VAL 53 CO 0.01 0.40 1.09 -0.62 -0.31 0.00 0.00 175.10 175.67 2kpu s ASP 54 N 1.46 6.18 -1.22 4.85 -1.08 -1.26 -2.13 116.67 123.46 2kpu s ASP 54 Ca 0.05 -0.75 -0.12 0.00 -0.52 0.00 0.00 52.55 51.22 2kpu s ASP 54 Cb -0.14 -2.47 0.18 0.00 -1.46 0.00 0.00 42.92 39.02 2kpu s ASP 54 CO -0.04 -1.59 1.57 0.18 0.52 0.00 0.00 175.17 175.82 2kpu n LEU 55 N 8.34 5.77 -0.28 -1.34 4.32 0.27 -4.84 117.00 129.26 2kpu n LEU 55 Ca -0.01 -4.59 -0.01 0.00 -0.02 0.00 0.00 56.01 51.39 2kpu n LEU 55 Cb 0.47 -1.55 0.12 0.00 -1.62 0.00 0.00 43.42 40.84 2kpu n LEU 55 CO 0.67 1.02 1.16 0.28 -1.22 0.00 0.00 177.39 179.30 2kpu h SER 56 N 6.56 0.74 -1.26 -1.43 0.02 -1.81 -3.29 113.55 113.08 2kpu h SER 56 Ca 0.33 0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.73 2kpu h SER 56 Cb 0.78 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.11 2kpu h SER 56 CO 1.37 0.48 -0.43 -0.83 -1.14 0.00 0.00 176.83 176.27 2kpu s GLY 57 N -3.09 2.36 -0.27 -3.77 0.00 -1.26 -4.88 107.32 96.42 2kpu s GLY 57 Ca -0.13 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 42.86 2kpu s GLY 57 CO 0.78 -1.90 1.58 1.44 0.00 0.00 0.00 173.10 174.99 2kpu n SER 58 N -1.41 3.78 -4.61 1.64 7.64 -1.26 -4.70 113.62 114.69 2kpu n SER 58 Ca -0.02 -2.95 -0.43 0.00 1.01 0.00 0.00 58.87 56.49 2kpu n SER 58 Cb 0.64 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 2kpu n SER 58 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kpu n GLU 59 N -0.38 2.14 -2.67 1.43 -0.58 -1.26 -4.87 120.64 114.45 2kpu n GLU 59 Ca 0.34 0.64 -0.33 0.00 -0.42 0.00 0.00 57.16 57.40 2kpu n GLU 59 Cb 1.11 -3.17 -0.05 0.00 -0.57 0.00 0.00 31.44 28.75 2kpu n GLU 59 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kpu s PRO 60 N 5.95 4.10 0.00 3.49 0.04 -1.26 -4.78 135.00 142.53 2kpu s PRO 60 Ca 0.99 1.02 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2kpu s PRO 60 Cb -0.37 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2kpu s PRO 60 CO 0.37 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.70 2kpu n GLY 61 N -1.02 0.84 3.53 0.56 0.00 0.11 -4.92 105.19 104.30 2kpu n GLY 61 Ca 0.07 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 2kpu n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kpu s GLU 62 N -1.07 3.39 0.30 1.61 2.12 -1.26 -0.18 118.70 123.60 2kpu s GLU 62 Ca 0.00 -0.15 0.10 0.00 0.36 0.00 0.00 54.97 55.28 2kpu s GLU 62 Cb 0.00 -3.99 -0.05 0.00 0.26 0.00 0.00 34.13 30.35 2kpu s GLU 62 CO 0.00 -1.30 -0.09 -1.01 -0.54 0.00 0.00 175.26 172.32 2kpu s HIS 63 N 3.64 2.46 -0.19 5.30 3.76 -0.28 -4.93 115.29 125.06 2kpu s HIS 63 Ca 0.31 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.72 2kpu s HIS 63 Cb -0.12 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 2kpu s HIS 63 CO 0.22 0.62 0.34 -0.51 -0.85 0.00 0.00 174.74 174.55 2kpu s ASP 64 N -3.61 6.41 -0.08 1.40 1.01 -1.26 -0.61 116.67 119.92 2kpu s ASP 64 Ca 0.32 0.48 0.03 0.00 0.71 0.00 0.00 52.55 54.09 2kpu s ASP 64 Cb -0.03 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 2kpu s ASP 64 CO 0.17 0.01 -0.19 -0.31 0.21 0.00 0.00 175.17 175.06 2kpu s TYR 65 N 0.94 2.62 -0.18 4.23 2.02 0.14 -4.94 117.35 122.18 2kpu s TYR 65 Ca 0.17 -0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 2kpu s TYR 65 Cb -0.14 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2kpu s TYR 65 CO 0.06 -0.14 1.17 -1.21 -1.57 0.00 0.00 175.55 173.86 2kpu s GLU 66 N -0.09 4.26 -0.49 -0.62 2.02 -1.26 -0.90 118.70 121.62 2kpu s GLU 66 Ca -0.04 1.55 -0.28 0.00 0.02 0.00 0.00 54.97 56.22 2kpu s GLU 66 Cb -0.14 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.39 2kpu s GLU 66 CO 0.04 -0.64 1.56 0.08 0.02 0.00 0.00 175.26 176.31 2kpu s VAL 67 N 3.24 3.69 -0.23 2.63 1.01 -0.07 -4.55 120.40 126.11 2kpu s VAL 67 Ca 0.51 0.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.00 2kpu s VAL 67 Cb -0.19 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2kpu s VAL 67 CO 0.12 -0.90 0.14 -0.54 0.00 0.00 0.00 175.10 173.93 2kpu s LYS 68 N 5.65 4.07 0.01 2.72 1.02 -0.55 -4.95 119.74 127.72 2kpu s LYS 68 Ca 0.62 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 56.33 2kpu s LYS 68 Cb -0.14 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 2kpu s LYS 68 CO 0.28 0.11 0.12 0.08 -0.92 0.00 0.00 175.35 175.01 2kpu s VAL 69 N 0.91 4.96 -0.10 3.17 1.01 -1.26 0.34 120.40 129.43 2kpu s VAL 69 Ca 0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2kpu s VAL 69 Cb -0.13 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 2kpu s VAL 69 CO 0.03 0.29 2.08 -0.62 0.00 0.00 0.00 175.10 176.88 2kpu n GLU 70 N 0.93 2.33 -1.58 2.72 -0.58 -0.33 -4.87 120.64 119.26 2kpu n GLU 70 Ca -0.11 0.77 -0.42 0.00 -0.42 0.00 0.00 57.16 56.98 2kpu n GLU 70 Cb 0.52 -3.04 -0.03 0.00 -0.57 0.00 0.00 31.44 28.32 2kpu n GLU 70 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2kpu n PRO 71 N 7.99 1.70 -2.65 3.49 -0.04 -1.26 -4.86 135.00 139.37 2kpu n PRO 71 Ca 0.26 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.69 2kpu n PRO 71 Cb 0.40 -3.22 -0.02 0.00 -0.04 0.00 0.00 33.50 30.62 2kpu n PRO 71 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kpu s ILE 72 N 9.07 4.31 -0.52 0.52 1.09 -1.26 -4.90 121.20 129.51 2kpu s ILE 72 Ca 1.01 1.21 0.01 0.00 -1.10 0.00 0.00 60.65 61.79 2kpu s ILE 72 Cb -0.34 -4.54 0.11 0.00 -1.06 0.00 0.00 42.46 36.62 2kpu s ILE 72 CO 0.34 -0.89 0.89 -0.81 -0.10 0.00 0.00 174.94 174.37 2kpu n PRO 73 N 7.56 1.40 0.00 2.79 -0.04 -1.26 -2.86 135.00 142.58 2kpu n PRO 73 Ca 0.11 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 2kpu n PRO 73 Cb 0.49 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2kpu n PRO 73 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kpu n ASN 74 N 0.17 0.00 -4.04 3.54 4.13 -1.26 -5.09 115.26 112.71 2kpu n ASN 74 Ca 0.06 -0.86 -0.23 0.00 1.68 0.00 0.00 54.58 55.24 2kpu n ASN 74 Cb 0.52 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.60 2kpu n ASN 74 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kpu s ILE 75 N 0.00 1.02 -0.40 2.41 1.01 -1.14 -4.79 121.20 119.30 2kpu s ILE 75 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 2kpu s ILE 75 Cb 0.00 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.59 2kpu s ILE 75 CO 0.00 0.31 0.98 -0.75 0.00 0.00 0.00 174.94 175.48 2kpu s LYS 76 N 0.28 3.77 -0.11 2.79 2.20 -0.66 -4.77 119.74 123.24 2kpu s LYS 76 Ca -0.06 0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 55.79 2kpu s LYS 76 Cb -0.11 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.35 2kpu s LYS 76 CO 0.02 -1.08 0.98 -1.50 -0.36 0.00 0.00 175.35 173.40 2kpu s ILE 77 N 3.73 4.80 -0.20 5.43 2.07 -1.26 0.45 121.20 136.22 2kpu s ILE 77 Ca 0.40 1.99 -0.16 0.00 -1.41 0.00 0.00 60.65 61.47 2kpu s ILE 77 Cb -0.11 -4.29 -0.11 0.00 0.13 0.00 0.00 42.46 38.08 2kpu s ILE 77 CO 0.22 0.02 -0.10 0.52 -1.91 0.00 0.00 174.94 173.69 2kpu n VAL 78 N 4.53 1.50 -3.65 4.00 0.31 0.89 -4.90 118.33 121.00 2kpu n VAL 78 Ca 0.08 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.28 2kpu n VAL 78 Cb 0.49 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 31.21 2kpu n VAL 78 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kpu s GLU 79 N -2.44 0.98 -0.07 5.55 2.12 -1.02 -4.96 118.70 118.85 2kpu s GLU 79 Ca -0.27 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.60 2kpu s GLU 79 Cb 0.07 0.43 -0.00 0.00 0.26 0.00 0.00 34.13 34.89 2kpu s GLU 79 CO 0.44 -0.35 -0.21 0.42 -0.54 0.00 0.00 175.26 175.02 2kpu s ILE 80 N -3.00 1.77 -0.17 -3.70 1.01 -1.26 -1.08 121.20 114.76 2kpu s ILE 80 Ca -0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2kpu s ILE 80 Cb 0.00 -1.53 0.06 0.00 0.01 0.00 0.00 42.46 41.00 2kpu s ILE 80 CO -0.06 0.50 0.08 -0.55 0.00 0.00 0.00 174.94 174.90 2kpu s SER 81 N 0.24 2.36 0.36 3.58 0.15 0.03 -3.34 113.70 117.08 2kpu s SER 81 Ca -0.12 -0.61 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 2kpu s SER 81 Cb -0.15 -0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 63.80 2kpu s SER 81 CO 0.06 -0.34 0.71 -2.16 1.20 0.00 0.00 173.24 172.71 2kpu s PRO 82 N 2.10 3.80 0.14 5.44 0.05 -1.26 -0.46 135.00 144.81 2kpu s PRO 82 Ca 0.02 0.43 -0.02 0.00 0.05 0.00 0.00 61.00 61.47 2kpu s PRO 82 Cb -0.16 -2.46 -0.08 0.00 0.05 0.00 0.00 34.50 31.85 2kpu s PRO 82 CO -0.09 0.07 1.31 0.00 0.05 0.00 0.00 177.00 178.35 2kpu h ARG 83 N 1.63 0.32 -4.49 4.56 3.08 -1.93 -3.45 114.38 114.10 2kpu h ARG 83 Ca -0.47 -0.37 -0.51 0.00 0.07 0.00 0.00 59.98 58.71 2kpu h ARG 83 Cb 1.18 0.11 -0.34 0.00 0.08 0.00 0.00 29.97 31.01 2kpu h ARG 83 CO 0.65 1.06 -0.81 0.08 -1.07 0.00 0.00 179.97 179.88 2kpu s VAL 84 N -3.19 1.08 -0.09 2.04 1.01 -1.26 -0.89 120.40 119.10 2kpu s VAL 84 Ca -0.05 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2kpu s VAL 84 Cb 0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2kpu s VAL 84 CO 0.85 0.34 -0.17 0.68 0.00 0.00 0.00 175.10 176.81 2kpu s VAL 85 N 0.72 2.72 -0.34 2.92 -7.23 -0.07 -4.90 120.40 114.20 2kpu s VAL 85 Ca -0.14 -0.81 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 2kpu s VAL 85 Cb -0.16 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 2kpu s VAL 85 CO 0.03 0.55 0.63 -0.89 -0.31 0.00 0.00 175.10 175.11 2kpu s THR 86 N -0.01 4.91 -0.04 5.32 2.01 -1.26 0.24 115.64 126.81 2kpu s THR 86 Ca -0.05 0.65 0.07 0.00 0.31 0.00 0.00 61.69 62.66 2kpu s THR 86 Cb -0.14 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2kpu s THR 86 CO 0.04 -0.26 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.72 2kpu s LEU 87 N 2.67 2.19 -0.33 4.42 1.43 0.22 -4.93 118.68 124.35 2kpu s LEU 87 Ca 0.24 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 2kpu s LEU 87 Cb -0.15 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 2kpu s LEU 87 CO 0.14 0.31 0.50 -1.58 0.23 0.00 0.00 176.35 175.94 2kpu s GLN 88 N -0.52 3.69 -0.15 1.70 0.74 -1.26 -1.13 119.66 122.72 2kpu s GLN 88 Ca 0.07 -0.11 -0.08 0.00 0.05 0.00 0.00 55.36 55.29 2kpu s GLN 88 Cb -0.11 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 2kpu s GLN 88 CO 0.00 -0.58 0.13 -0.51 -0.55 0.00 0.00 175.29 173.78 2kpu s LEU 89 N 2.35 4.26 0.42 3.68 1.43 0.74 -1.71 118.68 129.85 2kpu s LEU 89 Ca 0.18 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.70 2kpu s LEU 89 Cb -0.16 -2.06 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 2kpu s LEU 89 CO 0.13 0.31 0.04 -1.61 0.23 0.00 0.00 176.35 175.45 2kpu s GLU 90 N -0.43 2.02 0.67 1.70 2.02 -0.44 0.09 118.70 124.34 2kpu s GLU 90 Ca 0.12 -2.08 -0.08 0.00 0.02 0.00 0.00 54.97 52.94 2kpu s GLU 90 Cb -0.12 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.44 2kpu s GLU 90 CO 0.01 -0.08 1.01 -1.01 0.02 0.00 0.00 175.26 175.22 2kpu s HIS 91 N -2.70 3.19 0.20 1.61 3.76 -1.26 0.42 115.29 120.51 2kpu s HIS 91 Ca 0.34 0.75 -0.11 0.00 -0.15 0.00 0.00 55.06 55.90 2kpu s HIS 91 Cb 0.08 -3.01 0.25 0.00 1.11 0.00 0.00 32.58 31.02 2kpu s HIS 91 CO 0.18 -1.14 1.73 1.25 -0.85 0.00 0.00 174.74 175.91 2kpu h HIS 92 N -0.50 0.32 -1.83 1.40 2.76 -1.52 -3.38 115.15 112.40 2kpu h HIS 92 Ca -0.45 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 57.83 2kpu h HIS 92 Cb 1.27 -0.06 -0.21 0.00 1.55 0.00 0.00 27.41 29.97 2kpu h HIS 92 CO 0.44 0.07 -0.03 -1.58 -1.30 0.00 0.00 177.93 175.53 2kpu s HIS 93 N -6.11 -1.17 0.27 5.26 2.46 -1.26 -4.94 115.29 109.80 2kpu s HIS 93 Ca -0.13 2.08 0.08 0.00 0.47 0.00 0.00 55.06 57.55 2kpu s HIS 93 Cb 0.16 0.70 -0.04 0.00 -0.13 0.00 0.00 32.58 33.28 2kpu s HIS 93 CO 0.74 -0.58 0.18 -3.38 -2.47 0.00 0.00 174.74 169.23 2kpu s HIS 94 N 2.56 3.00 0.83 3.88 -3.43 -1.26 -5.12 115.29 115.74 2kpu s HIS 94 Ca -0.06 -0.17 -0.12 0.00 -0.80 0.00 0.00 55.06 53.91 2kpu s HIS 94 Cb -0.10 -1.44 0.09 0.00 -1.43 0.00 0.00 32.58 29.70 2kpu s HIS 94 CO -0.19 0.48 1.16 -1.01 -2.00 0.00 0.00 174.74 173.18 2kpu s HIS 95 N -2.20 2.87 -1.97 0.38 3.76 -1.26 -5.18 115.29 111.70 2kpu s HIS 95 Ca 0.34 0.82 0.16 0.00 -0.15 0.00 0.00 55.06 56.23 2kpu s HIS 95 Cb -0.07 -3.41 0.12 0.00 1.11 0.00 0.00 32.58 30.33 2kpu s HIS 95 CO 0.24 -1.88 1.00 0.72 -0.85 0.00 0.00 174.74 173.98