#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 6.84 0.10 6.43 0.01 -1.26 -5.00 113.70 120.82 2kpu s SER 2 Ca 0.00 -2.48 -0.31 0.00 1.31 0.00 0.00 55.95 54.47 2kpu s SER 2 Cb 0.00 -2.41 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 2kpu s SER 2 CO 0.00 -0.94 1.25 -1.58 0.41 0.00 0.00 173.24 172.39 2kpu s GLN 3 N 2.33 4.41 0.02 12.44 0.74 -1.26 -4.94 119.66 133.40 2kpu s GLN 3 Ca 0.39 1.88 -0.20 0.00 0.05 0.00 0.00 55.36 57.48 2kpu s GLN 3 Cb -0.03 -3.30 -0.18 0.00 1.10 0.00 0.00 33.01 30.60 2kpu s GLN 3 CO -0.04 -0.28 1.23 1.15 -0.55 0.00 0.00 175.29 176.79 2kpu h THR 4 N 4.31 1.40 -1.83 -0.34 2.02 -2.01 -3.36 112.91 113.09 2kpu h THR 4 Ca -0.42 -1.68 -0.66 0.00 0.77 0.00 0.00 66.41 64.41 2kpu h THR 4 Cb 1.21 2.20 -0.14 0.00 -1.74 0.00 0.00 68.15 69.68 2kpu h THR 4 CO 0.82 0.49 1.19 -0.22 0.37 0.00 0.00 175.52 178.17 2kpu s LEU 5 N -8.74 4.43 -0.02 2.58 2.96 -1.26 -4.81 118.68 113.82 2kpu s LEU 5 Ca -0.14 -1.93 0.04 0.00 -0.22 0.00 0.00 54.13 51.89 2kpu s LEU 5 Cb 0.05 -2.47 0.16 0.00 0.50 0.00 0.00 46.19 44.42 2kpu s LEU 5 CO 0.79 -1.20 1.01 -0.90 -1.32 0.00 0.00 176.35 174.72 2kpu n ASP 6 N 7.42 1.26 0.08 3.68 5.75 -1.26 -3.58 116.55 129.91 2kpu n ASP 6 Ca 0.30 -2.07 -0.12 0.00 -0.01 0.00 0.00 54.79 52.89 2kpu n ASP 6 Cb 0.49 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 2kpu n ASP 6 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2kpu h ARG 7 N 0.95 0.27 -2.79 0.11 2.43 -1.90 -3.40 114.38 110.05 2kpu h ARG 7 Ca 0.00 -0.34 -0.60 0.00 -0.81 0.00 0.00 59.98 58.23 2kpu h ARG 7 Cb 0.42 0.11 -0.40 0.00 -0.42 0.00 0.00 29.97 29.68 2kpu h ARG 7 CO 0.04 1.08 -0.79 0.16 -1.51 0.00 0.00 179.97 178.94 2kpu s ASP 8 N -7.03 3.29 0.30 -3.80 -4.77 -1.24 -1.45 116.67 101.98 2kpu s ASP 8 Ca -0.04 -2.46 -0.29 0.00 -3.30 0.00 0.00 52.55 46.47 2kpu s ASP 8 Cb 0.09 -0.74 -0.09 0.00 -1.09 0.00 0.00 42.92 41.08 2kpu s ASP 8 CO 0.85 -0.28 1.07 -2.84 0.70 0.00 0.00 175.17 174.67 2kpu s PRO 9 N 0.64 4.59 -0.45 2.11 0.02 -1.24 -4.73 135.00 135.94 2kpu s PRO 9 Ca 0.18 1.71 -0.24 0.00 0.02 0.00 0.00 61.00 62.67 2kpu s PRO 9 Cb -0.23 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.23 2kpu s PRO 9 CO -0.00 0.19 0.81 0.99 -0.33 0.00 0.00 177.00 178.66 2kpu s THR 10 N -1.26 4.62 0.00 0.99 2.01 -1.26 -0.80 115.64 119.94 2kpu s THR 10 Ca 0.46 0.52 0.02 0.00 0.31 0.00 0.00 61.69 63.00 2kpu s THR 10 Cb -0.29 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2kpu s THR 10 CO 0.37 -0.72 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.34 2kpu s LEU 11 N 3.36 3.40 -0.17 4.42 2.96 0.05 -4.95 118.68 127.75 2kpu s LEU 11 Ca 0.31 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 2kpu s LEU 11 Cb -0.12 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2kpu s LEU 11 CO 0.23 0.28 -0.15 0.28 -1.32 0.00 0.00 176.35 175.67 2kpu s THR 12 N -1.06 2.61 0.36 3.68 -1.32 -1.26 0.18 115.64 118.83 2kpu s THR 12 Ca 0.19 -0.78 0.08 0.00 -1.21 0.00 0.00 61.69 59.97 2kpu s THR 12 Cb -0.11 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 2kpu s THR 12 CO 0.09 0.51 0.23 -0.76 -2.21 0.00 0.00 174.62 172.48 2kpu s LEU 13 N 1.01 3.37 -0.12 9.08 1.43 -0.13 -4.87 118.68 128.45 2kpu s LEU 13 Ca -0.02 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 2kpu s LEU 13 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2kpu s LEU 13 CO -0.03 -0.39 0.74 -0.55 0.23 0.00 0.00 176.35 176.35 2kpu s SER 14 N -3.94 6.94 -0.62 2.29 0.15 -1.26 0.27 113.70 117.52 2kpu s SER 14 Ca 0.41 1.14 -0.27 0.00 0.70 0.00 0.00 55.95 57.92 2kpu s SER 14 Cb -0.03 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.89 2kpu s SER 14 CO 0.25 -0.25 1.19 -0.22 1.20 0.00 0.00 173.24 175.41 2kpu s LEU 15 N 1.47 3.46 0.04 3.45 2.96 -0.95 -2.44 118.68 126.66 2kpu s LEU 15 Ca 0.37 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2kpu s LEU 15 Cb -0.17 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2kpu s LEU 15 CO 0.15 -1.56 0.03 0.27 -1.32 0.00 0.00 176.35 173.92 2kpu s ILE 16 N 5.05 4.28 -0.56 6.68 -4.36 0.84 -4.58 121.20 128.56 2kpu s ILE 16 Ca 0.39 -0.72 -0.24 0.00 -0.26 0.00 0.00 60.65 59.83 2kpu s ILE 16 Cb -0.08 -2.99 0.05 0.00 1.25 0.00 0.00 42.46 40.68 2kpu s ILE 16 CO 0.22 0.25 0.93 0.00 0.24 0.00 0.00 174.94 176.57 2kpu s ALA 17 N -1.23 3.16 0.00 2.27 0.00 -1.26 -0.93 121.76 123.77 2kpu s ALA 17 Ca 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2kpu s ALA 17 Cb -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2kpu s ALA 17 CO 0.16 -2.42 0.00 1.17 0.00 0.00 0.00 175.76 174.67 2kpu n LYS 18 N 7.44 0.00 -1.56 0.00 4.81 -0.95 -4.54 118.16 123.36 2kpu n LYS 18 Ca 0.01 0.05 -0.40 0.00 -0.87 0.00 0.00 58.31 57.09 2kpu n LYS 18 Cb 0.47 -0.35 -0.01 0.00 0.02 0.00 0.00 35.03 35.16 2kpu n LYS 18 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kpu n ASN 19 N -1.29 6.44 -4.24 3.14 5.15 -1.22 -4.85 115.26 118.39 2kpu n ASN 19 Ca 0.00 -2.73 -0.36 0.00 -0.60 0.00 0.00 54.58 50.89 2kpu n ASN 19 Cb 0.00 -1.59 -0.13 0.00 -0.53 0.00 0.00 39.78 37.52 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 2.44 3.40 1.09 -0.44 2.01 -1.26 -0.82 115.64 122.06 2kpu s THR 20 Ca 0.58 -1.14 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 2kpu s THR 20 Cb 0.16 -2.88 0.27 0.00 0.01 0.00 0.00 72.50 70.06 2kpu s THR 20 CO -0.07 -0.06 1.03 -2.65 -0.69 0.00 0.00 174.62 172.18 2kpu n PRO 21 N 4.73 -2.71 -1.74 4.92 -0.02 -1.26 -5.04 135.00 133.88 2kpu n PRO 21 Ca -0.14 -1.63 -0.31 0.00 -2.02 0.00 0.00 63.50 59.40 2kpu n PRO 21 Cb 0.45 -1.46 0.03 0.00 -0.02 0.00 0.00 33.50 32.51 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 -3.15 2.86 0.00 3.55 0.00 -1.26 -4.04 121.76 119.72 2kpu s ALA 22 Ca 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2kpu s ALA 22 Cb -0.06 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2kpu s ALA 22 CO 0.49 -1.01 0.00 -1.71 0.00 0.00 0.00 175.76 173.53 2kpu n ASN 23 N -2.97 0.00 -4.56 0.00 5.15 -1.26 -4.88 115.26 106.74 2kpu n ASN 23 Ca 0.07 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.65 2kpu n ASN 23 Cb 0.54 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.76 2kpu n ASN 23 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2kpu s SER 24 N 0.00 6.20 -0.16 1.20 1.04 -1.26 -2.52 113.70 118.20 2kpu s SER 24 Ca 0.00 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 55.47 2kpu s SER 24 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2kpu s SER 24 CO 0.00 -1.78 0.08 -0.32 0.98 0.00 0.00 173.24 172.20 2kpu s MET 25 N 5.54 3.79 -0.45 4.02 0.00 -0.86 -4.82 119.30 126.52 2kpu s MET 25 Ca 0.44 -0.30 -0.25 0.00 0.00 0.00 0.00 55.69 55.59 2kpu s MET 25 Cb -0.04 -3.19 0.03 0.00 0.00 0.00 0.00 34.83 31.63 2kpu s MET 25 CO 0.02 0.42 0.89 0.42 0.00 0.00 0.00 175.02 176.77 2kpu s ILE 26 N -0.04 4.53 0.27 10.11 1.01 -1.26 0.45 121.20 136.27 2kpu s ILE 26 Ca 0.07 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.48 2kpu s ILE 26 Cb -0.12 -4.39 -0.00 0.00 0.01 0.00 0.00 42.46 37.96 2kpu s ILE 26 CO 0.01 -0.78 1.63 -0.03 0.00 0.00 0.00 174.94 175.77 2kpu h MET 27 N 9.00 0.23 -6.52 2.79 1.85 -0.95 -3.39 114.93 117.94 2kpu h MET 27 Ca -0.24 -0.13 -0.55 0.00 -0.61 0.00 0.00 59.70 58.16 2kpu h MET 27 Cb 1.08 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.05 2kpu h MET 27 CO 1.01 0.68 1.03 0.99 -0.40 0.00 0.00 176.91 180.22 2kpu s THR 28 N -3.95 3.93 0.16 -0.77 2.01 -1.25 -4.97 115.64 110.80 2kpu s THR 28 Ca -0.04 0.85 -0.32 0.00 0.31 0.00 0.00 61.69 62.50 2kpu s THR 28 Cb 0.13 -4.54 -0.10 0.00 0.01 0.00 0.00 72.50 67.99 2kpu s THR 28 CO 0.78 -1.17 1.60 -0.54 -0.69 0.00 0.00 174.62 174.60 2kpu s LYS 29 N 5.11 4.20 -0.01 4.92 1.02 -1.26 -4.87 119.74 128.86 2kpu s LYS 29 Ca 0.49 2.40 -0.33 0.00 0.02 0.00 0.00 55.97 58.55 2kpu s LYS 29 Cb -0.09 -3.18 -0.12 0.00 -0.52 0.00 0.00 37.83 33.92 2kpu s LYS 29 CO 0.27 -0.64 1.82 1.28 -0.92 0.00 0.00 175.35 177.15 2kpu n LEU 30 N 4.12 3.48 -5.00 3.17 4.77 -1.26 -4.99 117.00 121.29 2kpu n LEU 30 Ca 0.14 0.99 -0.21 0.00 -0.03 0.00 0.00 56.01 56.90 2kpu n LEU 30 Cb 0.38 -1.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.13 2kpu n LEU 30 CO 0.62 -0.06 0.43 -2.16 -1.33 0.00 0.00 177.39 174.88 2kpu s PRO 31 N 3.30 2.09 0.12 3.23 0.04 -1.26 -4.89 135.00 137.62 2kpu s PRO 31 Ca 0.88 -1.24 -0.22 0.00 0.04 0.00 0.00 61.00 60.47 2kpu s PRO 31 Cb -0.65 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.33 2kpu s PRO 31 CO 0.47 -1.06 0.66 -1.12 0.04 0.00 0.00 177.00 175.98 2kpu s SER 32 N -4.64 7.21 0.03 6.66 0.01 -1.26 -2.25 113.70 119.46 2kpu s SER 32 Ca 0.63 1.43 -0.00 0.00 1.31 0.00 0.00 55.95 59.31 2kpu s SER 32 Cb -0.07 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2kpu s SER 32 CO 0.41 0.24 0.15 0.54 0.41 0.00 0.00 173.24 175.00 2kpu s VAL 33 N -1.13 5.12 -0.26 3.43 0.11 0.14 -4.90 120.40 122.91 2kpu s VAL 33 Ca 0.32 -0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 2kpu s VAL 33 Cb -0.21 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 2kpu s VAL 33 CO 0.22 0.23 0.13 -0.13 -3.33 0.00 0.00 175.10 172.21 2kpu s ARG 34 N -2.19 3.81 -0.12 1.54 0.52 -0.58 -0.95 118.95 120.98 2kpu s ARG 34 Ca 0.30 -0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 2kpu s ARG 34 Cb -0.13 -3.48 0.04 0.00 0.52 0.00 0.00 34.95 31.91 2kpu s ARG 34 CO 0.22 -0.16 -0.00 0.14 0.02 0.00 0.00 175.30 175.51 2kpu s VAL 35 N 1.63 0.58 -0.09 3.52 -7.23 0.13 -0.26 120.40 118.67 2kpu s VAL 35 Ca 0.07 -0.20 -0.22 0.00 -1.81 0.00 0.00 61.98 59.81 2kpu s VAL 35 Cb -0.15 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2kpu s VAL 35 CO 0.07 0.13 0.66 -0.75 -0.31 0.00 0.00 175.10 174.90 2kpu s LYS 36 N 1.87 4.39 0.47 4.82 2.20 -1.00 -0.77 119.74 131.72 2kpu s LYS 36 Ca 0.03 0.79 0.06 0.00 -0.36 0.00 0.00 55.97 56.49 2kpu s LYS 36 Cb -0.14 -3.46 0.06 0.00 -1.51 0.00 0.00 37.83 32.78 2kpu s LYS 36 CO -0.07 0.03 0.50 0.25 -0.36 0.00 0.00 175.35 175.71 2kpu n THR 37 N 3.89 0.00 -3.28 3.43 -2.24 0.02 -0.02 114.28 116.07 2kpu n THR 37 Ca -0.02 -1.71 -0.04 0.00 -2.27 0.00 0.00 64.05 60.01 2kpu n THR 37 Cb 0.51 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 2kpu n THR 37 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kpu s GLU 38 N -4.03 0.43 0.00 -0.78 2.12 0.28 -3.68 118.70 113.06 2kpu s GLU 38 Ca 0.38 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.44 2kpu s GLU 38 Cb -0.03 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.30 2kpu s GLU 38 CO 0.24 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 2kpu n GLY 39 N 5.39 3.53 3.57 -1.50 0.00 -0.53 -1.21 105.19 114.45 2kpu n GLY 39 Ca -0.03 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.00 3.08 -0.46 1.61 1.51 -1.26 -4.67 117.35 115.16 2kpu s TYR 40 Ca 0.00 0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.52 2kpu s TYR 40 Cb 0.00 -3.46 0.16 0.00 -0.11 0.00 0.00 41.96 38.56 2kpu s TYR 40 CO 0.00 -0.80 0.34 0.54 -1.11 0.00 0.00 175.55 174.53 2kpu s ASN 41 N 1.93 2.39 0.00 2.29 2.20 -1.26 -4.90 114.94 117.58 2kpu s ASN 41 Ca 0.30 -3.07 0.26 0.00 -0.94 0.00 0.00 52.86 49.40 2kpu s ASN 41 Cb -0.13 -0.70 0.62 0.00 -2.00 0.00 0.00 41.25 39.05 2kpu s ASN 41 CO 0.18 -0.18 1.48 -0.81 -2.94 0.00 0.00 177.10 174.84 2kpu n PRO 42 N 2.88 0.67 -0.12 3.55 -0.05 -1.26 -4.40 135.00 136.26 2kpu n PRO 42 Ca 0.24 -0.41 -0.24 0.00 -0.05 0.00 0.00 63.50 63.04 2kpu n PRO 42 Cb 0.43 -1.49 -0.09 0.00 -0.05 0.00 0.00 33.50 32.30 2kpu n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2kpu n SER 43 N -0.81 1.93 -4.70 3.54 3.41 -1.26 -4.95 113.62 110.79 2kpu n SER 43 Ca 0.10 0.37 -0.42 0.00 -0.26 0.00 0.00 58.87 58.66 2kpu n SER 43 Cb 0.35 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 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 -2.54 2.40 -0.08 -1.33 1.01 -1.26 -4.95 121.20 114.45 2kpu s ILE 44 Ca -0.34 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 2kpu s ILE 44 Cb 0.11 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2kpu s ILE 44 CO 0.48 0.00 0.72 0.21 0.00 0.00 0.00 174.94 176.36 2kpu s ASN 45 N 2.37 6.98 0.18 3.58 3.84 -1.26 -4.94 114.94 125.68 2kpu s ASN 45 Ca 0.80 1.18 0.19 0.00 0.21 0.00 0.00 52.86 55.24 2kpu s ASN 45 Cb -0.47 -2.42 0.83 0.00 -0.55 0.00 0.00 41.25 38.64 2kpu s ASN 45 CO 0.35 -0.17 1.58 1.33 -2.79 0.00 0.00 177.10 177.41 2kpu n VAL 46 N 3.96 1.00 1.01 -5.21 0.24 -1.26 -1.17 118.33 116.90 2kpu n VAL 46 Ca -0.00 0.33 0.11 0.00 -2.04 0.00 0.00 64.34 62.74 2kpu n VAL 46 Cb 0.51 -1.23 -0.00 0.00 -1.47 0.00 0.00 33.84 31.64 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 -1.99 0.93 0.05 -1.34 3.02 -1.26 -3.79 115.26 110.89 2kpu n ASN 47 Ca 0.02 -0.83 0.01 0.00 -0.03 0.00 0.00 54.58 53.75 2kpu n ASN 47 Cb 0.17 0.74 -0.06 0.00 -0.61 0.00 0.00 39.78 40.02 2kpu n ASN 47 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2kpu h GLU 48 N 0.19 0.00 -6.39 3.52 5.08 -1.55 -3.45 114.58 111.98 2kpu h GLU 48 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2kpu h GLU 48 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2kpu h GLU 48 CO 0.00 0.29 0.51 -0.51 -1.00 0.00 0.00 179.01 178.29 2kpu s LEU 49 N -5.83 4.34 0.13 1.33 1.43 -0.98 -5.04 118.68 114.06 2kpu s LEU 49 Ca -0.02 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.90 2kpu s LEU 49 Cb 0.09 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2kpu s LEU 49 CO 0.80 -0.40 -0.12 -0.36 0.23 0.00 0.00 176.35 176.50 2kpu s PHE 50 N 1.38 1.30 -0.21 0.29 0.08 -1.26 -4.70 117.98 114.85 2kpu s PHE 50 Ca 0.54 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.94 2kpu s PHE 50 Cb -0.24 -0.67 0.04 0.00 -0.57 0.00 0.00 43.02 41.59 2kpu s PHE 50 CO 0.26 0.11 -0.11 0.00 -0.10 0.00 0.00 175.22 175.37 2kpu s ALA 51 N -2.80 2.15 0.27 5.36 0.00 -1.02 -0.54 121.76 125.19 2kpu s ALA 51 Ca 0.13 -1.33 0.11 0.00 0.00 0.00 0.00 51.96 50.87 2kpu s ALA 51 Cb -0.01 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2kpu s ALA 51 CO 0.02 -0.87 -0.16 1.52 0.00 0.00 0.00 175.76 176.27 2kpu s TYR 52 N 1.32 2.38 -0.06 0.00 -0.85 0.17 -0.11 117.35 120.19 2kpu s TYR 52 Ca -0.02 -0.31 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 2kpu s TYR 52 Cb -0.17 -1.04 -0.03 0.00 0.38 0.00 0.00 41.96 41.10 2kpu s TYR 52 CO -0.08 0.68 -0.11 0.14 -1.52 0.00 0.00 175.55 174.67 2kpu s VAL 53 N -2.41 3.36 -0.42 -3.49 -7.23 -0.11 -0.12 120.40 109.98 2kpu s VAL 53 Ca 0.30 -0.61 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 2kpu s VAL 53 Cb -0.06 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.60 2kpu s VAL 53 CO 0.16 0.59 0.29 -0.62 -0.31 0.00 0.00 175.10 175.21 2kpu s ASP 54 N -0.71 5.85 -0.69 4.85 -1.08 -1.26 -2.25 116.67 121.38 2kpu s ASP 54 Ca 0.11 -1.28 -0.02 0.00 -0.52 0.00 0.00 52.55 50.84 2kpu s ASP 54 Cb -0.11 -2.07 0.37 0.00 -1.46 0.00 0.00 42.92 39.65 2kpu s ASP 54 CO 0.01 -0.52 2.08 0.18 0.52 0.00 0.00 175.17 177.44 2kpu n LEU 55 N 5.04 7.47 -0.23 -1.34 4.77 0.00 -4.54 117.00 128.17 2kpu n LEU 55 Ca -0.11 -4.38 -0.01 0.00 -0.03 0.00 0.00 56.01 51.47 2kpu n LEU 55 Cb 0.44 -1.04 0.10 0.00 -2.33 0.00 0.00 43.42 40.60 2kpu n LEU 55 CO 0.41 1.57 1.09 -1.28 -1.33 0.00 0.00 177.39 177.85 2kpu h SER 56 N 2.37 0.54 -0.73 -1.43 0.87 -1.93 -2.81 113.55 110.43 2kpu h SER 56 Ca 0.55 0.03 -0.73 0.00 -1.23 0.00 0.00 61.79 60.41 2kpu h SER 56 Cb 0.54 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.32 2kpu h SER 56 CO 1.42 0.35 2.56 0.61 -0.53 0.00 0.00 176.83 181.24 2kpu n GLY 57 N -1.29 4.61 3.56 5.77 0.00 -1.26 -4.93 105.19 111.66 2kpu n GLY 57 Ca 0.09 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 2kpu n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kpu s SER 58 N 1.94 5.13 -0.15 1.61 1.04 -1.06 -4.93 113.70 117.29 2kpu s SER 58 Ca 0.43 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.37 2kpu s SER 58 Cb 0.12 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2kpu s SER 58 CO -0.04 -2.71 -0.18 -0.70 0.98 0.00 0.00 173.24 170.59 2kpu s GLU 59 N 7.06 3.14 0.64 4.02 2.12 -1.26 -5.07 118.70 129.34 2kpu s GLU 59 Ca 0.70 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 55.06 2kpu s GLU 59 Cb -0.08 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 2kpu s GLU 59 CO 0.03 0.01 1.24 -2.14 -0.54 0.00 0.00 175.26 173.86 2kpu s PRO 60 N 0.79 2.65 0.00 4.30 0.02 -1.26 -4.58 135.00 136.92 2kpu s PRO 60 Ca -0.06 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.85 2kpu s PRO 60 Cb -0.15 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.49 2kpu s PRO 60 CO -0.00 -1.48 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 2kpu n GLY 61 N 0.62 -3.37 3.52 0.52 0.00 0.85 -4.85 105.19 102.49 2kpu n GLY 61 Ca 0.14 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.73 3.35 0.09 1.61 2.02 -1.26 -0.60 118.70 123.20 2kpu s GLU 62 Ca 0.00 -0.24 0.08 0.00 0.02 0.00 0.00 54.97 54.84 2kpu s GLU 62 Cb 0.00 -4.01 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 2kpu s GLU 62 CO 0.00 -1.32 -0.22 -1.01 0.02 0.00 0.00 175.26 172.73 2kpu s HIS 63 N 3.59 1.88 -0.48 1.61 3.76 -0.05 -4.85 115.29 120.74 2kpu s HIS 63 Ca 0.29 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 2kpu s HIS 63 Cb -0.13 -1.05 0.03 0.00 1.11 0.00 0.00 32.58 32.54 2kpu s HIS 63 CO 0.20 0.20 1.07 -0.51 -0.85 0.00 0.00 174.74 174.85 2kpu s ASP 64 N -1.76 6.57 0.04 1.40 1.01 -1.26 -0.22 116.67 122.45 2kpu s ASP 64 Ca 0.08 0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.68 2kpu s ASP 64 Cb -0.10 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2kpu s ASP 64 CO 0.04 -1.20 -0.08 -0.31 0.21 0.00 0.00 175.17 173.83 2kpu s TYR 65 N 4.25 2.83 0.09 4.23 2.02 0.11 -4.89 117.35 125.99 2kpu s TYR 65 Ca 0.44 -0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.75 2kpu s TYR 65 Cb -0.08 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2kpu s TYR 65 CO 0.29 0.39 0.94 -1.21 -1.57 0.00 0.00 175.55 174.40 2kpu s GLU 66 N -1.74 4.66 -0.42 -0.62 2.02 -1.26 -0.14 118.70 121.20 2kpu s GLU 66 Ca 0.19 1.41 -0.28 0.00 0.02 0.00 0.00 54.97 56.31 2kpu s GLU 66 Cb -0.11 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.76 2kpu s GLU 66 CO 0.10 0.19 1.04 0.08 0.02 0.00 0.00 175.26 176.70 2kpu s VAL 67 N 0.11 4.40 -0.37 2.63 1.01 0.20 -4.46 120.40 123.92 2kpu s VAL 67 Ca 0.47 1.25 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 2kpu s VAL 67 Cb -0.23 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.69 2kpu s VAL 67 CO 0.29 -0.77 0.22 -0.75 0.00 0.00 0.00 175.10 174.09 2kpu s LYS 68 N 3.95 3.01 0.07 2.72 2.36 0.83 -4.91 119.74 127.78 2kpu s LYS 68 Ca 0.43 -0.97 -0.13 0.00 -2.55 0.00 0.00 55.97 52.76 2kpu s LYS 68 Cb -0.10 -3.76 -0.06 0.00 -1.05 0.00 0.00 37.83 32.86 2kpu s LYS 68 CO 0.24 -0.64 0.46 0.08 1.55 0.00 0.00 175.35 177.05 2kpu s VAL 69 N 1.61 4.98 0.35 4.02 1.01 -1.26 0.44 120.40 131.54 2kpu s VAL 69 Ca 0.03 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 2kpu s VAL 69 Cb -0.19 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 2kpu s VAL 69 CO 0.08 0.38 1.44 -0.62 0.00 0.00 0.00 175.10 176.38 2kpu n GLU 70 N 1.21 2.49 -2.02 2.72 -0.58 0.30 -4.94 120.64 119.83 2kpu n GLU 70 Ca -0.09 0.87 -0.41 0.00 -0.42 0.00 0.00 57.16 57.11 2kpu n GLU 70 Cb 0.52 -2.56 -0.02 0.00 -0.57 0.00 0.00 31.44 28.81 2kpu n GLU 70 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kpu s PRO 71 N -1.77 4.27 -0.28 3.49 0.04 -1.26 -4.89 135.00 134.60 2kpu s PRO 71 Ca 0.56 2.31 -0.00 0.00 0.04 0.00 0.00 61.00 63.90 2kpu s PRO 71 Cb -0.51 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 30.99 2kpu s PRO 71 CO 0.61 -0.38 -0.04 0.42 0.04 0.00 0.00 177.00 177.65 2kpu s ILE 72 N -0.31 2.75 0.29 0.56 1.01 -1.26 -5.10 121.20 119.14 2kpu s ILE 72 Ca 0.57 -1.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 2kpu s ILE 72 Cb -0.42 -2.57 -0.10 0.00 0.01 0.00 0.00 42.46 39.38 2kpu s ILE 72 CO 0.47 -0.06 1.39 -2.84 0.00 0.00 0.00 174.94 173.90 2kpu s PRO 73 N 1.22 4.29 0.00 2.79 0.02 -1.26 -3.64 135.00 138.41 2kpu s PRO 73 Ca -0.06 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2kpu s PRO 73 Cb -0.20 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.24 2kpu s PRO 73 CO -0.02 -0.34 0.00 0.09 -0.33 0.00 0.00 177.00 176.39 2kpu n ASN 74 N 1.59 0.00 -4.71 2.53 3.02 -1.26 -4.90 115.26 111.54 2kpu n ASN 74 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 2kpu n ASN 74 Cb 0.41 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 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 4.98 0.24 2.41 -1.09 -1.24 -4.92 121.20 121.57 2kpu s ILE 75 Ca 0.00 1.65 -0.27 0.00 -2.23 0.00 0.00 60.65 59.81 2kpu s ILE 75 Cb 0.00 -4.14 -0.09 0.00 -1.58 0.00 0.00 42.46 36.66 2kpu s ILE 75 CO 0.00 0.20 0.87 -0.54 -1.23 0.00 0.00 174.94 174.24 2kpu s LYS 76 N 1.00 4.65 -0.38 2.79 1.02 -0.35 -4.67 119.74 123.79 2kpu s LYS 76 Ca 0.42 1.29 -0.15 0.00 0.02 0.00 0.00 55.97 57.55 2kpu s LYS 76 Cb -0.19 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2kpu s LYS 76 CO 0.21 0.47 0.33 -1.50 -0.92 0.00 0.00 175.35 173.93 2kpu s ILE 77 N -1.31 5.21 -0.17 2.17 2.07 -1.26 -0.55 121.20 127.36 2kpu s ILE 77 Ca 0.42 -0.34 -0.18 0.00 -1.41 0.00 0.00 60.65 59.14 2kpu s ILE 77 Cb -0.22 -3.88 -0.15 0.00 0.13 0.00 0.00 42.46 38.33 2kpu s ILE 77 CO 0.27 -0.22 0.24 0.58 -1.91 0.00 0.00 174.94 173.91 2kpu h VAL 78 N 5.60 0.83 -3.97 4.00 2.07 -0.73 -3.48 116.25 120.57 2kpu h VAL 78 Ca -0.28 -1.84 -0.34 0.00 0.82 0.00 0.00 66.70 65.06 2kpu h VAL 78 Cb 1.13 1.78 -0.23 0.00 -1.52 0.00 0.00 31.29 32.46 2kpu h VAL 78 CO 0.71 0.28 -0.76 -1.61 0.02 0.00 0.00 177.57 176.22 2kpu s GLU 79 N -2.21 0.65 -0.21 1.57 2.02 -1.02 -4.96 118.70 114.54 2kpu s GLU 79 Ca -0.20 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.08 2kpu s GLU 79 Cb 0.02 -0.53 0.05 0.00 0.10 0.00 0.00 34.13 33.77 2kpu s GLU 79 CO 0.47 0.12 -0.04 0.42 0.02 0.00 0.00 175.26 176.24 2kpu s ILE 80 N -1.07 1.27 -0.24 -1.63 1.01 -1.26 -2.38 121.20 116.91 2kpu s ILE 80 Ca -0.05 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 2kpu s ILE 80 Cb -0.08 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.91 2kpu s ILE 80 CO 0.01 -0.03 -0.01 -0.44 0.00 0.00 0.00 174.94 174.47 2kpu s SER 81 N 1.53 3.63 0.57 3.58 0.01 0.64 -3.10 113.70 120.56 2kpu s SER 81 Ca -0.03 -1.17 -0.03 0.00 1.31 0.00 0.00 55.95 56.04 2kpu s SER 81 Cb -0.17 -0.99 0.02 0.00 0.21 0.00 0.00 66.02 65.09 2kpu s SER 81 CO -0.07 -0.28 0.84 -2.16 0.41 0.00 0.00 173.24 171.98 2kpu s PRO 82 N 1.54 2.74 -0.07 12.44 0.05 -1.26 -1.52 135.00 148.91 2kpu s PRO 82 Ca -0.02 -0.34 0.16 0.00 0.05 0.00 0.00 61.00 60.85 2kpu s PRO 82 Cb -0.18 -2.37 -0.22 0.00 0.05 0.00 0.00 34.50 31.78 2kpu s PRO 82 CO -0.09 -0.70 0.52 0.54 0.05 0.00 0.00 177.00 177.32 2kpu n ARG 83 N -2.47 0.65 -3.90 4.56 1.74 -1.18 -4.75 116.66 111.31 2kpu n ARG 83 Ca 0.05 0.17 -0.26 0.00 -0.77 0.00 0.00 57.85 57.04 2kpu n ARG 83 Cb 0.59 -1.70 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 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 -2.68 0.95 -0.09 1.55 1.01 -1.26 0.59 120.40 120.46 2kpu s VAL 84 Ca -0.06 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2kpu s VAL 84 Cb 0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2kpu s VAL 84 CO 0.83 0.36 -0.11 0.68 0.00 0.00 0.00 175.10 176.85 2kpu s VAL 85 N 1.72 3.30 -0.61 2.92 -7.23 0.81 -4.87 120.40 116.44 2kpu s VAL 85 Ca 0.05 -0.61 -0.26 0.00 -1.81 0.00 0.00 61.98 59.35 2kpu s VAL 85 Cb -0.13 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.50 2kpu s VAL 85 CO -0.08 0.56 1.10 -0.89 -0.31 0.00 0.00 175.10 175.48 2kpu s THR 86 N -0.26 4.12 -0.17 5.32 2.01 -1.26 0.05 115.64 125.45 2kpu s THR 86 Ca 0.02 0.45 -0.08 0.00 0.31 0.00 0.00 61.69 62.39 2kpu s THR 86 Cb -0.13 -4.70 -0.04 0.00 0.01 0.00 0.00 72.50 67.64 2kpu s THR 86 CO 0.03 -1.38 0.10 -0.76 -0.69 0.00 0.00 174.62 171.92 2kpu s LEU 87 N 4.67 4.10 -0.46 4.42 1.43 0.69 -4.77 118.68 128.75 2kpu s LEU 87 Ca 0.35 0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.48 2kpu s LEU 87 Cb -0.10 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.12 2kpu s LEU 87 CO 0.19 0.25 0.66 -1.58 0.23 0.00 0.00 176.35 176.10 2kpu s GLN 88 N -0.05 3.24 -0.26 1.70 0.74 -1.26 -0.87 119.66 122.90 2kpu s GLN 88 Ca 0.09 -0.48 -0.16 0.00 0.05 0.00 0.00 55.36 54.85 2kpu s GLN 88 Cb -0.12 -3.99 -0.03 0.00 1.10 0.00 0.00 33.01 29.97 2kpu s GLN 88 CO 0.00 -1.09 0.43 -0.51 -0.55 0.00 0.00 175.29 173.57 2kpu s LEU 89 N 2.85 4.06 0.13 3.68 1.43 0.24 -0.19 118.68 130.87 2kpu s LEU 89 Ca 0.21 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 2kpu s LEU 89 Cb -0.15 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2kpu s LEU 89 CO 0.17 -0.21 0.02 -1.61 0.23 0.00 0.00 176.35 174.95 2kpu s GLU 90 N 2.06 2.54 -0.69 1.70 0.41 0.17 -0.10 118.70 124.80 2kpu s GLU 90 Ca 0.18 -0.94 -0.25 0.00 -0.41 0.00 0.00 54.97 53.55 2kpu s GLU 90 Cb -0.16 -2.49 0.05 0.00 -1.78 0.00 0.00 34.13 29.76 2kpu s GLU 90 CO 0.09 0.50 1.11 -1.58 -0.49 0.00 0.00 175.26 174.90 2kpu s HIS 91 N -1.52 2.50 -0.02 1.61 5.65 -1.26 -2.02 115.29 120.23 2kpu s HIS 91 Ca 0.27 -0.27 -0.16 0.00 0.25 0.00 0.00 55.06 55.15 2kpu s HIS 91 Cb -0.11 -4.44 -0.05 0.00 -1.18 0.00 0.00 32.58 26.80 2kpu s HIS 91 CO 0.19 -1.83 0.44 -1.58 -0.65 0.00 0.00 174.74 171.31 2kpu s HIS 92 N 4.84 3.69 0.28 3.88 2.46 -1.05 -5.03 115.29 124.36 2kpu s HIS 92 Ca 0.29 1.00 -0.29 0.00 0.47 0.00 0.00 55.06 56.53 2kpu s HIS 92 Cb -0.12 -2.37 -0.09 0.00 -0.13 0.00 0.00 32.58 29.86 2kpu s HIS 92 CO 0.13 0.53 0.98 -1.01 -2.47 0.00 0.00 174.74 172.91 2kpu s HIS 93 N -0.70 3.79 -0.12 3.88 3.76 -1.26 -4.75 115.29 119.88 2kpu s HIS 93 Ca 0.25 1.83 -0.06 0.00 -0.15 0.00 0.00 55.06 56.92 2kpu s HIS 93 Cb -0.17 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 2kpu s HIS 93 CO 0.13 0.11 0.08 -1.01 -0.85 0.00 0.00 174.74 173.21 2kpu s HIS 94 N -1.30 3.40 -0.11 1.40 3.76 -1.26 -4.93 115.29 116.25 2kpu s HIS 94 Ca 0.45 0.34 0.08 0.00 -0.15 0.00 0.00 55.06 55.79 2kpu s HIS 94 Cb -0.26 -1.93 -0.24 0.00 1.11 0.00 0.00 32.58 31.27 2kpu s HIS 94 CO 0.32 0.54 0.42 0.72 -0.85 0.00 0.00 174.74 175.89 2kpu n HIS 95 N 2.37 0.80 -1.00 1.40 8.25 -1.26 -5.25 115.22 120.54 2kpu n HIS 95 Ca -0.19 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2kpu n HIS 95 Cb 0.54 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.52 2kpu n HIS 95 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70