#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup s SER 2 N 0.00 0.13 -0.11 1.61 0.15 -1.26 -5.09 113.70 109.13 2cup s SER 2 Ca 0.00 -1.22 -0.07 0.00 0.70 0.00 0.00 55.95 55.36 2cup s SER 2 Cb 0.00 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 2cup s SER 2 CO 0.00 -0.87 -0.18 -1.20 1.20 0.00 0.00 173.24 172.19 2cup n SER 3 N -0.24 1.11 -0.37 5.45 7.64 -1.26 -5.14 113.62 120.81 2cup n SER 3 Ca -0.01 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2cup n SER 3 Cb 0.64 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2cup n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 4 N 2.24 1.48 0.99 0.23 0.00 -1.26 -4.94 105.19 103.92 2cup n GLY 4 Ca -0.22 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2cup n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cup n SER 5 N -0.16 0.70 -4.53 1.61 7.64 -1.26 -5.05 113.62 112.56 2cup n SER 5 Ca 0.00 0.00 -0.60 0.00 1.01 0.00 0.00 58.87 59.28 2cup n SER 5 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2cup n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cup n SER 6 N -2.59 0.17 -4.51 6.43 7.64 -1.26 -4.84 113.62 114.66 2cup n SER 6 Ca 0.00 1.16 -0.25 0.00 1.01 0.00 0.00 58.87 60.80 2cup n SER 6 Cb 0.30 -0.92 -0.10 0.00 -1.01 0.00 0.00 64.21 62.47 2cup n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cup s GLY 7 N 0.41 2.32 0.03 0.23 0.00 -1.26 -2.17 107.32 106.88 2cup s GLY 7 Ca 0.93 -2.01 -0.08 0.00 0.00 0.00 0.00 44.72 43.55 2cup s GLY 7 CO 0.60 -1.95 0.32 0.00 0.00 0.00 0.00 173.10 172.08 2cup n VAL 9 N 1.08 0.00 -0.08 0.00 0.24 -1.18 -2.50 118.33 115.89 2cup n VAL 9 Ca -0.10 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.68 2cup n VAL 9 Cb 0.53 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.86 2cup n VAL 9 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2cup n GLU 10 N 0.78 0.41 -0.06 7.34 -0.58 -1.26 -4.64 120.64 122.63 2cup n GLU 10 Ca 0.16 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.20 2cup n GLU 10 Cb 0.48 -1.21 0.25 0.00 -0.57 0.00 0.00 31.44 30.39 2cup n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cup n ARG 12 N 1.01 -2.60 -4.26 0.00 3.00 -1.04 -4.92 116.66 107.84 2cup n ARG 12 Ca 0.17 0.39 -0.25 0.00 -0.01 0.00 0.00 57.85 58.15 2cup n ARG 12 Cb 0.51 -4.98 -0.08 0.00 0.00 0.00 0.00 32.46 27.92 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2cup s LYS 13 N -5.21 2.30 0.34 5.56 1.02 -1.25 -4.81 119.74 117.69 2cup s LYS 13 Ca 0.08 -1.29 -0.28 0.00 0.02 0.00 0.00 55.97 54.49 2cup s LYS 13 Cb -0.04 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.95 2cup s LYS 13 CO 0.09 0.40 1.21 -1.25 -0.92 0.00 0.00 175.35 174.89 2cup s PRO 14 N -3.33 4.33 -0.02 -1.68 0.04 -1.26 -0.67 135.00 132.41 2cup s PRO 14 Ca 0.29 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2cup s PRO 14 Cb -0.08 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2cup s PRO 14 CO 0.19 -0.13 0.04 0.42 0.04 0.00 0.00 177.00 177.55 2cup s ILE 15 N -1.23 4.44 0.56 0.56 1.01 -0.92 -4.88 121.20 120.75 2cup s ILE 15 Ca 0.50 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2cup s ILE 15 Cb -0.35 -2.99 0.05 0.00 0.01 0.00 0.00 42.46 39.18 2cup s ILE 15 CO 0.46 0.40 0.78 -0.83 0.00 0.00 0.00 174.94 175.75 2cup s GLY 16 N -1.54 1.83 -0.07 6.18 0.00 -1.26 -4.77 107.32 107.69 2cup s GLY 16 Ca 0.20 -1.52 -0.26 0.00 0.00 0.00 0.00 44.72 43.14 2cup s GLY 16 CO 0.11 -1.19 0.99 0.00 0.00 0.00 0.00 173.10 173.01 2cup h ALA 17 N 0.07 0.01 -0.19 3.20 0.00 -2.00 -3.28 119.26 117.08 2cup h ALA 17 Ca -0.40 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 2cup h ALA 17 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2cup h ALA 17 CO 0.48 0.01 -0.08 -0.44 0.00 0.00 0.00 179.25 179.22 2cup h ASP 18 N -0.65 0.26 -2.75 0.00 3.32 -2.03 -3.43 116.42 111.16 2cup h ASP 18 Ca -0.02 -0.05 -0.54 0.00 0.02 0.00 0.00 57.03 56.45 2cup h ASP 18 Cb 0.93 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.42 2cup h ASP 18 CO 0.03 0.38 0.96 -0.94 -1.72 0.00 0.00 179.24 177.95 2cup s SER 19 N -6.86 6.68 -0.48 6.45 1.04 -1.24 -4.89 113.70 114.41 2cup s SER 19 Ca -0.06 2.36 -0.26 0.00 0.48 0.00 0.00 55.95 58.47 2cup s SER 19 Cb 0.16 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.65 2cup s SER 19 CO 0.73 -0.84 2.33 -0.54 0.98 0.00 0.00 173.24 175.90 2cup s LYS 20 N 2.65 2.25 0.17 4.02 -0.14 -1.26 -4.74 119.74 122.69 2cup s LYS 20 Ca 0.71 1.38 0.04 0.00 -1.36 0.00 0.00 55.97 56.74 2cup s LYS 20 Cb -0.37 -4.54 -0.04 0.00 -1.68 0.00 0.00 37.83 31.20 2cup s LYS 20 CO 0.30 -3.11 0.20 -1.83 -0.76 0.00 0.00 175.35 170.15 2cup s GLU 21 N 7.95 3.10 -0.33 1.68 -1.05 -1.26 -1.41 118.70 127.38 2cup s GLU 21 Ca 0.94 -0.80 0.02 0.00 -0.15 0.00 0.00 54.97 54.98 2cup s GLU 21 Cb -0.18 -2.75 0.09 0.00 -0.44 0.00 0.00 34.13 30.85 2cup s GLU 21 CO 0.26 0.49 0.04 0.08 0.95 0.00 0.00 175.26 177.08 2cup s VAL 22 N -1.79 2.57 -0.38 1.83 1.01 -0.19 -4.93 120.40 118.51 2cup s VAL 22 Ca 0.32 -1.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.09 2cup s VAL 22 Cb -0.10 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2cup s VAL 22 CO 0.25 -0.42 0.73 -2.28 0.00 0.00 0.00 175.10 173.39 2cup s HIS 23 N 1.05 3.10 -0.18 5.22 5.04 -1.26 -1.99 115.29 126.27 2cup s HIS 23 Ca 0.04 0.39 -0.09 0.00 -1.54 0.00 0.00 55.06 53.85 2cup s HIS 23 Cb -0.20 -3.37 0.06 0.00 0.04 0.00 0.00 32.58 29.11 2cup s HIS 23 CO -0.06 -0.76 0.42 -0.47 -2.34 0.00 0.00 174.74 171.54 2cup s TYR 24 N 3.00 -0.65 -1.12 3.88 5.04 -0.94 -4.92 117.35 121.64 2cup s TYR 24 Ca 0.28 1.35 -0.02 0.00 -2.44 0.00 0.00 57.07 56.25 2cup s TYR 24 Cb -0.13 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.47 2cup s TYR 24 CO 0.17 -0.37 0.95 1.63 -1.34 0.00 0.00 175.55 176.59 2cup n LYS 25 N 4.42 -6.33 -2.03 4.97 4.76 -1.26 -1.88 118.16 120.81 2cup n LYS 25 Ca -0.21 0.76 -0.18 0.00 -2.87 0.00 0.00 58.31 55.81 2cup n LYS 25 Cb 0.55 -5.54 -0.04 0.00 -1.84 0.00 0.00 35.03 28.16 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cup n ASN 26 N -2.82 -5.07 -4.49 4.39 3.02 -1.26 -4.95 115.26 104.09 2cup n ASN 26 Ca -0.18 0.22 -0.31 0.00 -0.03 0.00 0.00 54.58 54.28 2cup n ASN 26 Cb 0.62 -4.36 -0.07 0.00 -0.61 0.00 0.00 39.78 35.36 2cup n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2cup s ARG 27 N -4.40 2.14 -0.23 3.52 0.52 -0.79 -5.12 118.95 114.60 2cup s ARG 27 Ca 0.00 -2.37 -0.12 0.00 -0.52 0.00 0.00 55.73 52.72 2cup s ARG 27 Cb 0.00 -1.14 0.08 0.00 0.52 0.00 0.00 34.95 34.40 2cup s ARG 27 CO 0.00 -0.46 0.54 -0.06 0.02 0.00 0.00 175.30 175.34 2cup s PHE 28 N -3.01 -0.87 0.01 -0.53 0.40 -1.25 -2.22 117.98 110.51 2cup s PHE 28 Ca 0.09 1.74 0.07 0.00 -0.60 0.00 0.00 56.93 58.23 2cup s PHE 28 Cb 0.01 0.47 -0.02 0.00 0.51 0.00 0.00 43.02 43.98 2cup s PHE 28 CO 0.06 -0.46 -0.21 -1.58 0.70 0.00 0.00 175.22 173.73 2cup s TRP 29 N 1.75 1.89 0.78 0.36 0.51 -0.84 -3.12 118.94 120.27 2cup s TRP 29 Ca -0.09 -0.37 -0.12 0.00 -2.12 0.00 0.00 56.10 53.41 2cup s TRP 29 Cb -0.08 -1.17 0.07 0.00 -0.81 0.00 0.00 33.47 31.48 2cup s TRP 29 CO -0.16 0.03 1.12 -1.01 -0.51 0.00 0.00 176.95 176.42 2cup s HIS 30 N -0.63 2.27 -0.57 -1.98 3.76 -1.26 -1.03 115.29 115.85 2cup s HIS 30 Ca 0.08 1.62 0.09 0.00 -0.15 0.00 0.00 55.06 56.70 2cup s HIS 30 Cb -0.08 -3.20 0.48 0.00 1.11 0.00 0.00 32.58 30.88 2cup s HIS 30 CO 0.00 -2.14 1.23 -0.40 -0.85 0.00 0.00 174.74 172.59 2cup n ASP 31 N -3.40 0.23 -0.00 1.40 5.75 -0.50 -0.49 116.55 119.54 2cup n ASP 31 Ca 0.11 0.57 0.03 0.00 -0.01 0.00 0.00 54.79 55.49 2cup n ASP 31 Cb 0.52 -0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 39.97 2cup n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2cup n THR 32 N -1.79 0.00 -0.02 2.12 -2.24 -1.26 -4.62 114.28 106.46 2cup n THR 32 Ca -0.01 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 2cup n THR 32 Cb 0.07 0.69 -0.14 0.00 -2.10 0.00 0.00 70.33 68.85 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cup s PHE 34 N -2.56 1.66 0.36 0.00 5.36 0.36 -4.85 117.98 118.30 2cup s PHE 34 Ca -0.18 0.79 -0.09 0.00 -0.96 0.00 0.00 56.93 56.50 2cup s PHE 34 Cb 0.07 -4.08 0.03 0.00 -0.34 0.00 0.00 43.02 38.71 2cup s PHE 34 CO 0.77 -2.28 0.62 2.89 -1.46 0.00 0.00 175.22 175.76 2cup n ARG 35 N 9.17 0.89 -1.12 10.12 1.85 -1.26 -3.62 116.66 132.69 2cup n ARG 35 Ca 0.22 -2.34 -0.29 0.00 -1.00 0.00 0.00 57.85 54.44 2cup n ARG 35 Cb 0.52 2.59 0.18 0.00 -1.05 0.00 0.00 32.46 34.70 2cup n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2cup n ALA 37 N -4.20 2.99 -0.11 0.00 0.00 -0.90 -3.30 120.51 114.99 2cup n ALA 37 Ca 0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 2cup n ALA 37 Cb 0.57 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 2cup n ALA 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cup n LYS 38 N -1.51 0.53 -0.00 0.00 4.81 -1.26 -4.64 118.16 116.09 2cup n LYS 38 Ca 0.00 0.12 0.05 0.00 -0.87 0.00 0.00 58.31 57.62 2cup n LYS 38 Cb 0.22 -1.42 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cup n LEU 40 N -1.34 -3.42 -4.81 0.00 4.32 -1.21 -4.93 117.00 105.61 2cup n LEU 40 Ca 0.01 -0.54 -0.36 0.00 -0.02 0.00 0.00 56.01 55.10 2cup n LEU 40 Cb 0.18 -3.02 -0.07 0.00 -1.62 0.00 0.00 43.42 38.89 2cup n LEU 40 CO 0.21 0.64 -0.19 -2.28 -1.22 0.00 0.00 177.39 174.55 2cup s HIS 41 N -3.32 3.49 0.01 -1.77 2.46 -1.26 -4.54 115.29 110.36 2cup s HIS 41 Ca 0.56 0.42 -0.30 0.00 0.47 0.00 0.00 55.06 56.21 2cup s HIS 41 Cb -0.25 -1.99 -0.06 0.00 -0.13 0.00 0.00 32.58 30.15 2cup s HIS 41 CO 0.72 0.57 1.44 -1.25 -2.47 0.00 0.00 174.74 173.75 2cup s PRO 42 N -0.57 4.27 -0.09 2.88 0.04 -1.26 0.74 135.00 141.01 2cup s PRO 42 Ca 0.12 2.02 0.19 0.00 0.04 0.00 0.00 61.00 63.37 2cup s PRO 42 Cb -0.12 -3.59 0.69 0.00 0.04 0.00 0.00 34.50 31.52 2cup s PRO 42 CO 0.02 -0.61 1.59 1.28 0.04 0.00 0.00 177.00 179.33 2cup n LEU 43 N 5.45 4.51 -0.19 -3.56 7.99 -1.24 -4.53 117.00 125.43 2cup n LEU 43 Ca 0.14 -2.35 -0.03 0.00 -0.01 0.00 0.00 56.01 53.76 2cup n LEU 43 Cb 0.43 -0.55 0.03 0.00 -0.11 0.00 0.00 43.42 43.23 2cup n LEU 43 CO 0.59 0.85 0.68 0.00 -1.51 0.00 0.00 177.39 178.00 2cup h ALA 44 N 4.00 0.15 0.00 -1.18 0.00 -1.91 -1.67 119.26 118.65 2cup h ALA 44 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2cup h ALA 44 Cb 1.32 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2cup h ALA 44 CO 0.17 -0.57 -1.11 0.09 0.00 0.00 0.00 179.25 177.83 2cup n ASN 45 N -5.43 0.69 -4.45 0.00 3.02 -1.26 -4.96 115.26 102.87 2cup n ASN 45 Ca 0.05 -0.57 -0.18 0.00 -0.03 0.00 0.00 54.58 53.86 2cup n ASN 45 Cb 0.34 1.03 0.04 0.00 -0.61 0.00 0.00 39.78 40.58 2cup n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2cup n GLU 46 N -1.74 0.71 -3.03 3.52 4.71 -0.63 -5.12 120.64 119.07 2cup n GLU 46 Ca 0.02 -2.70 -0.30 0.00 -0.01 0.00 0.00 57.16 54.18 2cup n GLU 46 Cb 0.40 -0.06 -0.03 0.00 -1.01 0.00 0.00 31.44 30.74 2cup n GLU 46 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2cup s THR 47 N -2.10 4.87 0.10 2.62 -4.23 -1.26 -4.76 115.64 110.88 2cup s THR 47 Ca 0.44 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 2cup s THR 47 Cb -0.03 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 2cup s THR 47 CO 0.28 -0.45 -0.05 0.72 -0.54 0.00 0.00 174.62 174.57 2cup s PHE 48 N -2.27 0.85 -0.05 3.99 -0.71 -1.26 -4.40 117.98 114.12 2cup s PHE 48 Ca 0.48 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 55.42 2cup s PHE 48 Cb -0.10 -0.50 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 2cup s PHE 48 CO 0.31 -0.20 -0.02 0.08 -1.34 0.00 0.00 175.22 174.05 2cup s VAL 49 N -3.68 0.39 -0.40 -2.49 1.01 0.17 -4.98 120.40 110.41 2cup s VAL 49 Ca 0.12 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 2cup s VAL 49 Cb 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2cup s VAL 49 CO -0.05 0.21 0.26 0.00 0.00 0.00 0.00 175.10 175.53 2cup s ALA 50 N 1.25 3.38 0.02 5.51 0.00 -1.26 -0.78 121.76 129.88 2cup s ALA 50 Ca -0.06 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2cup s ALA 50 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 2cup s ALA 50 CO -0.02 -1.47 -0.03 -1.59 0.00 0.00 0.00 175.76 172.65 2cup s LYS 51 N 1.60 0.30 -1.72 0.00 -2.85 -0.84 -4.86 119.74 111.37 2cup s LYS 51 Ca 0.03 -0.57 -0.15 0.00 -1.00 0.00 0.00 55.97 54.28 2cup s LYS 51 Cb -0.20 0.06 0.15 0.00 -2.06 0.00 0.00 37.83 35.78 2cup s LYS 51 CO 0.08 -0.04 0.51 -0.25 0.10 0.00 0.00 175.35 175.75 2cup n ASP 52 N 1.72 -1.51 -3.95 0.03 8.00 -1.26 0.11 116.55 119.68 2cup n ASP 52 Ca -0.23 -1.17 -0.31 0.00 0.71 0.00 0.00 54.79 53.79 2cup n ASP 52 Cb 0.55 -2.05 0.02 0.00 -0.02 0.00 0.00 41.12 39.62 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cup n ASN 53 N -2.65 -4.69 -3.71 -2.24 4.13 -1.26 -4.96 115.26 99.87 2cup n ASN 53 Ca -0.03 -0.80 -0.14 0.00 1.68 0.00 0.00 54.58 55.30 2cup n ASN 53 Cb 0.54 -3.77 -0.14 0.00 -1.54 0.00 0.00 39.78 34.87 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2cup s LYS 54 N -6.66 0.14 0.06 3.52 -0.14 0.30 -5.14 119.74 111.82 2cup s LYS 54 Ca 0.68 0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 55.51 2cup s LYS 54 Cb -0.34 -0.15 -0.05 0.00 -1.68 0.00 0.00 37.83 35.61 2cup s LYS 54 CO 0.84 -0.20 0.96 0.42 -0.76 0.00 0.00 175.35 176.60 2cup s ILE 55 N 1.56 4.67 0.10 2.17 -1.09 -1.26 -1.98 121.20 125.37 2cup s ILE 55 Ca -0.06 2.04 -0.04 0.00 -2.23 0.00 0.00 60.65 60.36 2cup s ILE 55 Cb -0.11 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 2cup s ILE 55 CO -0.07 0.26 0.10 -0.76 -1.23 0.00 0.00 174.94 173.23 2cup s LEU 56 N 0.41 1.78 0.55 2.97 1.43 0.04 -2.11 118.68 123.75 2cup s LEU 56 Ca 0.48 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2cup s LEU 56 Cb -0.22 0.59 0.06 0.00 0.03 0.00 0.00 46.19 46.64 2cup s LEU 56 CO 0.29 -0.72 0.59 0.00 0.23 0.00 0.00 176.35 176.74 2cup h ASN 58 N 0.49 0.84 -0.40 0.00 2.35 -1.95 0.11 115.58 117.02 2cup h ASN 58 Ca -0.34 -0.50 0.10 0.00 -0.55 0.00 0.00 56.30 55.02 2cup h ASN 58 Cb 1.29 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 2cup h ASN 58 CO 0.49 1.17 0.28 0.11 -1.65 0.00 0.00 177.43 177.84 2cup h LYS 59 N 0.53 0.07 0.00 0.81 1.57 -1.96 -0.63 116.57 116.97 2cup h LYS 59 Ca 0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2cup h LYS 59 Cb 0.97 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2cup h LYS 59 CO 0.09 0.05 -0.38 0.00 -0.57 0.00 0.00 179.45 178.64 2cup h THR 61 N -0.64 0.14 -1.21 0.00 1.35 -0.79 -3.42 112.91 108.34 2cup h THR 61 Ca 0.00 -0.02 -0.60 0.00 -0.55 0.00 0.00 66.41 65.24 2cup h THR 61 Cb 0.38 0.07 0.12 0.00 -1.73 0.00 0.00 68.15 66.99 2cup h THR 61 CO 0.00 0.01 -0.67 1.07 -0.25 0.00 0.00 175.52 175.68 2cup n THR 62 N -4.41 1.27 -2.40 6.82 5.66 -0.24 -4.83 114.28 116.15 2cup n THR 62 Ca 0.37 -0.46 -0.42 0.00 -3.05 0.00 0.00 64.05 60.50 2cup n THR 62 Cb 1.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 70.31 2cup n THR 62 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2cup s ARG 63 N -0.92 4.45 -0.07 1.09 3.00 -1.26 -5.03 118.95 120.20 2cup s ARG 63 Ca 0.57 1.82 -0.06 0.00 0.00 0.00 0.00 55.73 58.06 2cup s ARG 63 Cb -0.73 -3.31 0.02 0.00 0.00 0.00 0.00 34.95 30.93 2cup s ARG 63 CO 0.55 -0.21 0.17 -1.21 0.00 0.00 0.00 175.30 174.60 2cup s GLU 64 N 0.67 0.19 -0.14 3.54 2.02 -1.26 -5.02 118.70 118.70 2cup s GLU 64 Ca 0.57 0.26 0.05 0.00 0.02 0.00 0.00 54.97 55.87 2cup s GLU 64 Cb -0.31 0.07 0.34 0.00 0.10 0.00 0.00 34.13 34.33 2cup s GLU 64 CO 0.31 -0.04 1.18 -0.25 0.02 0.00 0.00 175.26 176.49 2cup n ASP 65 N 3.14 3.20 -3.64 -0.19 8.00 -1.26 -4.80 116.55 121.01 2cup n ASP 65 Ca -0.14 -2.52 -0.04 0.00 0.71 0.00 0.00 54.79 52.80 2cup n ASP 65 Cb 0.58 -0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 2cup n ASP 65 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2cup s SER 66 N -0.23 -0.39 0.95 -2.24 0.15 -1.26 -5.11 113.70 105.57 2cup s SER 66 Ca 0.25 0.66 -0.12 0.00 0.70 0.00 0.00 55.95 57.44 2cup s SER 66 Cb 0.20 0.97 0.16 0.00 -1.71 0.00 0.00 66.02 65.64 2cup s SER 66 CO 0.06 -0.11 1.09 -2.16 1.20 0.00 0.00 173.24 173.33 2cup s PRO 67 N 0.85 0.81 0.17 5.44 0.04 -1.26 -4.86 135.00 136.21 2cup s PRO 67 Ca -0.04 0.65 0.09 0.00 0.04 0.00 0.00 61.00 61.75 2cup s PRO 67 Cb -0.04 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2cup s PRO 67 CO -0.12 -2.51 -0.19 -1.59 0.04 0.00 0.00 177.00 172.63 2cup s LYS 68 N -4.95 1.32 0.37 4.56 0.00 -1.26 -0.94 119.74 118.84 2cup s LYS 68 Ca 0.64 -1.44 0.05 0.00 0.00 0.00 0.00 55.97 55.23 2cup s LYS 68 Cb -0.18 -1.41 -0.00 0.00 0.00 0.00 0.00 37.83 36.23 2cup s LYS 68 CO 0.57 0.29 0.53 0.00 0.00 0.00 0.00 175.35 176.74 2cup n LYS 70 N -1.76 0.93 -0.01 0.00 3.00 -1.24 -3.38 118.16 115.69 2cup n LYS 70 Ca 0.01 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.31 58.14 2cup n LYS 70 Cb 0.58 -1.13 -0.03 0.00 0.00 0.00 0.00 35.03 34.45 2cup n LYS 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2cup h GLY 71 N 0.98 0.76 0.00 3.14 0.00 -1.93 -3.37 103.07 102.64 2cup h GLY 71 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.26 2cup h GLY 71 CO 0.00 0.92 -0.73 0.00 0.00 0.00 0.00 176.54 176.74 2cup n PHE 73 N -1.23 -0.87 -4.25 0.00 7.35 -1.22 -5.05 117.46 112.19 2cup n PHE 73 Ca 0.00 0.37 -0.17 0.00 -0.76 0.00 0.00 57.45 56.89 2cup n PHE 73 Cb 0.00 -3.21 -0.11 0.00 0.35 0.00 0.00 39.48 36.51 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2cup s LYS 74 N -4.45 1.05 0.12 -4.13 -0.14 -1.26 -4.84 119.74 106.09 2cup s LYS 74 Ca 0.02 -1.33 -0.31 0.00 -1.36 0.00 0.00 55.97 52.98 2cup s LYS 74 Cb -0.00 -0.81 -0.10 0.00 -1.68 0.00 0.00 37.83 35.24 2cup s LYS 74 CO 0.29 0.14 1.67 0.00 -0.76 0.00 0.00 175.35 176.69 2cup s ALA 75 N -2.62 3.75 -0.05 5.17 0.00 -1.26 -1.10 121.76 125.65 2cup s ALA 75 Ca 0.12 1.34 -0.13 0.00 0.00 0.00 0.00 51.96 53.29 2cup s ALA 75 Cb -0.02 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 2cup s ALA 75 CO 0.02 -1.02 0.32 0.42 0.00 0.00 0.00 175.76 175.50 2cup s ILE 76 N 2.12 5.19 0.07 0.00 1.01 -0.12 -4.91 121.20 124.56 2cup s ILE 76 Ca 0.74 0.64 0.01 0.00 0.00 0.00 0.00 60.65 62.05 2cup s ILE 76 Cb -0.43 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2cup s ILE 76 CO 0.33 0.56 0.14 -0.69 0.00 0.00 0.00 174.94 175.28 2cup s VAL 77 N -0.82 4.96 0.06 2.92 1.01 -1.26 -4.00 120.40 123.26 2cup s VAL 77 Ca 0.21 -0.57 -0.36 0.00 0.00 0.00 0.00 61.98 61.25 2cup s VAL 77 Cb -0.15 -3.40 -0.20 0.00 0.00 0.00 0.00 36.38 32.63 2cup s VAL 77 CO 0.10 0.14 1.52 0.00 0.00 0.00 0.00 175.10 176.86 2cup h ALA 78 N 3.23 -1.33 -1.12 5.51 0.00 -1.99 -2.84 119.26 120.72 2cup h ALA 78 Ca -0.46 -0.29 0.33 0.00 0.00 0.00 0.00 54.91 54.49 2cup h ALA 78 Cb 1.16 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 19.34 2cup h ALA 78 CO 0.71 -1.24 0.70 0.78 0.00 0.00 0.00 179.25 180.20 2cup h GLY 79 N -1.33 1.43 -1.15 0.00 0.00 -2.06 -3.41 103.07 96.56 2cup h GLY 79 Ca -0.13 -0.19 -0.49 0.00 0.00 0.00 0.00 47.33 46.52 2cup h GLY 79 CO 0.22 -0.29 0.28 0.99 0.00 0.00 0.00 176.54 177.74 2cup s ASP 80 N -4.95 3.91 0.12 0.19 1.11 -1.07 -5.02 116.67 110.96 2cup s ASP 80 Ca -0.09 1.55 -0.23 0.00 0.18 0.00 0.00 52.55 53.96 2cup s ASP 80 Cb 0.28 -2.25 -0.07 0.00 1.07 0.00 0.00 42.92 41.95 2cup s ASP 80 CO 0.80 -2.37 0.70 0.00 1.18 0.00 0.00 175.17 175.48 2cup s GLN 81 N -4.96 4.43 0.15 8.23 0.00 -1.26 -4.87 119.66 121.37 2cup s GLN 81 Ca 0.62 0.99 -0.09 0.00 -0.00 0.00 0.00 55.36 56.89 2cup s GLN 81 Cb -0.17 -3.26 -0.01 0.00 0.00 0.00 0.00 33.01 29.57 2cup s GLN 81 CO 0.56 0.58 0.26 0.54 0.00 0.00 0.00 175.29 177.23 2cup s ASN 82 N -1.06 0.06 -0.26 12.60 2.20 -1.26 -3.14 114.94 124.09 2cup s ASN 82 Ca 0.33 -0.82 -0.01 0.00 -0.94 0.00 0.00 52.86 51.43 2cup s ASN 82 Cb -0.22 0.41 0.08 0.00 -2.00 0.00 0.00 41.25 39.52 2cup s ASN 82 CO 0.23 -0.85 0.03 -0.69 -2.94 0.00 0.00 177.10 172.88 2cup s VAL 83 N -3.94 1.07 -0.01 3.54 1.01 0.16 -4.66 120.40 117.56 2cup s VAL 83 Ca 0.14 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 2cup s VAL 83 Cb 0.04 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2cup s VAL 83 CO -0.03 -0.36 0.67 -1.61 0.00 0.00 0.00 175.10 173.78 2cup s GLU 84 N 1.57 4.40 -0.23 2.72 2.02 -1.26 0.79 118.70 128.71 2cup s GLU 84 Ca 0.02 0.86 -0.03 0.00 0.02 0.00 0.00 54.97 55.84 2cup s GLU 84 Cb -0.18 -3.38 0.12 0.00 0.10 0.00 0.00 34.13 30.79 2cup s GLU 84 CO -0.13 0.24 0.30 -0.47 0.02 0.00 0.00 175.26 175.22 2cup s TYR 85 N 0.18 -0.54 -1.28 1.61 5.04 0.88 -4.89 117.35 118.34 2cup s TYR 85 Ca 0.35 0.41 -0.08 0.00 -2.44 0.00 0.00 57.07 55.31 2cup s TYR 85 Cb -0.19 -0.22 0.01 0.00 0.35 0.00 0.00 41.96 41.91 2cup s TYR 85 CO 0.19 -0.71 1.07 1.63 -1.34 0.00 0.00 175.55 176.39 2cup n LYS 86 N 5.34 -7.23 0.00 4.97 5.02 -1.26 -2.74 118.16 122.25 2cup n LYS 86 Ca -0.04 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2cup n LYS 86 Cb 0.49 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cup n GLY 87 N -1.88 2.55 3.70 0.72 0.00 -1.26 -4.97 105.19 104.05 2cup n GLY 87 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2cup n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cup s THR 88 N 0.00 4.71 0.10 2.61 -4.23 -1.11 -5.00 115.64 112.73 2cup s THR 88 Ca 0.00 1.96 0.06 0.00 -1.18 0.00 0.00 61.69 62.53 2cup s THR 88 Cb 0.00 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2cup s THR 88 CO 0.00 0.11 -0.06 0.54 -0.54 0.00 0.00 174.62 174.68 2cup s VAL 89 N 1.31 3.66 -0.01 2.29 0.11 -1.26 -0.09 120.40 126.41 2cup s VAL 89 Ca 0.52 -1.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.45 2cup s VAL 89 Cb -0.22 -2.73 -0.01 0.00 -1.53 0.00 0.00 36.38 31.90 2cup s VAL 89 CO 0.26 0.11 -0.11 0.26 -3.33 0.00 0.00 175.10 172.29 2cup s TRP 90 N -1.27 0.98 0.15 1.54 0.52 0.24 -3.72 118.94 117.39 2cup s TRP 90 Ca 0.23 -0.19 -0.34 0.00 0.02 0.00 0.00 56.10 55.82 2cup s TRP 90 Cb -0.11 -0.63 -0.15 0.00 -1.15 0.00 0.00 33.47 31.42 2cup s TRP 90 CO 0.16 -0.02 1.30 0.72 0.02 0.00 0.00 176.95 179.13 2cup n HIS 91 N 2.78 1.59 -0.43 -1.98 8.25 -1.26 0.39 115.22 124.57 2cup n HIS 91 Ca -0.14 0.59 0.34 0.00 -0.26 0.00 0.00 57.72 58.25 2cup n HIS 91 Cb 0.56 -2.35 0.54 0.00 1.12 0.00 0.00 29.99 29.87 2cup n HIS 91 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2cup n LYS 92 N 2.23 -0.01 0.01 -0.41 3.00 -1.19 0.24 118.16 122.03 2cup n LYS 92 Ca 0.16 0.84 -0.21 0.00 -0.00 0.00 0.00 58.31 59.10 2cup n LYS 92 Cb 0.24 -1.80 -0.14 0.00 0.00 0.00 0.00 35.03 33.34 2cup n LYS 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2cup h ASP 93 N 0.00 0.37 -0.63 3.14 5.19 -1.88 -3.36 116.42 119.24 2cup h ASP 93 Ca 0.66 -0.87 0.04 0.00 -0.62 0.00 0.00 57.03 56.24 2cup h ASP 93 Cb 2.41 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 41.75 2cup h ASP 93 CO -0.17 1.51 0.38 0.00 -3.12 0.00 0.00 179.24 177.84 2cup s PHE 95 N -6.12 2.61 0.00 0.00 2.19 0.21 -4.86 117.98 112.02 2cup s PHE 95 Ca -0.13 0.49 0.00 0.00 0.33 0.00 0.00 56.93 57.63 2cup s PHE 95 Cb 0.15 -3.87 0.00 0.00 -1.31 0.00 0.00 43.02 37.98 2cup s PHE 95 CO 0.76 -3.42 0.00 0.43 1.83 0.00 0.00 175.22 174.82 2cup n SER 96 N 5.35 0.18 -2.77 6.13 7.64 -1.26 -4.92 113.62 123.96 2cup n SER 96 Ca 0.15 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.00 2cup n SER 96 Cb 0.41 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2cup n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 97 N 2.66 -3.68 3.73 0.23 0.00 -1.26 -4.89 105.19 101.98 2cup n GLY 97 Ca 0.00 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.51 2cup n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cup s PRO 98 N -0.98 4.38 0.31 1.61 0.04 -1.26 -5.03 135.00 134.06 2cup s PRO 98 Ca -0.12 2.04 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2cup s PRO 98 Cb 0.01 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2cup s PRO 98 CO 0.60 -0.29 0.13 -1.12 0.04 0.00 0.00 177.00 176.36 2cup s SER 99 N 0.54 1.70 0.11 6.66 0.01 -1.26 -5.09 113.70 116.37 2cup s SER 99 Ca 0.58 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2cup s SER 99 Cb -0.36 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2cup s SER 99 CO 0.36 -0.82 0.00 -0.24 0.41 0.00 0.00 173.24 172.95 2cup n SER 100 N -0.82 0.25 0.00 2.44 2.88 -1.26 -5.33 113.62 111.79 2cup n SER 100 Ca -0.01 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2cup n SER 100 Cb 0.65 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42