#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 5.65 0.00 4.04 0.01 -1.26 -4.95 113.70 117.18 2kpu s SER 2 Ca 0.00 0.90 0.19 0.00 1.31 0.00 0.00 55.95 58.35 2kpu s SER 2 Cb 0.00 -1.87 1.06 0.00 0.21 0.00 0.00 66.02 65.42 2kpu s SER 2 CO 0.00 -1.09 1.69 0.00 0.41 0.00 0.00 173.24 174.25 2kpu n GLN 3 N -2.69 1.12 -3.58 12.44 1.13 -1.26 -4.76 117.38 119.77 2kpu n GLN 3 Ca 0.05 -0.17 -0.13 0.00 -1.94 0.00 0.00 57.00 54.80 2kpu n GLN 3 Cb 0.57 -1.31 -0.05 0.00 0.11 0.00 0.00 30.24 29.56 2kpu n GLN 3 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2kpu s THR 4 N -1.97 0.03 0.30 5.09 2.01 -1.26 -5.14 115.64 114.70 2kpu s THR 4 Ca 0.29 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2kpu s THR 4 Cb 0.14 -0.99 -0.13 0.00 0.01 0.00 0.00 72.50 71.52 2kpu s THR 4 CO 0.22 -0.16 1.26 0.18 -0.69 0.00 0.00 174.62 175.44 2kpu n LEU 5 N 0.31 3.01 0.00 4.42 4.77 -1.26 -4.86 117.00 123.39 2kpu n LEU 5 Ca -0.18 1.18 0.11 0.00 -0.03 0.00 0.00 56.01 57.09 2kpu n LEU 5 Cb 0.61 -1.42 0.48 0.00 -2.33 0.00 0.00 43.42 40.76 2kpu n LEU 5 CO 0.19 -0.70 0.85 0.47 -1.33 0.00 0.00 177.39 176.87 2kpu n ASP 6 N 1.27 0.00 -0.83 -1.43 8.00 -1.26 -1.43 116.55 120.87 2kpu n ASP 6 Ca 0.08 0.45 0.12 0.00 0.71 0.00 0.00 54.79 56.15 2kpu n ASP 6 Cb 0.34 -0.48 0.21 0.00 -0.02 0.00 0.00 41.12 41.16 2kpu n ASP 6 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kpu n ARG 7 N -1.48 2.15 -3.88 -1.24 1.74 -1.26 -4.76 116.66 107.93 2kpu n ARG 7 Ca 0.06 -1.67 -0.31 0.00 -0.77 0.00 0.00 57.85 55.15 2kpu n ARG 7 Cb 0.25 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.10 2kpu n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kpu s ASP 8 N -2.01 4.68 0.05 0.55 1.11 -0.52 -1.20 116.67 119.34 2kpu s ASP 8 Ca 0.30 -3.21 -0.31 0.00 0.18 0.00 0.00 52.55 49.52 2kpu s ASP 8 Cb 0.20 -1.69 -0.07 0.00 1.07 0.00 0.00 42.92 42.43 2kpu s ASP 8 CO 0.31 -0.22 1.51 -2.84 1.18 0.00 0.00 175.17 175.11 2kpu s PRO 9 N -0.57 4.25 -0.32 8.23 0.02 -1.12 -4.68 135.00 140.81 2kpu s PRO 9 Ca 0.19 2.14 -0.20 0.00 0.02 0.00 0.00 61.00 63.15 2kpu s PRO 9 Cb -0.19 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.80 2kpu s PRO 9 CO -0.05 -0.62 0.62 0.99 -0.33 0.00 0.00 177.00 177.61 2kpu s THR 10 N 2.27 4.93 -0.14 0.99 2.01 -1.26 -0.79 115.64 123.64 2kpu s THR 10 Ca 0.68 0.73 -0.03 0.00 0.31 0.00 0.00 61.69 63.38 2kpu s THR 10 Cb -0.36 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 2kpu s THR 10 CO 0.29 -0.20 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.23 2kpu s LEU 11 N 2.62 3.29 -0.52 4.42 1.43 0.73 -4.94 118.68 125.71 2kpu s LEU 11 Ca 0.24 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 2kpu s LEU 11 Cb -0.15 -1.78 0.13 0.00 0.03 0.00 0.00 46.19 44.42 2kpu s LEU 11 CO 0.13 0.21 0.44 -0.89 0.23 0.00 0.00 176.35 176.46 2kpu s THR 12 N 0.13 4.68 -0.13 5.49 2.01 -1.26 -0.54 115.64 126.02 2kpu s THR 12 Ca -0.01 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.20 2kpu s THR 12 Cb -0.14 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2kpu s THR 12 CO 0.03 -0.83 0.01 -0.76 -0.69 0.00 0.00 174.62 172.38 2kpu s LEU 13 N 1.34 3.60 0.34 4.42 1.43 0.01 -4.88 118.68 124.94 2kpu s LEU 13 Ca 0.06 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.95 2kpu s LEU 13 Cb -0.27 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 2kpu s LEU 13 CO 0.00 0.26 1.11 -0.44 0.23 0.00 0.00 176.35 177.51 2kpu s SER 14 N -0.19 6.95 -0.21 2.29 0.01 -1.26 0.58 113.70 121.86 2kpu s SER 14 Ca 0.06 2.24 -0.23 0.00 1.31 0.00 0.00 55.95 59.33 2kpu s SER 14 Cb -0.12 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 2kpu s SER 14 CO 0.02 -0.37 0.73 -0.22 0.41 0.00 0.00 173.24 173.81 2kpu s LEU 15 N -2.01 4.13 0.15 2.44 2.96 0.34 -2.01 118.68 124.69 2kpu s LEU 15 Ca 0.51 0.95 0.06 0.00 -0.22 0.00 0.00 54.13 55.43 2kpu s LEU 15 Cb -0.29 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2kpu s LEU 15 CO 0.37 -0.37 0.04 0.27 -1.32 0.00 0.00 176.35 175.34 2kpu s ILE 16 N 2.26 4.00 -0.44 6.68 -4.36 0.14 -4.61 121.20 124.87 2kpu s ILE 16 Ca 0.32 -1.24 -0.28 0.00 -0.26 0.00 0.00 60.65 59.20 2kpu s ILE 16 Cb -0.16 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.58 2kpu s ILE 16 CO 0.10 -0.06 1.04 0.00 0.24 0.00 0.00 174.94 176.26 2kpu s ALA 17 N -1.65 3.24 -0.12 2.27 0.00 -1.26 -2.05 121.76 122.19 2kpu s ALA 17 Ca 0.28 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 2kpu s ALA 17 Cb -0.10 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 2kpu s ALA 17 CO 0.20 -2.04 -0.05 0.21 0.00 0.00 0.00 175.76 174.08 2kpu s LYS 18 N 4.05 3.26 -1.61 0.00 2.20 -0.65 -4.52 119.74 122.46 2kpu s LYS 18 Ca 0.43 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2kpu s LYS 18 Cb -0.09 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2kpu s LYS 18 CO 0.27 0.45 0.00 -1.71 -0.36 0.00 0.00 175.35 174.00 2kpu n ASN 19 N 2.89 -5.32 -4.65 1.43 5.15 -1.26 -1.03 115.26 112.46 2kpu n ASN 19 Ca -0.18 0.38 -0.43 0.00 -0.60 0.00 0.00 54.58 53.75 2kpu n ASN 19 Cb 0.53 -4.16 -0.02 0.00 -0.53 0.00 0.00 39.78 35.60 2kpu n ASN 19 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kpu s THR 20 N -2.40 3.98 1.17 -0.44 2.01 -1.26 -4.49 115.64 114.21 2kpu s THR 20 Ca 0.00 1.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.98 2kpu s THR 20 Cb 0.00 -3.81 0.29 0.00 0.01 0.00 0.00 72.50 68.98 2kpu s THR 20 CO 0.00 -0.16 1.18 -2.65 -0.69 0.00 0.00 174.62 172.30 2kpu n PRO 21 N 6.96 -2.62 -1.95 4.92 -0.02 -1.26 -5.05 135.00 135.97 2kpu n PRO 21 Ca 0.16 -1.87 -0.30 0.00 -2.02 0.00 0.00 63.50 59.46 2kpu n PRO 21 Cb 0.44 -1.58 0.02 0.00 -0.02 0.00 0.00 33.50 32.36 2kpu n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kpu s ALA 22 N -3.31 3.08 0.00 3.55 0.00 -1.26 -4.01 121.76 119.80 2kpu s ALA 22 Ca 0.73 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2kpu s ALA 22 Cb -0.06 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2kpu s ALA 22 CO 0.55 -0.79 0.00 0.09 0.00 0.00 0.00 175.76 175.61 2kpu n ASN 23 N -2.78 0.00 -4.55 0.00 3.02 -1.26 -4.88 115.26 104.81 2kpu n ASN 23 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 2kpu n ASN 23 Cb 0.55 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 2kpu n ASN 23 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2kpu s SER 24 N 0.00 5.92 -0.23 6.41 1.04 -1.26 -0.29 113.70 125.29 2kpu s SER 24 Ca 0.00 -0.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.98 2kpu s SER 24 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2kpu s SER 24 CO 0.00 -1.99 0.11 -0.32 0.98 0.00 0.00 173.24 172.02 2kpu s MET 25 N 6.05 3.90 -0.76 4.02 0.00 -0.03 -4.79 119.30 127.70 2kpu s MET 25 Ca 0.46 -0.36 -0.24 0.00 0.00 0.00 0.00 55.69 55.55 2kpu s MET 25 Cb -0.08 -3.38 0.06 0.00 0.00 0.00 0.00 34.83 31.42 2kpu s MET 25 CO 0.13 0.03 1.14 0.42 0.00 0.00 0.00 175.02 176.74 2kpu s ILE 26 N 1.08 4.13 -0.38 10.11 1.01 -1.26 0.45 121.20 136.34 2kpu s ILE 26 Ca 0.05 -0.30 0.24 0.00 0.00 0.00 0.00 60.65 60.64 2kpu s ILE 26 Cb -0.14 -4.82 0.33 0.00 0.01 0.00 0.00 42.46 37.85 2kpu s ILE 26 CO 0.04 -1.65 1.64 -0.03 0.00 0.00 0.00 174.94 174.93 2kpu h MET 27 N 9.66 0.00 -6.42 2.79 4.05 -1.84 -3.41 114.93 119.77 2kpu h MET 27 Ca -0.17 0.00 -0.55 0.00 -0.28 0.00 0.00 59.70 58.70 2kpu h MET 27 Cb 1.05 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.79 2kpu h MET 27 CO 1.24 0.02 1.10 0.99 0.23 0.00 0.00 176.91 180.49 2kpu s THR 28 N -3.24 3.79 0.19 -0.77 2.01 -1.25 -4.96 115.64 111.41 2kpu s THR 28 Ca 0.06 0.70 -0.33 0.00 0.31 0.00 0.00 61.69 62.44 2kpu s THR 28 Cb 0.05 -4.37 -0.14 0.00 0.01 0.00 0.00 72.50 68.06 2kpu s THR 28 CO 0.66 -1.07 1.48 0.29 -0.69 0.00 0.00 174.62 175.29 2kpu n LYS 29 N 8.56 2.03 -2.20 4.92 5.02 -1.26 -4.86 118.16 130.36 2kpu n LYS 29 Ca 0.14 0.73 -0.43 0.00 -2.02 0.00 0.00 58.31 56.73 2kpu n LYS 29 Cb 0.49 -2.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.04 2kpu n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kpu s LEU 30 N 0.50 3.87 0.00 -0.35 2.01 -1.26 -4.99 118.68 118.46 2kpu s LEU 30 Ca 0.74 1.47 0.00 0.00 0.01 0.00 0.00 54.13 56.35 2kpu s LEU 30 Cb -0.68 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 41.98 2kpu s LEU 30 CO 0.44 -1.23 0.00 -0.81 1.01 0.00 0.00 176.35 175.76 2kpu n PRO 31 N 7.60 1.74 -5.08 1.29 -0.04 -1.26 -4.75 135.00 134.49 2kpu n PRO 31 Ca 0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.34 2kpu n PRO 31 Cb 0.46 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.76 2kpu n PRO 31 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2kpu s SER 32 N -1.00 2.98 0.04 3.54 1.04 -1.26 -0.50 113.70 118.54 2kpu s SER 32 Ca 0.00 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 2kpu s SER 32 Cb 0.00 -0.30 -0.06 0.00 0.10 0.00 0.00 66.02 65.76 2kpu s SER 32 CO 0.00 0.28 0.40 0.68 0.98 0.00 0.00 173.24 175.58 2kpu s VAL 33 N -0.68 5.07 -0.57 5.02 -7.23 0.19 -4.89 120.40 117.32 2kpu s VAL 33 Ca 0.10 0.61 -0.03 0.00 -1.81 0.00 0.00 61.98 60.85 2kpu s VAL 33 Cb -0.10 -3.67 0.15 0.00 0.56 0.00 0.00 36.38 33.33 2kpu s VAL 33 CO 0.00 0.42 0.39 -0.60 -0.31 0.00 0.00 175.10 175.00 2kpu s ARG 34 N -1.54 2.45 0.30 4.82 3.52 0.36 -0.81 118.95 128.05 2kpu s ARG 34 Ca 0.29 -2.32 0.05 0.00 -0.13 0.00 0.00 55.73 53.62 2kpu s ARG 34 Cb -0.15 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.50 2kpu s ARG 34 CO 0.16 -1.15 0.44 0.14 -0.81 0.00 0.00 175.30 174.07 2kpu s VAL 35 N 0.30 4.66 -0.14 7.11 -7.23 0.30 -3.95 120.40 121.45 2kpu s VAL 35 Ca 0.14 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2kpu s VAL 35 Cb -0.21 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.11 2kpu s VAL 35 CO -0.04 -0.27 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.56 2kpu s LYS 36 N -4.12 2.52 0.48 4.82 2.20 -0.28 -0.19 119.74 125.18 2kpu s LYS 36 Ca 0.40 -0.66 0.05 0.00 -0.36 0.00 0.00 55.97 55.41 2kpu s LYS 36 Cb -0.09 -2.16 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 2kpu s LYS 36 CO 0.31 -0.12 0.26 0.95 -0.36 0.00 0.00 175.35 176.38 2kpu s THR 37 N 1.14 1.86 -0.18 3.43 -4.23 0.03 -0.99 115.64 116.69 2kpu s THR 37 Ca -0.02 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 2kpu s THR 37 Cb -0.14 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.23 2kpu s THR 37 CO -0.06 0.00 -0.13 -0.70 -0.54 0.00 0.00 174.62 173.19 2kpu s GLU 38 N -4.07 2.26 0.00 3.99 2.12 0.14 -2.81 118.70 120.32 2kpu s GLU 38 Ca 0.32 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.93 2kpu s GLU 38 Cb 0.00 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 32.09 2kpu s GLU 38 CO 0.19 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 2kpu n GLY 39 N 4.71 0.33 3.16 -1.50 0.00 -0.34 -2.52 105.19 109.03 2kpu n GLY 39 Ca -0.16 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.87 0.20 -0.78 1.61 2.02 -1.26 -4.45 117.35 112.82 2kpu s TYR 40 Ca 0.00 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2kpu s TYR 40 Cb 0.00 -0.13 0.19 0.00 -0.40 0.00 0.00 41.96 41.63 2kpu s TYR 40 CO 0.00 -0.45 0.62 -0.80 -1.57 0.00 0.00 175.55 173.35 2kpu s ASN 41 N -2.53 5.43 -0.02 2.29 -0.87 -1.26 -4.88 114.94 113.10 2kpu s ASN 41 Ca 0.01 -3.63 -0.01 0.00 -1.57 0.00 0.00 52.86 47.66 2kpu s ASN 41 Cb 0.03 -1.80 -0.00 0.00 -0.02 0.00 0.00 41.25 39.46 2kpu s ASN 41 CO -0.08 -0.17 -0.01 1.55 -2.57 0.00 0.00 177.10 175.82 2kpu h PRO 42 N 5.95 0.00 0.00 -0.60 0.14 -2.03 -3.42 132.00 132.04 2kpu h PRO 42 Ca 0.12 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.26 2kpu h PRO 42 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.95 2kpu h PRO 42 CO 0.78 0.00 -1.01 -1.13 0.14 0.00 0.00 178.00 176.79 2kpu n SER 43 N -2.50 0.62 -4.62 1.44 3.41 -1.26 -4.86 113.62 105.85 2kpu n SER 43 Ca -0.00 -0.18 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 2kpu n SER 43 Cb 0.02 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 64.68 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 -3.20 4.81 -0.08 -1.33 1.01 -1.26 -5.02 121.20 116.13 2kpu s ILE 44 Ca 0.04 1.22 -0.25 0.00 0.00 0.00 0.00 60.65 61.66 2kpu s ILE 44 Cb 0.14 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2kpu s ILE 44 CO 0.80 -0.22 0.79 0.21 0.00 0.00 0.00 174.94 176.52 2kpu s ASN 45 N 1.58 7.05 0.38 3.58 2.47 -1.26 -4.87 114.94 123.87 2kpu s ASN 45 Ca 0.32 1.27 0.28 0.00 0.42 0.00 0.00 52.86 55.15 2kpu s ASN 45 Cb -0.14 -2.45 1.07 0.00 -1.45 0.00 0.00 41.25 38.28 2kpu s ASN 45 CO 0.12 -0.22 1.82 -0.37 -3.72 0.00 0.00 177.10 174.72 2kpu h VAL 46 N 4.89 0.00 -0.02 -5.21 -1.51 -1.95 -1.04 116.25 111.41 2kpu h VAL 46 Ca -0.38 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2kpu h VAL 46 Cb 1.18 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2kpu h VAL 46 CO 0.78 0.00 -0.00 0.59 -1.23 0.00 0.00 177.57 177.70 2kpu n ASN 47 N -2.63 1.68 -0.07 4.19 3.02 -1.26 -3.66 115.26 116.52 2kpu n ASN 47 Ca 0.02 -1.55 -0.05 0.00 -0.03 0.00 0.00 54.58 52.96 2kpu n ASN 47 Cb 0.30 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.33 2kpu n ASN 47 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kpu n GLU 48 N 0.31 1.06 -2.84 3.52 2.13 -0.44 -4.92 120.64 119.45 2kpu n GLU 48 Ca 0.18 -0.04 -0.40 0.00 0.66 0.00 0.00 57.16 57.56 2kpu n GLU 48 Cb 0.38 -1.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.60 2kpu n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kpu s LEU 49 N -5.10 4.51 0.16 4.31 1.43 -0.91 -5.06 118.68 118.02 2kpu s LEU 49 Ca -0.08 1.68 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 2kpu s LEU 49 Cb 0.06 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2kpu s LEU 49 CO 0.72 0.02 -0.14 -0.36 0.23 0.00 0.00 176.35 176.81 2kpu s PHE 50 N -0.28 1.55 -0.09 0.29 0.08 -1.26 -4.69 117.98 113.57 2kpu s PHE 50 Ca 0.42 -0.57 -0.01 0.00 0.12 0.00 0.00 56.93 56.89 2kpu s PHE 50 Cb -0.23 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 2kpu s PHE 50 CO 0.27 0.23 -0.02 0.00 -0.10 0.00 0.00 175.22 175.60 2kpu s ALA 51 N -2.50 3.16 0.05 5.36 0.00 -0.85 -2.59 121.76 124.39 2kpu s ALA 51 Ca 0.15 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2kpu s ALA 51 Cb -0.03 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2kpu s ALA 51 CO 0.04 0.53 -0.07 1.52 0.00 0.00 0.00 175.76 177.78 2kpu s TYR 52 N -0.67 0.66 -0.24 0.00 1.13 0.12 0.24 117.35 118.60 2kpu s TYR 52 Ca 0.10 -0.58 -0.04 0.00 -1.41 0.00 0.00 57.07 55.15 2kpu s TYR 52 Cb -0.12 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 2kpu s TYR 52 CO 0.02 -0.11 -0.04 0.14 -2.51 0.00 0.00 175.55 173.05 2kpu s VAL 53 N -1.77 3.28 -0.70 -3.49 -7.23 -0.87 -0.12 120.40 109.50 2kpu s VAL 53 Ca -0.07 -0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 59.22 2kpu s VAL 53 Cb -0.07 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.39 2kpu s VAL 53 CO -0.01 0.32 0.97 -0.62 -0.31 0.00 0.00 175.10 175.46 2kpu s ASP 54 N 1.44 6.24 -1.39 4.85 2.15 -1.26 -1.63 116.67 127.06 2kpu s ASP 54 Ca 0.04 -1.18 -0.11 0.00 0.43 0.00 0.00 52.55 51.74 2kpu s ASP 54 Cb -0.15 -2.41 0.08 0.00 -0.30 0.00 0.00 42.92 40.14 2kpu s ASP 54 CO -0.03 -1.37 2.20 0.18 -0.17 0.00 0.00 175.17 175.98 2kpu n LEU 55 N 7.46 7.16 0.24 -1.34 4.77 -0.20 -4.57 117.00 130.54 2kpu n LEU 55 Ca -0.00 -4.46 0.14 0.00 -0.03 0.00 0.00 56.01 51.66 2kpu n LEU 55 Cb 0.46 -1.54 0.44 0.00 -2.33 0.00 0.00 43.42 40.45 2kpu n LEU 55 CO 0.62 1.45 0.88 0.77 -1.33 0.00 0.00 177.39 179.78 2kpu h SER 56 N 5.61 0.00 -2.74 -1.43 4.64 -1.83 -3.40 113.55 114.39 2kpu h SER 56 Ca 0.55 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 61.22 2kpu h SER 56 Cb 0.55 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 2kpu h SER 56 CO 1.73 0.05 -0.46 -0.83 -0.87 0.00 0.00 176.83 176.45 2kpu s GLY 57 N -4.22 2.19 -0.41 -0.77 0.00 -1.26 -4.99 107.32 97.86 2kpu s GLY 57 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 2kpu s GLY 57 CO 0.61 -0.44 1.94 1.44 0.00 0.00 0.00 173.10 176.65 2kpu n SER 58 N 1.54 6.24 -4.60 1.64 7.64 -1.26 -4.95 113.62 119.87 2kpu n SER 58 Ca -0.16 -3.25 -0.43 0.00 1.01 0.00 0.00 58.87 56.04 2kpu n SER 58 Cb 0.54 -0.97 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 2kpu n SER 58 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kpu s GLU 59 N -2.41 3.32 0.13 1.43 0.41 -1.26 -4.97 118.70 115.34 2kpu s GLU 59 Ca 0.41 1.59 -0.20 0.00 -0.41 0.00 0.00 54.97 56.36 2kpu s GLU 59 Cb 0.33 -4.23 -0.07 0.00 -1.78 0.00 0.00 34.13 28.37 2kpu s GLU 59 CO 0.01 -1.88 0.64 -1.25 -0.49 0.00 0.00 175.26 172.29 2kpu s PRO 60 N 5.76 4.26 0.00 0.39 0.05 -1.26 -4.69 135.00 139.51 2kpu s PRO 60 Ca 0.84 0.82 0.00 0.00 0.05 0.00 0.00 61.00 62.71 2kpu s PRO 60 Cb -0.25 -3.12 0.00 0.00 0.05 0.00 0.00 34.50 31.17 2kpu s PRO 60 CO 0.34 0.55 0.00 0.41 0.05 0.00 0.00 177.00 178.35 2kpu n GLY 61 N 1.35 -0.90 3.52 0.56 0.00 0.10 -4.86 105.19 104.97 2kpu n GLY 61 Ca -0.07 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 2kpu n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpu s GLU 62 N 0.00 3.26 0.02 1.61 2.02 -1.26 -0.57 118.70 123.79 2kpu s GLU 62 Ca 0.00 -0.62 0.08 0.00 0.02 0.00 0.00 54.97 54.45 2kpu s GLU 62 Cb 0.00 -4.43 -0.02 0.00 0.10 0.00 0.00 34.13 29.77 2kpu s GLU 62 CO 0.00 -2.06 -0.23 -1.58 0.02 0.00 0.00 175.26 171.41 2kpu s HIS 63 N 5.03 2.01 -0.24 1.61 2.46 -0.63 -4.92 115.29 120.62 2kpu s HIS 63 Ca 0.34 -0.39 -0.28 0.00 0.47 0.00 0.00 55.06 55.20 2kpu s HIS 63 Cb -0.09 -1.23 0.01 0.00 -0.13 0.00 0.00 32.58 31.14 2kpu s HIS 63 CO 0.08 0.06 0.99 -0.51 -2.47 0.00 0.00 174.74 172.89 2kpu s ASP 64 N -0.98 7.03 0.37 9.88 1.01 -1.26 -0.28 116.67 132.43 2kpu s ASP 64 Ca 0.09 1.28 0.08 0.00 0.71 0.00 0.00 52.55 54.71 2kpu s ASP 64 Cb -0.09 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2kpu s ASP 64 CO 0.01 -0.64 0.20 -0.31 0.21 0.00 0.00 175.17 174.65 2kpu s TYR 65 N 3.12 2.70 -0.23 4.23 2.02 0.10 -4.91 117.35 124.39 2kpu s TYR 65 Ca 0.42 -0.45 -0.06 0.00 -0.37 0.00 0.00 57.07 56.60 2kpu s TYR 65 Cb -0.15 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2kpu s TYR 65 CO 0.07 0.21 0.04 -2.00 -1.57 0.00 0.00 175.55 172.30 2kpu s GLU 66 N -3.92 3.67 -0.38 -0.62 2.12 -1.26 -1.56 118.70 116.75 2kpu s GLU 66 Ca 0.41 -0.48 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 2kpu s GLU 66 Cb -0.01 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.17 2kpu s GLU 66 CO 0.24 -0.07 1.12 0.08 -0.54 0.00 0.00 175.26 176.08 2kpu s VAL 67 N 1.27 4.37 0.09 3.70 1.01 0.12 -4.41 120.40 126.54 2kpu s VAL 67 Ca 0.04 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.54 2kpu s VAL 67 Cb -0.15 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2kpu s VAL 67 CO 0.03 -0.69 0.21 -0.54 0.00 0.00 0.00 175.10 174.11 2kpu s LYS 68 N 4.01 3.36 -0.01 2.72 1.02 0.82 -4.82 119.74 126.84 2kpu s LYS 68 Ca 0.47 -0.52 0.07 0.00 0.02 0.00 0.00 55.97 56.01 2kpu s LYS 68 Cb -0.10 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 2kpu s LYS 68 CO 0.22 0.58 -0.23 0.08 -0.92 0.00 0.00 175.35 175.08 2kpu s VAL 69 N -1.56 2.35 0.04 3.17 1.01 -1.26 0.13 120.40 124.27 2kpu s VAL 69 Ca 0.34 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2kpu s VAL 69 Cb -0.12 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 2kpu s VAL 69 CO 0.27 0.52 1.71 -1.61 0.00 0.00 0.00 175.10 175.99 2kpu s GLU 70 N -0.84 4.18 -0.26 2.72 2.02 -1.07 -4.87 118.70 120.58 2kpu s GLU 70 Ca 0.11 2.36 -0.35 0.00 0.02 0.00 0.00 54.97 57.11 2kpu s GLU 70 Cb -0.10 -3.77 -0.11 0.00 0.10 0.00 0.00 34.13 30.25 2kpu s GLU 70 CO 0.01 -0.80 2.07 -2.30 0.02 0.00 0.00 175.26 174.25 2kpu n PRO 71 N 6.23 1.46 -3.16 0.39 -0.02 -1.26 -4.92 135.00 133.71 2kpu n PRO 71 Ca 0.17 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 2kpu n PRO 71 Cb 0.41 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 2kpu n PRO 71 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kpu s ILE 72 N 6.20 5.01 0.51 4.25 1.01 -1.26 -5.06 121.20 131.86 2kpu s ILE 72 Ca 1.03 0.98 -0.20 0.00 0.00 0.00 0.00 60.65 62.46 2kpu s ILE 72 Cb -0.78 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 37.72 2kpu s ILE 72 CO 0.50 0.03 1.09 -2.84 0.00 0.00 0.00 174.94 173.72 2kpu s PRO 73 N 2.43 3.59 0.00 2.79 0.02 -1.26 -4.00 135.00 138.57 2kpu s PRO 73 Ca 0.24 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2kpu s PRO 73 Cb -0.15 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.28 2kpu s PRO 73 CO 0.09 -0.64 0.00 0.09 -0.33 0.00 0.00 177.00 176.21 2kpu n ASN 74 N -1.06 0.00 -4.74 2.53 3.02 -1.26 -4.88 115.26 108.87 2kpu n ASN 74 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 2kpu n ASN 74 Cb 0.51 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 2kpu n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kpu s ILE 75 N 0.00 4.71 -0.18 2.41 1.01 -1.26 -5.03 121.20 122.86 2kpu s ILE 75 Ca 0.00 1.71 -0.21 0.00 0.00 0.00 0.00 60.65 62.15 2kpu s ILE 75 Cb 0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2kpu s ILE 75 CO 0.00 0.35 0.64 -0.75 0.00 0.00 0.00 174.94 175.17 2kpu s LYS 76 N 0.02 4.24 -0.02 2.79 2.20 -1.05 -4.70 119.74 123.23 2kpu s LYS 76 Ca 0.40 0.65 -0.22 0.00 -0.36 0.00 0.00 55.97 56.45 2kpu s LYS 76 Cb -0.21 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 2kpu s LYS 76 CO 0.24 -0.20 0.63 -1.50 -0.36 0.00 0.00 175.35 174.17 2kpu s ILE 77 N 1.76 4.93 -0.01 5.43 2.07 -1.26 0.23 121.20 134.35 2kpu s ILE 77 Ca 0.30 1.32 -0.07 0.00 -1.41 0.00 0.00 60.65 60.79 2kpu s ILE 77 Cb -0.16 -3.97 -0.02 0.00 0.13 0.00 0.00 42.46 38.43 2kpu s ILE 77 CO 0.11 0.37 -0.14 0.52 -1.91 0.00 0.00 174.94 173.89 2kpu n VAL 78 N 3.03 1.33 -3.91 4.00 0.31 -0.48 -4.90 118.33 117.71 2kpu n VAL 78 Ca -0.05 0.30 -0.30 0.00 -0.01 0.00 0.00 64.34 64.28 2kpu n VAL 78 Cb 0.51 -1.88 -0.15 0.00 -0.91 0.00 0.00 33.84 31.41 2kpu n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2kpu s GLU 79 N -2.35 1.29 -0.26 5.55 2.02 -0.16 -4.97 118.70 119.82 2kpu s GLU 79 Ca -0.11 -1.38 -0.29 0.00 0.02 0.00 0.00 54.97 53.20 2kpu s GLU 79 Cb 0.02 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.60 2kpu s GLU 79 CO 0.17 -0.86 1.04 0.42 0.02 0.00 0.00 175.26 176.05 2kpu s ILE 80 N 1.26 4.63 -0.10 -1.63 1.01 -1.26 -1.12 121.20 123.98 2kpu s ILE 80 Ca 0.06 1.92 -0.03 0.00 0.00 0.00 0.00 60.65 62.59 2kpu s ILE 80 Cb -0.18 -4.34 0.05 0.00 0.01 0.00 0.00 42.46 38.00 2kpu s ILE 80 CO -0.13 -0.28 0.12 -0.44 0.00 0.00 0.00 174.94 174.21 2kpu s SER 81 N 1.36 1.34 0.78 3.58 0.01 -1.25 -4.23 113.70 115.28 2kpu s SER 81 Ca 0.44 -0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.61 2kpu s SER 81 Cb -0.14 0.02 0.13 0.00 0.21 0.00 0.00 66.02 66.24 2kpu s SER 81 CO 0.09 -0.28 0.84 -0.81 0.41 0.00 0.00 173.24 173.49 2kpu n PRO 82 N 5.30 -0.32 0.00 12.44 -0.04 -1.26 -0.49 135.00 150.63 2kpu n PRO 82 Ca -0.05 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 2kpu n PRO 82 Cb 0.50 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 2kpu n PRO 82 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kpu n ARG 83 N -2.65 1.40 -3.89 0.54 1.74 -1.26 -4.78 116.66 107.77 2kpu n ARG 83 Ca 0.12 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.85 2kpu n ARG 83 Cb 0.44 -0.93 -0.14 0.00 -1.02 0.00 0.00 32.46 30.80 2kpu n ARG 83 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2kpu s VAL 84 N -1.86 3.35 -0.04 1.55 1.01 -1.26 0.11 120.40 123.25 2kpu s VAL 84 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2kpu s VAL 84 Cb 0.00 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2kpu s VAL 84 CO 0.00 0.30 -0.14 0.68 0.00 0.00 0.00 175.10 175.94 2kpu s VAL 85 N 1.44 1.18 -0.75 2.92 -7.23 -0.60 -4.96 120.40 112.40 2kpu s VAL 85 Ca 0.04 -0.58 -0.27 0.00 -1.81 0.00 0.00 61.98 59.36 2kpu s VAL 85 Cb -0.15 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.79 2kpu s VAL 85 CO -0.03 0.35 1.28 -0.89 -0.31 0.00 0.00 175.10 175.51 2kpu s THR 86 N 0.11 3.74 -0.26 5.32 2.01 -1.26 0.03 115.64 125.32 2kpu s THR 86 Ca -0.04 0.35 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 2kpu s THR 86 Cb -0.10 -4.92 -0.04 0.00 0.01 0.00 0.00 72.50 67.44 2kpu s THR 86 CO 0.02 -1.86 0.35 -0.76 -0.69 0.00 0.00 174.62 171.68 2kpu s LEU 87 N 5.69 4.06 -0.74 4.42 1.43 0.61 -4.84 118.68 129.30 2kpu s LEU 87 Ca 0.35 0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 53.52 2kpu s LEU 87 Cb -0.08 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 43.81 2kpu s LEU 87 CO 0.14 -0.15 1.06 -1.58 0.23 0.00 0.00 176.35 176.05 2kpu s GLN 88 N 1.90 3.23 -0.48 1.70 0.74 -1.26 -1.60 119.66 123.88 2kpu s GLN 88 Ca 0.15 -0.93 -0.27 0.00 0.05 0.00 0.00 55.36 54.35 2kpu s GLN 88 Cb -0.16 -4.41 0.03 0.00 1.10 0.00 0.00 33.01 29.57 2kpu s GLN 88 CO 0.09 -1.88 1.06 -0.51 -0.55 0.00 0.00 175.29 173.51 2kpu s LEU 89 N 4.12 3.77 0.51 3.68 1.43 0.27 -2.36 118.68 130.09 2kpu s LEU 89 Ca 0.27 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.74 2kpu s LEU 89 Cb -0.13 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 42.78 2kpu s LEU 89 CO 0.06 -1.20 0.66 -1.61 0.23 0.00 0.00 176.35 174.49 2kpu s GLU 90 N 4.23 2.48 -0.43 1.70 0.41 0.17 0.00 118.70 127.27 2kpu s GLU 90 Ca 0.43 -1.54 -0.21 0.00 -0.41 0.00 0.00 54.97 53.24 2kpu s GLU 90 Cb -0.08 -2.62 0.02 0.00 -1.78 0.00 0.00 34.13 29.67 2kpu s GLU 90 CO 0.29 -0.61 0.65 -1.01 -0.49 0.00 0.00 175.26 174.09 2kpu s HIS 91 N -2.56 3.07 -0.51 1.61 3.76 -1.26 -0.85 115.29 118.54 2kpu s HIS 91 Ca 0.56 -0.01 0.26 0.00 -0.15 0.00 0.00 55.06 55.72 2kpu s HIS 91 Cb -0.07 -3.35 0.91 0.00 1.11 0.00 0.00 32.58 31.19 2kpu s HIS 91 CO 0.35 -0.86 1.76 1.25 -0.85 0.00 0.00 174.74 176.39 2kpu h HIS 92 N 8.85 0.00 -3.42 1.40 2.76 -0.99 -3.23 115.15 120.52 2kpu h HIS 92 Ca -0.25 0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.21 2kpu h HIS 92 Cb 1.10 0.00 -0.32 0.00 1.55 0.00 0.00 27.41 29.74 2kpu h HIS 92 CO 0.73 0.00 -0.49 -1.01 -1.30 0.00 0.00 177.93 175.87 2kpu s HIS 93 N -3.27 3.50 -0.15 5.26 3.76 -1.26 -4.81 115.29 118.32 2kpu s HIS 93 Ca 0.06 -2.13 -0.01 0.00 -0.15 0.00 0.00 55.06 52.84 2kpu s HIS 93 Cb 0.10 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.51 2kpu s HIS 93 CO 0.50 -0.97 0.03 0.72 -0.85 0.00 0.00 174.74 174.17 2kpu n HIS 94 N 4.74 -1.87 0.78 1.40 -0.00 -1.26 -4.92 115.22 114.09 2kpu n HIS 94 Ca -0.05 0.82 0.13 0.00 -0.00 0.00 0.00 57.72 58.62 2kpu n HIS 94 Cb 0.41 -2.70 0.50 0.00 -0.00 0.00 0.00 29.99 28.21 2kpu n HIS 94 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kpu n HIS 95 N 0.26 0.46 -0.81 4.41 -0.00 -1.22 -4.66 115.22 113.66 2kpu n HIS 95 Ca 0.01 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.32 2kpu n HIS 95 Cb 0.02 -0.72 0.00 0.00 -0.12 0.00 0.00 29.99 29.17 2kpu n HIS 95 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52