#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 3.92 0.34 -3.46 0.01 -1.26 -5.11 113.70 108.14 2kpu s SER 2 Ca 0.00 -1.58 -0.28 0.00 1.31 0.00 0.00 55.95 55.40 2kpu s SER 2 Cb 0.00 0.27 -0.10 0.00 0.21 0.00 0.00 66.02 66.40 2kpu s SER 2 CO 0.00 -0.75 1.27 -1.58 0.41 0.00 0.00 173.24 172.60 2kpu s GLN 3 N -3.82 4.30 -0.05 12.44 0.74 -1.26 -5.03 119.66 126.97 2kpu s GLN 3 Ca 0.15 2.14 -0.04 0.00 0.05 0.00 0.00 55.36 57.66 2kpu s GLN 3 Cb 0.04 -3.00 0.02 0.00 1.10 0.00 0.00 33.01 31.17 2kpu s GLN 3 CO 0.08 -0.21 0.14 0.99 -0.55 0.00 0.00 175.29 175.74 2kpu s THR 4 N -1.18 -0.01 -1.63 -0.34 2.01 -1.26 -5.03 115.64 108.20 2kpu s THR 4 Ca 0.50 0.03 0.10 0.00 0.31 0.00 0.00 61.69 62.64 2kpu s THR 4 Cb -0.38 -0.20 0.22 0.00 0.01 0.00 0.00 72.50 72.15 2kpu s THR 4 CO 0.50 0.01 1.17 0.18 -0.69 0.00 0.00 174.62 175.79 2kpu n LEU 5 N 3.20 0.00 0.18 4.42 4.77 -1.26 -0.51 117.00 127.79 2kpu n LEU 5 Ca -0.15 0.18 0.14 0.00 -0.03 0.00 0.00 56.01 56.15 2kpu n LEU 5 Cb 0.58 -0.18 0.47 0.00 -2.33 0.00 0.00 43.42 41.96 2kpu n LEU 5 CO 0.21 -0.12 0.89 0.44 -1.33 0.00 0.00 177.39 177.48 2kpu h ASP 6 N 0.00 0.00 0.00 -1.43 3.32 -2.00 -3.25 116.42 113.06 2kpu h ASP 6 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2kpu h ASP 6 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2kpu h ASP 6 CO 0.00 0.00 -1.45 0.54 -1.72 0.00 0.00 179.24 176.61 2kpu n ARG 7 N -2.60 0.33 -3.89 3.56 1.74 0.33 -4.81 116.66 111.32 2kpu n ARG 7 Ca 0.03 0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.87 2kpu n ARG 7 Cb 0.34 -1.16 -0.12 0.00 -1.02 0.00 0.00 32.46 30.50 2kpu n ARG 7 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2kpu s ASP 8 N -4.73 4.86 0.70 0.55 -4.77 -0.97 -0.35 116.67 111.95 2kpu s ASP 8 Ca -0.10 -3.82 -0.02 0.00 -3.30 0.00 0.00 52.55 45.30 2kpu s ASP 8 Cb 0.03 -1.65 0.10 0.00 -1.09 0.00 0.00 42.92 40.31 2kpu s ASP 8 CO 0.19 -0.09 0.97 -2.16 0.70 0.00 0.00 175.17 174.77 2kpu s PRO 9 N -1.41 1.87 -0.23 2.11 0.04 -1.17 -4.52 135.00 131.69 2kpu s PRO 9 Ca 0.25 -0.88 -0.06 0.00 0.04 0.00 0.00 61.00 60.35 2kpu s PRO 9 Cb -0.05 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2kpu s PRO 9 CO -0.16 -1.32 0.03 0.99 0.04 0.00 0.00 177.00 176.59 2kpu s THR 10 N -3.12 4.12 -0.20 1.26 2.01 -1.26 -1.70 115.64 116.75 2kpu s THR 10 Ca 0.64 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.32 2kpu s THR 10 Cb -0.07 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2kpu s THR 10 CO 0.44 0.39 0.07 -0.76 -0.69 0.00 0.00 174.62 174.06 2kpu s LEU 11 N 1.31 3.73 -0.44 4.42 1.43 0.15 -4.92 118.68 124.36 2kpu s LEU 11 Ca 0.04 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 2kpu s LEU 11 Cb -0.15 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.17 2kpu s LEU 11 CO 0.02 0.12 0.33 -0.89 0.23 0.00 0.00 176.35 176.16 2kpu s THR 12 N 0.70 5.04 0.07 5.49 2.01 -1.26 -0.34 115.64 127.35 2kpu s THR 12 Ca 0.03 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.11 2kpu s THR 12 Cb -0.13 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2kpu s THR 12 CO 0.02 -0.45 0.01 -0.76 -0.69 0.00 0.00 174.62 172.75 2kpu s LEU 13 N 1.62 3.53 0.21 4.42 1.43 0.62 -4.90 118.68 125.62 2kpu s LEU 13 Ca 0.04 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.76 2kpu s LEU 13 Cb -0.22 -2.22 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 2kpu s LEU 13 CO 0.07 0.19 0.83 -0.94 0.23 0.00 0.00 176.35 176.73 2kpu s SER 14 N -2.21 7.40 -0.05 2.29 1.04 -1.26 0.14 113.70 121.05 2kpu s SER 14 Ca 0.25 1.71 -0.19 0.00 0.48 0.00 0.00 55.95 58.20 2kpu s SER 14 Cb -0.12 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.43 2kpu s SER 14 CO 0.18 0.13 0.55 -0.22 0.98 0.00 0.00 173.24 174.86 2kpu s LEU 15 N -1.40 4.36 0.21 2.42 2.96 -0.93 -1.59 118.68 124.70 2kpu s LEU 15 Ca 0.40 1.02 0.10 0.00 -0.22 0.00 0.00 54.13 55.43 2kpu s LEU 15 Cb -0.22 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 2kpu s LEU 15 CO 0.26 0.06 -0.14 0.27 -1.32 0.00 0.00 176.35 175.48 2kpu s ILE 16 N 0.14 2.87 -0.45 6.68 -4.36 0.14 -4.80 121.20 121.42 2kpu s ILE 16 Ca 0.29 -1.90 -0.25 0.00 -0.26 0.00 0.00 60.65 58.53 2kpu s ILE 16 Cb -0.17 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.13 2kpu s ILE 16 CO 0.14 -0.18 0.92 0.00 0.24 0.00 0.00 174.94 176.07 2kpu s ALA 17 N -1.87 3.25 -0.11 2.27 0.00 -1.26 -2.36 121.76 121.68 2kpu s ALA 17 Ca 0.25 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2kpu s ALA 17 Cb -0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2kpu s ALA 17 CO 0.14 -2.01 0.02 0.21 0.00 0.00 0.00 175.76 174.12 2kpu s LYS 18 N 3.71 3.26 -1.21 0.00 2.20 -0.93 -4.44 119.74 122.32 2kpu s LYS 18 Ca 0.37 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 2kpu s LYS 18 Cb -0.10 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 2kpu s LYS 18 CO 0.25 0.58 0.00 0.09 -0.36 0.00 0.00 175.35 175.92 2kpu n ASN 19 N 2.52 -5.29 -4.64 1.43 3.02 -1.26 -1.18 115.26 109.85 2kpu n ASN 19 Ca -0.18 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 2kpu n ASN 19 Cb 0.53 -3.80 -0.02 0.00 -0.61 0.00 0.00 39.78 35.88 2kpu n ASN 19 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kpu s THR 20 N -2.12 4.11 0.99 3.41 2.01 -1.25 -4.22 115.64 118.58 2kpu s THR 20 Ca 0.00 1.30 -0.14 0.00 0.31 0.00 0.00 61.69 63.15 2kpu s THR 20 Cb 0.00 -4.00 0.18 0.00 0.01 0.00 0.00 72.50 68.69 2kpu s THR 20 CO 0.00 -0.30 1.16 -2.84 -0.69 0.00 0.00 174.62 171.96 2kpu s PRO 21 N 3.96 0.51 0.00 4.92 0.02 -1.26 -4.96 135.00 138.19 2kpu s PRO 21 Ca 0.58 0.10 0.28 0.00 0.02 0.00 0.00 61.00 61.99 2kpu s PRO 21 Cb -0.21 -1.78 1.14 0.00 0.02 0.00 0.00 34.50 33.67 2kpu s PRO 21 CO 0.21 -2.59 1.82 0.00 -0.33 0.00 0.00 177.00 176.10 2kpu n ALA 22 N -4.00 2.80 0.98 -1.55 0.00 -1.26 -3.12 120.51 114.35 2kpu n ALA 22 Ca 0.09 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.41 2kpu n ALA 22 Cb 0.59 -1.32 0.58 0.00 0.00 0.00 0.00 19.45 19.30 2kpu n ALA 22 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpu n ASN 23 N -1.08 0.00 -3.99 0.00 3.02 -1.26 -4.62 115.26 107.33 2kpu n ASN 23 Ca 0.12 0.39 -0.24 0.00 -0.03 0.00 0.00 54.58 54.82 2kpu n ASN 23 Cb 0.29 -0.46 -0.17 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.92 1.68 -0.06 6.41 1.04 -1.18 -3.53 113.70 115.15 2kpu s SER 24 Ca 0.15 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.35 2kpu s SER 24 Cb 0.17 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.51 2kpu s SER 24 CO 0.47 0.00 -0.15 -0.32 0.98 0.00 0.00 173.24 174.22 2kpu s MET 25 N 0.83 2.56 -0.46 4.02 1.75 -0.55 -4.78 119.30 122.68 2kpu s MET 25 Ca -0.12 -0.71 -0.06 0.00 -1.25 0.00 0.00 55.69 53.56 2kpu s MET 25 Cb -0.15 -2.38 0.12 0.00 2.84 0.00 0.00 34.83 35.26 2kpu s MET 25 CO 0.02 0.58 0.29 0.42 -0.65 0.00 0.00 175.02 175.68 2kpu s ILE 26 N -0.62 3.75 -0.68 10.11 1.01 -1.26 0.53 121.20 134.03 2kpu s ILE 26 Ca 0.09 -2.02 0.25 0.00 0.00 0.00 0.00 60.65 58.98 2kpu s ILE 26 Cb -0.11 -3.51 0.23 0.00 0.01 0.00 0.00 42.46 39.08 2kpu s ILE 26 CO 0.01 -0.75 1.64 0.24 0.00 0.00 0.00 174.94 176.08 2kpu h MET 27 N 8.14 0.00 -6.47 2.79 2.86 -1.98 -3.42 114.93 116.86 2kpu h MET 27 Ca -0.15 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.93 2kpu h MET 27 Cb 1.05 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.63 2kpu h MET 27 CO 0.77 0.00 0.91 0.99 1.06 0.00 0.00 176.91 180.64 2kpu s THR 28 N -3.13 4.09 0.05 2.22 2.01 -1.26 -4.98 115.64 114.63 2kpu s THR 28 Ca 0.09 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 2kpu s THR 28 Cb 0.12 -4.69 -0.08 0.00 0.01 0.00 0.00 72.50 67.86 2kpu s THR 28 CO 0.64 -1.29 1.75 -0.75 -0.69 0.00 0.00 174.62 174.28 2kpu s LYS 29 N 4.77 4.17 -0.01 4.92 2.20 -1.26 -4.89 119.74 129.64 2kpu s LYS 29 Ca 0.41 2.41 -0.30 0.00 -0.36 0.00 0.00 55.97 58.14 2kpu s LYS 29 Cb -0.08 -3.80 -0.08 0.00 -1.51 0.00 0.00 37.83 32.36 2kpu s LYS 29 CO 0.25 -0.82 1.90 -0.51 -0.36 0.00 0.00 175.35 175.81 2kpu s LEU 30 N 3.33 4.33 0.00 5.43 1.43 -1.26 -4.98 118.68 126.96 2kpu s LEU 30 Ca 0.78 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 56.38 2kpu s LEU 30 Cb -0.40 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2kpu s LEU 30 CO 0.34 -1.09 0.00 -0.81 0.23 0.00 0.00 176.35 175.03 2kpu n PRO 31 N 7.53 0.54 -4.29 1.29 -0.04 -1.26 -4.59 135.00 134.19 2kpu n PRO 31 Ca 0.20 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 2kpu n PRO 31 Cb 0.42 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.79 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 -1.06 5.33 -0.11 3.54 1.04 -1.26 -2.19 113.70 118.99 2kpu s SER 32 Ca 0.00 0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 2kpu s SER 32 Cb 0.00 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 2kpu s SER 32 CO 0.00 0.34 0.18 0.54 0.98 0.00 0.00 173.24 175.28 2kpu s VAL 33 N -0.99 5.43 -0.42 5.02 0.11 0.12 -4.90 120.40 124.78 2kpu s VAL 33 Ca 0.16 0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 59.46 2kpu s VAL 33 Cb -0.11 -3.45 0.10 0.00 -1.53 0.00 0.00 36.38 31.39 2kpu s VAL 33 CO 0.06 0.60 0.23 -0.13 -3.33 0.00 0.00 175.10 172.53 2kpu s ARG 34 N -0.95 2.25 -0.17 1.54 0.52 -1.23 -0.27 118.95 120.63 2kpu s ARG 34 Ca 0.16 -1.70 -0.06 0.00 -0.52 0.00 0.00 55.73 53.61 2kpu s ARG 34 Cb -0.13 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 2kpu s ARG 34 CO 0.05 -1.04 0.04 0.14 0.02 0.00 0.00 175.30 174.50 2kpu s VAL 35 N 1.25 4.56 -0.11 3.52 -7.23 0.54 -4.41 120.40 118.52 2kpu s VAL 35 Ca 0.06 -0.12 -0.15 0.00 -1.81 0.00 0.00 61.98 59.95 2kpu s VAL 35 Cb -0.23 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 2kpu s VAL 35 CO -0.02 0.48 0.38 -0.75 -0.31 0.00 0.00 175.10 174.88 2kpu s LYS 36 N 0.25 4.19 0.12 4.82 2.20 -1.25 0.30 119.74 130.36 2kpu s LYS 36 Ca 0.02 0.29 0.07 0.00 -0.36 0.00 0.00 55.97 56.00 2kpu s LYS 36 Cb -0.13 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 2kpu s LYS 36 CO 0.01 0.33 -0.18 0.95 -0.36 0.00 0.00 175.35 176.10 2kpu s THR 37 N 0.12 1.57 -0.55 3.43 -4.23 -0.69 -0.39 115.64 114.91 2kpu s THR 37 Ca 0.22 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 59.03 2kpu s THR 37 Cb -0.15 -1.54 0.14 0.00 1.34 0.00 0.00 72.50 72.29 2kpu s THR 37 CO 0.08 -0.22 0.40 -1.61 -0.54 0.00 0.00 174.62 172.73 2kpu s GLU 38 N -2.25 2.54 0.00 3.99 2.02 0.83 -3.05 118.70 122.78 2kpu s GLU 38 Ca 0.08 -2.09 0.00 0.00 0.02 0.00 0.00 54.97 52.98 2kpu s GLU 38 Cb -0.08 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.29 2kpu s GLU 38 CO 0.04 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.56 2kpu n GLY 39 N 4.31 3.64 3.50 -1.39 0.00 0.52 -1.21 105.19 114.57 2kpu n GLY 39 Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 2kpu n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kpu s TYR 40 N -2.00 3.04 -0.26 1.61 5.04 -1.26 -4.64 117.35 118.89 2kpu s TYR 40 Ca 0.00 -0.29 -0.29 0.00 -2.44 0.00 0.00 57.07 54.05 2kpu s TYR 40 Cb 0.00 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.31 2kpu s TYR 40 CO 0.00 -0.04 1.57 -0.80 -1.34 0.00 0.00 175.55 174.93 2kpu s ASN 41 N 0.43 6.37 0.00 4.32 0.01 -1.26 -4.93 114.94 119.88 2kpu s ASN 41 Ca -0.03 1.46 0.00 0.00 -0.71 0.00 0.00 52.86 53.58 2kpu s ASN 41 Cb -0.14 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.99 2kpu s ASN 41 CO 0.03 -1.29 0.00 -2.65 -1.51 0.00 0.00 177.10 171.68 2kpu n PRO 42 N 7.71 0.00 -0.14 -0.60 -0.02 -1.26 -4.60 135.00 136.10 2kpu n PRO 42 Ca 0.18 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 2kpu n PRO 42 Cb 0.46 -0.91 0.12 0.00 -0.02 0.00 0.00 33.50 33.15 2kpu n PRO 42 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2kpu n SER 43 N -1.74 2.71 -4.76 2.55 3.41 -1.26 -5.00 113.62 109.53 2kpu n SER 43 Ca 0.00 -2.02 -0.38 0.00 -0.26 0.00 0.00 58.87 56.22 2kpu n SER 43 Cb 0.00 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.03 5.15 -0.16 -1.33 1.01 -1.26 -5.07 121.20 118.51 2kpu s ILE 44 Ca 0.18 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.67 2kpu s ILE 44 Cb 0.09 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2kpu s ILE 44 CO 0.12 0.42 -0.10 0.20 0.00 0.00 0.00 174.94 175.58 2kpu s ASN 45 N 0.03 4.14 0.00 3.58 0.01 -1.26 -4.83 114.94 116.61 2kpu s ASN 45 Ca 0.24 -0.34 0.26 0.00 -0.71 0.00 0.00 52.86 52.30 2kpu s ASN 45 Cb -0.15 -1.66 1.17 0.00 0.41 0.00 0.00 41.25 41.02 2kpu s ASN 45 CO 0.10 0.10 1.84 1.33 -1.51 0.00 0.00 177.10 178.97 2kpu n VAL 46 N 3.96 0.22 1.31 1.60 0.24 -1.26 -1.46 118.33 122.94 2kpu n VAL 46 Ca -0.18 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.31 2kpu n VAL 46 Cb 0.52 -0.62 0.44 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.42 1.02 -0.11 -1.34 3.02 -1.26 -3.75 115.26 111.42 2kpu n ASN 47 Ca 0.08 -0.95 -0.14 0.00 -0.03 0.00 0.00 54.58 53.55 2kpu n ASN 47 Cb 0.26 0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.56 0.67 -2.81 3.52 1.02 -0.53 -4.93 120.64 117.02 2kpu n GLU 48 Ca 0.14 0.07 -0.40 0.00 -0.02 0.00 0.00 57.16 56.95 2kpu n GLU 48 Cb 0.34 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 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 -5.98 4.59 0.31 -4.62 1.43 -0.98 -5.07 118.68 108.36 2kpu s LEU 49 Ca -0.21 1.82 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 2kpu s LEU 49 Cb 0.07 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 2kpu s LEU 49 CO 0.73 0.12 0.02 -0.36 0.23 0.00 0.00 176.35 177.09 2kpu s PHE 50 N -0.87 1.97 0.04 0.29 0.08 -1.26 -4.73 117.98 113.50 2kpu s PHE 50 Ca 0.41 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 56.61 2kpu s PHE 50 Cb -0.24 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2kpu s PHE 50 CO 0.30 0.10 0.04 0.00 -0.10 0.00 0.00 175.22 175.56 2kpu s ALA 51 N -3.20 3.43 0.01 5.36 0.00 -0.62 -2.56 121.76 124.18 2kpu s ALA 51 Ca 0.34 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2kpu s ALA 51 Cb 0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 2kpu s ALA 51 CO 0.14 0.70 -0.00 1.52 0.00 0.00 0.00 175.76 178.12 2kpu s TYR 52 N -1.25 0.16 -0.13 0.00 1.13 0.11 0.27 117.35 117.64 2kpu s TYR 52 Ca 0.25 -0.32 -0.01 0.00 -1.41 0.00 0.00 57.07 55.57 2kpu s TYR 52 Cb -0.12 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 2kpu s TYR 52 CO 0.16 -0.14 -0.10 0.14 -2.51 0.00 0.00 175.55 173.11 2kpu s VAL 53 N -1.00 3.36 -0.97 -3.49 -7.23 -1.00 -0.25 120.40 109.83 2kpu s VAL 53 Ca -0.11 -0.55 -0.24 0.00 -1.81 0.00 0.00 61.98 59.27 2kpu s VAL 53 Cb -0.07 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.48 2kpu s VAL 53 CO -0.01 0.52 1.45 -0.62 -0.31 0.00 0.00 175.10 176.13 2kpu s ASP 54 N 0.28 6.38 -1.16 4.85 2.15 -1.24 -2.18 116.67 125.74 2kpu s ASP 54 Ca -0.07 -1.25 -0.04 0.00 0.43 0.00 0.00 52.55 51.62 2kpu s ASP 54 Cb -0.15 -2.57 0.19 0.00 -0.30 0.00 0.00 42.92 40.09 2kpu s ASP 54 CO 0.04 -1.62 2.21 0.18 -0.17 0.00 0.00 175.17 175.82 2kpu n LEU 55 N 9.22 7.72 0.00 -1.34 4.77 -0.32 -4.63 117.00 132.41 2kpu n LEU 55 Ca 0.29 -5.01 0.13 0.00 -0.03 0.00 0.00 56.01 51.39 2kpu n LEU 55 Cb 0.51 -1.28 0.70 0.00 -2.33 0.00 0.00 43.42 41.01 2kpu n LEU 55 CO 0.67 2.03 0.96 -1.54 -1.33 0.00 0.00 177.39 178.18 2kpu n SER 56 N 1.00 0.00 -4.24 -1.43 3.41 -1.26 -3.78 113.62 107.33 2kpu n SER 56 Ca 0.56 -0.23 -0.19 0.00 -0.26 0.00 0.00 58.87 58.75 2kpu n SER 56 Cb 0.27 -0.24 0.10 0.00 -0.26 0.00 0.00 64.21 64.08 2kpu n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kpu n GLY 57 N 0.94 0.87 0.60 5.00 0.00 -1.26 -5.00 105.19 106.35 2kpu n GLY 57 Ca 0.14 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2kpu n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kpu n SER 58 N -2.84 0.06 -4.64 1.61 7.64 -1.26 -4.64 113.62 109.56 2kpu n SER 58 Ca 0.14 -1.78 -0.43 0.00 1.01 0.00 0.00 58.87 57.81 2kpu n SER 58 Cb 0.51 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.00 3.99 0.73 1.43 8.01 -1.26 -4.83 118.70 126.77 2kpu s GLU 59 Ca 0.03 1.22 -0.12 0.00 0.01 0.00 0.00 54.97 56.11 2kpu s GLU 59 Cb 0.03 -3.83 0.04 0.00 -4.31 0.00 0.00 34.13 26.07 2kpu s GLU 59 CO -0.02 -1.02 1.09 -2.14 0.01 0.00 0.00 175.26 173.19 2kpu s PRO 60 N 3.95 2.46 0.30 0.39 0.02 -1.26 -4.73 135.00 136.13 2kpu s PRO 60 Ca 0.53 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2kpu s PRO 60 Cb -0.16 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2kpu s PRO 60 CO 0.20 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 2kpu n GLY 61 N -1.05 -1.81 3.55 0.52 0.00 0.85 -4.81 105.19 102.43 2kpu n GLY 61 Ca 0.09 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 3.44 0.01 1.61 2.02 -1.26 -0.09 118.70 124.44 2kpu s GLU 62 Ca 0.00 -0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.02 2kpu s GLU 62 Cb 0.00 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.24 2kpu s GLU 62 CO 0.00 -1.27 -0.21 -1.58 0.02 0.00 0.00 175.26 172.22 2kpu s HIS 63 N 3.67 2.47 0.17 1.61 2.46 0.96 -4.87 115.29 121.75 2kpu s HIS 63 Ca 0.33 -0.32 -0.28 0.00 0.47 0.00 0.00 55.06 55.26 2kpu s HIS 63 Cb -0.11 -1.48 -0.08 0.00 -0.13 0.00 0.00 32.58 30.78 2kpu s HIS 63 CO 0.23 0.15 0.89 -0.51 -2.47 0.00 0.00 174.74 173.03 2kpu s ASP 64 N -1.10 7.50 0.03 9.88 1.01 -1.26 -0.10 116.67 132.63 2kpu s ASP 64 Ca 0.12 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.17 2kpu s ASP 64 Cb -0.10 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 2kpu s ASP 64 CO 0.02 0.10 -0.04 -0.31 0.21 0.00 0.00 175.17 175.15 2kpu s TYR 65 N -0.76 0.39 -0.21 4.23 2.02 0.13 -4.92 117.35 118.22 2kpu s TYR 65 Ca 0.41 -0.57 -0.20 0.00 -0.37 0.00 0.00 57.07 56.34 2kpu s TYR 65 Cb -0.24 -0.26 -0.03 0.00 -0.40 0.00 0.00 41.96 41.03 2kpu s TYR 65 CO 0.29 -0.18 0.58 -2.00 -1.57 0.00 0.00 175.55 172.68 2kpu s GLU 66 N -1.71 4.18 0.10 -0.62 2.12 -1.26 -1.66 118.70 119.85 2kpu s GLU 66 Ca -0.12 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 2kpu s GLU 66 Cb -0.08 -3.59 -0.06 0.00 0.26 0.00 0.00 34.13 30.66 2kpu s GLU 66 CO -0.01 -0.24 0.91 0.08 -0.54 0.00 0.00 175.26 175.46 2kpu s VAL 67 N 1.92 4.55 0.14 3.70 1.01 -0.09 -3.71 120.40 127.91 2kpu s VAL 67 Ca 0.26 1.96 0.08 0.00 0.00 0.00 0.00 61.98 64.28 2kpu s VAL 67 Cb -0.16 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2kpu s VAL 67 CO 0.10 0.33 -0.19 -0.54 0.00 0.00 0.00 175.10 174.80 2kpu s LYS 68 N -0.05 1.20 0.05 2.72 1.02 0.65 -4.94 119.74 120.40 2kpu s LYS 68 Ca 0.45 -1.31 0.06 0.00 0.02 0.00 0.00 55.97 55.19 2kpu s LYS 68 Cb -0.23 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 2kpu s LYS 68 CO 0.28 0.28 -0.18 0.08 -0.92 0.00 0.00 175.35 174.89 2kpu s VAL 69 N -1.76 1.42 0.10 3.17 1.01 -1.26 0.09 120.40 123.16 2kpu s VAL 69 Ca 0.12 -1.19 -0.31 0.00 0.00 0.00 0.00 61.98 60.61 2kpu s VAL 69 Cb -0.07 -1.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 2kpu s VAL 69 CO 0.05 0.05 1.72 -1.61 0.00 0.00 0.00 175.10 175.31 2kpu s GLU 70 N -1.32 4.17 0.09 2.72 2.02 -1.06 -4.91 118.70 120.41 2kpu s GLU 70 Ca 0.04 2.44 -0.31 0.00 0.02 0.00 0.00 54.97 57.16 2kpu s GLU 70 Cb -0.09 -3.56 -0.11 0.00 0.10 0.00 0.00 34.13 30.47 2kpu s GLU 70 CO 0.02 -0.77 1.85 -2.30 0.02 0.00 0.00 175.26 174.09 2kpu n PRO 71 N 5.51 2.73 -3.44 0.39 -0.02 -1.26 -4.95 135.00 133.96 2kpu n PRO 71 Ca 0.16 0.99 -0.38 0.00 -2.02 0.00 0.00 63.50 62.26 2kpu n PRO 71 Cb 0.39 -2.89 -0.08 0.00 -0.02 0.00 0.00 33.50 30.91 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 3.05 5.23 0.43 4.25 1.09 -1.26 -5.08 121.20 128.92 2kpu s ILE 72 Ca 0.84 0.63 -0.23 0.00 -1.10 0.00 0.00 60.65 60.79 2kpu s ILE 72 Cb -0.50 -3.69 -0.08 0.00 -1.06 0.00 0.00 42.46 37.13 2kpu s ILE 72 CO 0.39 0.28 1.10 -2.16 -0.10 0.00 0.00 174.94 174.45 2kpu s PRO 73 N 1.16 3.96 0.00 2.79 0.04 -1.26 -3.97 135.00 137.72 2kpu s PRO 73 Ca 0.18 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2kpu s PRO 73 Cb -0.14 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2kpu s PRO 73 CO 0.07 -0.34 0.00 0.09 0.04 0.00 0.00 177.00 176.86 2kpu n ASN 74 N -0.33 0.00 -4.73 6.66 3.02 -1.26 -4.89 115.26 113.72 2kpu n ASN 74 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 2kpu n ASN 74 Cb 0.49 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 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 4.79 0.15 2.41 1.01 -1.25 -4.87 121.20 123.43 2kpu s ILE 75 Ca 0.00 1.69 -0.20 0.00 0.00 0.00 0.00 60.65 62.14 2kpu s ILE 75 Cb 0.00 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 2kpu s ILE 75 CO 0.00 0.31 0.66 -0.54 0.00 0.00 0.00 174.94 175.38 2kpu s LYS 76 N 0.25 4.28 -0.29 2.79 1.02 -0.35 -4.67 119.74 122.78 2kpu s LYS 76 Ca 0.41 0.85 -0.12 0.00 0.02 0.00 0.00 55.97 57.13 2kpu s LYS 76 Cb -0.20 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2kpu s LYS 76 CO 0.23 0.53 0.22 -1.50 -0.92 0.00 0.00 175.35 173.91 2kpu s ILE 77 N -1.29 5.29 -0.23 2.17 2.07 -1.26 -0.12 121.20 127.83 2kpu s ILE 77 Ca 0.36 0.15 -0.15 0.00 -1.41 0.00 0.00 60.65 59.60 2kpu s ILE 77 Cb -0.19 -3.58 -0.17 0.00 0.13 0.00 0.00 42.46 38.65 2kpu s ILE 77 CO 0.21 0.20 0.00 0.52 -1.91 0.00 0.00 174.94 173.96 2kpu n VAL 78 N 5.07 1.56 -4.47 4.00 0.31 0.48 -4.97 118.33 120.31 2kpu n VAL 78 Ca -0.13 -0.27 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 2kpu n VAL 78 Cb 0.52 -1.90 -0.13 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.45 1.62 -0.01 5.55 0.41 -0.96 -4.94 118.70 117.93 2kpu s GLU 79 Ca -0.32 -1.24 0.19 0.00 -0.41 0.00 0.00 54.97 53.20 2kpu s GLU 79 Cb 0.09 -1.99 0.33 0.00 -1.78 0.00 0.00 34.13 30.78 2kpu s GLU 79 CO 0.58 0.48 1.13 1.51 -0.49 0.00 0.00 175.26 178.47 2kpu n ILE 80 N 1.08 0.11 -2.93 -1.63 3.06 -1.26 -3.86 119.36 113.93 2kpu n ILE 80 Ca -0.17 -0.87 -0.39 0.00 -2.50 0.00 0.00 62.75 58.82 2kpu n ILE 80 Cb 0.53 0.82 -0.06 0.00 0.54 0.00 0.00 39.64 41.46 2kpu n ILE 80 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2kpu s SER 81 N -1.83 7.39 0.10 9.51 0.01 -1.26 -3.03 113.70 124.59 2kpu s SER 81 Ca 0.26 1.69 -0.30 0.00 1.31 0.00 0.00 55.95 58.91 2kpu s SER 81 Cb 0.30 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 2kpu s SER 81 CO -0.12 0.15 1.21 -2.84 0.41 0.00 0.00 173.24 172.04 2kpu s PRO 82 N -1.36 4.44 -0.11 12.44 0.02 -1.26 -3.53 135.00 145.64 2kpu s PRO 82 Ca 0.39 1.81 -0.28 0.00 0.02 0.00 0.00 61.00 62.95 2kpu s PRO 82 Cb -0.22 -3.31 -0.25 0.00 0.02 0.00 0.00 34.50 30.73 2kpu s PRO 82 CO 0.26 -0.22 0.87 0.00 -0.33 0.00 0.00 177.00 177.58 2kpu h ARG 83 N 6.37 0.03 -4.99 5.54 3.08 -1.90 -3.43 114.38 119.07 2kpu h ARG 83 Ca -0.42 -0.04 -0.66 0.00 0.07 0.00 0.00 59.98 58.93 2kpu h ARG 83 Cb 1.21 0.01 -0.29 0.00 0.08 0.00 0.00 29.97 30.99 2kpu h ARG 83 CO 0.80 0.93 -0.73 0.08 -1.07 0.00 0.00 179.97 179.98 2kpu s VAL 84 N -2.58 3.23 0.06 2.04 1.01 -1.26 -0.91 120.40 121.98 2kpu s VAL 84 Ca -0.18 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.31 2kpu s VAL 84 Cb -0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2kpu s VAL 84 CO 0.70 0.41 -0.25 0.68 0.00 0.00 0.00 175.10 176.64 2kpu s VAL 85 N 1.45 2.03 -0.52 2.92 -7.23 -0.66 -4.95 120.40 113.44 2kpu s VAL 85 Ca 0.05 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.65 2kpu s VAL 85 Cb -0.14 -1.76 0.11 0.00 0.56 0.00 0.00 36.38 35.15 2kpu s VAL 85 CO -0.04 0.27 0.47 -0.89 -0.31 0.00 0.00 175.10 174.60 2kpu s THR 86 N -0.86 5.21 0.09 5.32 2.01 -1.26 0.18 115.64 126.33 2kpu s THR 86 Ca 0.11 -1.34 -0.09 0.00 0.31 0.00 0.00 61.69 60.67 2kpu s THR 86 Cb -0.10 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 2kpu s THR 86 CO 0.03 -0.78 0.41 -0.76 -0.69 0.00 0.00 174.62 172.82 2kpu s LEU 87 N 1.64 4.33 -0.22 4.42 1.43 0.86 -4.74 118.68 126.41 2kpu s LEU 87 Ca 0.04 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 53.79 2kpu s LEU 87 Cb -0.28 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.85 2kpu s LEU 87 CO 0.04 0.15 0.26 -1.58 0.23 0.00 0.00 176.35 175.45 2kpu s GLN 88 N -2.01 4.13 -0.10 1.70 0.74 -1.26 -0.03 119.66 122.83 2kpu s GLN 88 Ca 0.34 -0.06 0.02 0.00 0.05 0.00 0.00 55.36 55.72 2kpu s GLN 88 Cb -0.14 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.44 2kpu s GLN 88 CO 0.19 0.05 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.29 2kpu s LEU 89 N 1.06 2.46 0.09 3.68 1.43 0.87 -4.32 118.68 123.96 2kpu s LEU 89 Ca 0.13 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2kpu s LEU 89 Cb -0.14 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2kpu s LEU 89 CO 0.05 0.20 0.22 -1.61 0.23 0.00 0.00 176.35 175.44 2kpu s GLU 90 N 0.14 3.40 -0.45 1.70 8.01 0.19 -0.11 118.70 131.58 2kpu s GLU 90 Ca -0.09 -0.51 -0.27 0.00 0.01 0.00 0.00 54.97 54.11 2kpu s GLU 90 Cb -0.16 -3.00 -0.03 0.00 -4.31 0.00 0.00 34.13 26.64 2kpu s GLU 90 CO 0.06 0.58 1.95 -1.01 0.01 0.00 0.00 175.26 176.85 2kpu s HIS 91 N -1.58 1.58 -0.29 1.61 3.76 -1.26 -1.48 115.29 117.64 2kpu s HIS 91 Ca 0.34 0.83 -0.08 0.00 -0.15 0.00 0.00 55.06 56.01 2kpu s HIS 91 Cb -0.12 -4.01 -0.01 0.00 1.11 0.00 0.00 32.58 29.55 2kpu s HIS 91 CO 0.28 -2.74 0.11 -1.58 -0.85 0.00 0.00 174.74 169.96 2kpu s HIS 92 N 8.67 3.14 0.00 1.40 2.46 -1.23 -4.91 115.29 124.83 2kpu s HIS 92 Ca 0.80 -0.66 0.00 0.00 0.47 0.00 0.00 55.06 55.67 2kpu s HIS 92 Cb -0.19 -2.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.97 2kpu s HIS 92 CO 0.28 -0.47 0.00 0.72 -2.47 0.00 0.00 174.74 172.80 2kpu n HIS 93 N 4.93 0.00 0.00 3.88 8.25 -1.26 -4.35 115.22 126.68 2kpu n HIS 93 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2kpu n HIS 93 Cb 0.49 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.50 2kpu n HIS 93 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpu n HIS 94 N -1.33 0.00 -0.05 4.41 -0.00 -1.26 -4.90 115.22 112.09 2kpu n HIS 94 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 2kpu n HIS 94 Cb 0.00 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.72 2kpu n HIS 94 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kpu n HIS 95 N -0.66 0.69 -1.17 1.57 -0.00 -1.26 -5.26 115.22 109.13 2kpu n HIS 95 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 2kpu n HIS 95 Cb 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 28.86 2kpu n HIS 95 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92