#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cwi s LEU 3 N 0.00 0.54 -0.16 3.41 2.34 -0.80 0.12 118.68 124.13 3cwi s LEU 3 Ca 0.00 -0.90 -0.05 0.00 0.06 0.00 0.00 54.13 53.24 3cwi s LEU 3 Cb 0.00 1.53 -0.03 0.00 -0.56 0.00 0.00 46.19 47.13 3cwi s LEU 3 CO 0.00 -1.04 -0.01 -0.89 -1.06 0.00 0.00 176.35 173.35 3cwi s THR 4 N -4.00 4.09 -0.17 5.48 2.01 -0.52 -0.67 115.64 121.86 3cwi s THR 4 Ca 0.21 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.93 3cwi s THR 4 Cb 0.01 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.74 3cwi s THR 4 CO 0.06 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.65 3cwi s VAL 5 N 0.37 1.60 -1.47 3.82 1.01 0.39 -0.54 120.40 125.57 3cwi s VAL 5 Ca -0.02 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3cwi s VAL 5 Cb -0.14 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.74 3cwi s VAL 5 CO 0.02 0.35 0.93 0.59 0.00 0.00 0.00 175.10 176.99 3cwi n ASN 6 N 4.74 -4.06 0.00 3.32 3.02 0.05 -1.48 115.26 120.85 3cwi n ASN 6 Ca -0.16 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3cwi n ASN 6 Cb 0.49 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3cwi n ASN 6 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cwi n GLY 7 N -1.69 2.23 3.54 7.41 0.00 -1.26 -5.02 105.19 110.40 3cwi n GLY 7 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3cwi n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cwi s LYS 8 N -0.00 1.96 0.36 1.61 -0.14 -0.55 -5.06 119.74 117.92 3cwi s LYS 8 Ca 0.00 -1.12 -0.28 0.00 -1.36 0.00 0.00 55.97 53.21 3cwi s LYS 8 Cb 0.00 -2.20 -0.12 0.00 -1.68 0.00 0.00 37.83 33.83 3cwi s LYS 8 CO 0.00 0.49 1.33 -2.30 -0.76 0.00 0.00 175.35 174.11 3cwi n PRO 9 N 0.67 2.23 -3.85 -1.68 -0.02 -1.26 -0.47 135.00 130.62 3cwi n PRO 9 Ca -0.14 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3cwi n PRO 9 Cb 0.53 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 3cwi n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3cwi s SER 10 N -0.29 0.07 0.02 2.55 0.15 0.15 -4.79 113.70 111.57 3cwi s SER 10 Ca 0.55 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.75 3cwi s SER 10 Cb -0.54 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 3cwi s SER 10 CO 0.62 -0.61 -0.05 -0.89 1.20 0.00 0.00 173.24 173.51 3cwi s THR 11 N -2.98 0.33 -0.25 6.45 2.01 -1.26 -1.91 115.64 118.03 3cwi s THR 11 Ca -0.02 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 3cwi s THR 11 Cb 0.01 -0.39 0.08 0.00 0.01 0.00 0.00 72.50 72.21 3cwi s THR 11 CO -0.06 -0.29 0.06 -0.69 -0.69 0.00 0.00 174.62 172.95 3cwi s VAL 12 N -1.03 0.69 -0.03 3.82 1.01 -1.26 -5.01 120.40 118.59 3cwi s VAL 12 Ca -0.09 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 3cwi s VAL 12 Cb -0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3cwi s VAL 12 CO -0.00 -0.40 0.52 -1.81 0.00 0.00 0.00 175.10 173.40 3cwi s ASP 13 N 1.75 6.87 0.00 3.32 1.01 -1.26 -4.08 116.67 124.28 3cwi s ASP 13 Ca 0.03 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.32 3cwi s ASP 13 Cb -0.17 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3cwi s ASP 13 CO -0.16 0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.98 3cwi n GLY 14 N 2.44 0.48 2.89 0.21 0.00 -1.26 -5.08 105.19 104.88 3cwi n GLY 14 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3cwi n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwi s ALA 15 N -2.00 0.08 -0.62 4.61 0.00 -1.26 -5.01 121.76 117.56 3cwi s ALA 15 Ca 0.00 -0.07 0.23 0.00 0.00 0.00 0.00 51.96 52.12 3cwi s ALA 15 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3cwi s ALA 15 CO 0.00 0.01 0.99 0.39 0.00 0.00 0.00 175.76 177.15 3cwi n GLU 16 N 2.98 0.28 -3.62 0.00 -0.58 -1.26 -4.94 120.64 113.49 3cwi n GLU 16 Ca -0.13 -0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.56 3cwi n GLU 16 Cb 0.59 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 3cwi n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3cwi s SER 17 N -3.87 -0.19 -0.05 1.62 1.04 -1.26 -4.30 113.70 106.70 3cwi s SER 17 Ca 0.04 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 56.10 3cwi s SER 17 Cb 0.15 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.62 3cwi s SER 17 CO 0.81 -0.53 0.50 -0.76 0.98 0.00 0.00 173.24 174.24 3cwi s LEU 18 N -2.66 0.07 0.56 2.42 1.43 -0.94 -4.99 118.68 114.57 3cwi s LEU 18 Ca 0.10 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.63 3cwi s LEU 18 Cb 0.00 1.90 0.00 0.00 0.03 0.00 0.00 46.19 48.13 3cwi s LEU 18 CO -0.04 -0.49 0.86 0.54 0.23 0.00 0.00 176.35 177.45 3cwi s ASN 19 N -1.09 5.70 0.25 2.29 2.20 -1.26 0.15 114.94 123.18 3cwi s ASN 19 Ca -0.11 0.69 -0.05 0.00 -0.94 0.00 0.00 52.86 52.45 3cwi s ASN 19 Cb -0.03 -1.75 0.31 0.00 -2.00 0.00 0.00 41.25 37.79 3cwi s ASN 19 CO 0.06 -0.97 1.90 0.58 -2.94 0.00 0.00 177.10 175.73 3cwi h VAL 20 N -0.07 1.16 -0.49 3.54 2.07 -0.67 -1.76 116.25 120.04 3cwi h VAL 20 Ca -0.46 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 66.69 3cwi h VAL 20 Cb 1.25 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3cwi h VAL 20 CO 0.60 0.22 0.24 0.74 0.02 0.00 0.00 177.57 179.39 3cwi h THR 21 N 1.22 0.94 -0.41 2.57 2.02 -1.82 -0.44 112.91 117.00 3cwi h THR 21 Ca 0.39 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.31 3cwi h THR 21 Cb 0.00 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3cwi h THR 21 CO -0.12 0.09 -0.13 -0.33 0.37 0.00 0.00 175.52 175.40 3cwi h GLU 22 N 0.47 0.73 -0.10 6.66 5.08 -1.77 -2.76 114.58 122.89 3cwi h GLU 22 Ca 0.22 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3cwi h GLU 22 Cb 0.14 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3cwi h GLU 22 CO -0.16 0.83 0.05 1.25 -1.00 0.00 0.00 179.01 179.97 3cwi h LEU 23 N 0.66 0.14 -0.33 1.33 6.46 -0.55 0.77 115.31 123.79 3cwi h LEU 23 Ca 0.11 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3cwi h LEU 23 Cb 0.59 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 3cwi h LEU 23 CO 0.04 0.22 0.11 -0.07 -0.62 0.00 0.00 178.44 178.12 3cwi h LEU 24 N 0.04 0.13 0.09 2.25 4.07 -1.05 -0.54 115.31 120.30 3cwi h LEU 24 Ca 0.04 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 3cwi h LEU 24 Cb 0.12 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.88 3cwi h LEU 24 CO -0.00 0.11 -0.04 -1.28 -1.08 0.00 0.00 178.44 176.14 3cwi h SER 25 N 0.26 -0.11 -0.17 -0.43 0.87 -1.38 -0.19 113.55 112.40 3cwi h SER 25 Ca 0.15 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 3cwi h SER 25 Cb 0.12 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 3cwi h SER 25 CO -0.15 0.17 -0.12 0.00 -0.53 0.00 0.00 176.83 176.20 3cwi h ALA 26 N 0.50 0.01 0.00 6.23 0.00 -0.69 0.21 119.26 125.53 3cwi h ALA 26 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cwi h ALA 26 Cb 0.32 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3cwi h ALA 26 CO 0.02 -0.55 0.00 1.28 0.00 0.00 0.00 179.25 180.00 3cwi n LEU 27 N -5.27 0.00 -4.14 0.00 4.77 -0.23 -4.89 117.00 107.25 3cwi n LEU 27 Ca -0.02 0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.57 3cwi n LEU 27 Cb 0.19 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3cwi n LEU 27 CO 0.22 -0.01 -0.24 2.29 -1.33 0.00 0.00 177.39 178.32 3cwi n LYS 28 N -1.05 -0.40 -1.91 3.23 2.85 0.75 -4.81 118.16 116.83 3cwi n LYS 28 Ca 0.16 0.07 -0.42 0.00 -1.05 0.00 0.00 58.31 57.08 3cwi n LYS 28 Cb 0.10 -2.74 -0.03 0.00 -0.65 0.00 0.00 35.03 31.71 3cwi n LYS 28 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3cwi s VAL 29 N -3.72 2.91 0.41 0.58 1.01 -0.52 -4.94 120.40 116.14 3cwi s VAL 29 Ca 0.39 0.44 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 3cwi s VAL 29 Cb -0.21 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 3cwi s VAL 29 CO 0.98 0.01 1.47 0.00 0.00 0.00 0.00 175.10 177.56 3cwi s ALA 30 N 2.37 3.45 -1.51 5.51 0.00 -1.26 -2.71 121.76 127.60 3cwi s ALA 30 Ca 0.74 1.55 -0.06 0.00 0.00 0.00 0.00 51.96 54.19 3cwi s ALA 30 Cb -0.41 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.15 3cwi s ALA 30 CO 0.32 -1.14 0.52 1.04 0.00 0.00 0.00 175.76 176.51 3cwi n GLN 31 N 0.19 -3.15 0.31 0.00 6.02 -1.26 -4.79 117.38 114.70 3cwi n GLN 31 Ca 0.03 0.38 0.19 0.00 -0.01 0.00 0.00 57.00 57.59 3cwi n GLN 31 Cb 0.40 -4.66 1.05 0.00 1.02 0.00 0.00 30.24 28.05 3cwi n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3cwi h ALA 32 N 0.86 1.28 -0.44 -1.58 0.00 -1.92 -2.02 119.26 115.44 3cwi h ALA 32 Ca -0.62 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3cwi h ALA 32 Cb 1.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3cwi h ALA 32 CO 0.68 -0.09 0.27 0.93 0.00 0.00 0.00 179.25 181.04 3cwi h GLU 33 N 0.00 0.60 -2.24 0.00 3.07 -1.89 -3.26 114.58 110.86 3cwi h GLU 33 Ca 0.01 -0.05 -0.59 0.00 -0.50 0.00 0.00 59.36 58.23 3cwi h GLU 33 Cb 0.16 -0.13 -0.42 0.00 -0.84 0.00 0.00 28.75 27.52 3cwi h GLU 33 CO -0.00 0.44 -0.67 0.66 -1.40 0.00 0.00 179.01 178.04 3cwi n TYR 34 N -4.74 3.63 -4.33 4.33 4.02 -0.77 -5.02 117.16 114.29 3cwi n TYR 34 Ca 0.01 -4.02 -0.23 0.00 -0.01 0.00 0.00 57.90 53.65 3cwi n TYR 34 Cb 0.05 -0.50 -0.13 0.00 -0.02 0.00 0.00 39.34 38.74 3cwi n TYR 34 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3cwi s VAL 35 N -3.72 1.54 -0.14 -0.72 0.11 -1.19 -4.75 120.40 111.53 3cwi s VAL 35 Ca 0.46 -1.40 -0.05 0.00 -2.93 0.00 0.00 61.98 58.06 3cwi s VAL 35 Cb 0.24 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 3cwi s VAL 35 CO -0.10 -0.04 0.03 -0.89 -3.33 0.00 0.00 175.10 170.76 3cwi s THR 36 N -1.10 4.50 -0.14 5.04 2.01 0.17 -4.96 115.64 121.16 3cwi s THR 36 Ca 0.05 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 3cwi s THR 36 Cb -0.10 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 3cwi s THR 36 CO 0.03 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.72 3cwi s VAL 37 N -0.13 3.53 -0.10 3.82 1.01 -1.26 -0.83 120.40 126.44 3cwi s VAL 37 Ca 0.05 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3cwi s VAL 37 Cb -0.12 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3cwi s VAL 37 CO 0.02 0.51 -0.14 -1.61 0.00 0.00 0.00 175.10 173.88 3cwi s GLU 38 N 0.27 3.04 -0.16 2.72 2.02 -0.17 -0.84 118.70 125.58 3cwi s GLU 38 Ca -0.06 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.24 3cwi s GLU 38 Cb -0.15 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.59 3cwi s GLU 38 CO 0.04 0.37 -0.13 -1.17 0.02 0.00 0.00 175.26 174.39 3cwi s LEU 39 N -0.06 1.86 -1.51 1.80 2.96 -0.10 -0.41 118.68 123.22 3cwi s LEU 39 Ca -0.03 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.16 3cwi s LEU 39 Cb -0.14 -1.19 0.07 0.00 0.50 0.00 0.00 46.19 45.44 3cwi s LEU 39 CO 0.04 -0.09 0.86 0.59 -1.32 0.00 0.00 176.35 176.43 3cwi n ASN 40 N 4.75 -3.55 -0.00 3.68 3.02 0.64 -1.92 115.26 121.88 3cwi n ASN 40 Ca -0.16 -0.84 -0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3cwi n ASN 40 Cb 0.49 -3.67 -0.00 0.00 -0.61 0.00 0.00 39.78 35.99 3cwi n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cwi n GLY 41 N -1.66 0.48 3.12 7.41 0.00 -1.26 -5.03 105.19 108.24 3cwi n GLY 41 Ca -0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3cwi n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cwi s GLU 42 N -0.39 2.28 0.10 1.61 2.12 -0.81 -5.10 118.70 118.51 3cwi s GLU 42 Ca 0.00 -0.64 -0.31 0.00 0.36 0.00 0.00 54.97 54.39 3cwi s GLU 42 Cb 0.00 -1.80 -0.07 0.00 0.26 0.00 0.00 34.13 32.52 3cwi s GLU 42 CO 0.00 0.12 1.29 0.08 -0.54 0.00 0.00 175.26 176.21 3cwi s VAL 43 N 0.45 3.64 0.26 3.70 1.01 -1.26 -0.92 120.40 127.28 3cwi s VAL 43 Ca -0.15 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 3cwi s VAL 43 Cb -0.16 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3cwi s VAL 43 CO 0.06 0.11 0.48 -0.76 0.00 0.00 0.00 175.10 174.99 3cwi s LEU 44 N 0.92 4.12 -0.19 3.92 1.02 -0.02 -4.95 118.68 123.51 3cwi s LEU 44 Ca 0.61 0.52 -0.14 0.00 0.02 0.00 0.00 54.13 55.14 3cwi s LEU 44 Cb -0.33 -3.33 -0.05 0.00 0.02 0.00 0.00 46.19 42.50 3cwi s LEU 44 CO 0.31 -0.15 0.29 -1.61 0.02 0.00 0.00 176.35 175.20 3cwi s GLU 45 N -3.62 4.21 0.56 1.70 2.02 -1.26 -4.68 118.70 117.62 3cwi s GLU 45 Ca 0.41 0.05 0.31 0.00 0.02 0.00 0.00 54.97 55.75 3cwi s GLU 45 Cb -0.11 -3.47 1.46 0.00 0.10 0.00 0.00 34.13 32.12 3cwi s GLU 45 CO 0.31 0.14 1.87 -0.09 0.02 0.00 0.00 175.26 177.51 3cwi h ARG 46 N 6.98 0.00 0.00 1.61 2.43 -1.97 0.31 114.38 123.74 3cwi h ARG 46 Ca -0.39 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 3cwi h ARG 46 Cb 1.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3cwi h ARG 46 CO 0.73 0.00 -0.14 1.49 -1.51 0.00 0.00 179.97 180.54 3cwi h GLU 47 N 0.00 0.00 -0.55 0.20 4.57 -2.05 -2.73 114.58 114.01 3cwi h GLU 47 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 3cwi h GLU 47 Cb 1.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.17 3cwi h GLU 47 CO -0.00 0.14 0.00 0.00 -1.18 0.00 0.00 179.01 177.97 3cwi n ALA 48 N -2.32 2.78 -0.17 2.92 0.00 0.10 -4.58 120.51 119.24 3cwi n ALA 48 Ca -0.02 -1.56 0.04 0.00 0.00 0.00 0.00 53.44 51.90 3cwi n ALA 48 Cb 0.25 -0.84 0.32 0.00 0.00 0.00 0.00 19.45 19.18 3cwi n ALA 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3cwi h PHE 49 N 3.40 0.80 0.00 0.00 -1.00 -1.52 0.39 116.94 119.00 3cwi h PHE 49 Ca 0.00 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 3cwi h PHE 49 Cb 1.24 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 3cwi h PHE 49 CO 0.58 0.47 -0.48 -0.44 -1.61 0.00 0.00 178.31 176.83 3cwi h ASP 50 N 0.83 0.00 0.42 2.17 3.32 -1.83 -2.23 116.42 119.09 3cwi h ASP 50 Ca 0.27 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.06 3cwi h ASP 50 Cb 0.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 3cwi h ASP 50 CO -0.07 0.48 -1.80 0.00 -1.72 0.00 0.00 179.24 176.13 3cwi n ALA 51 N -2.39 1.67 -2.29 3.45 0.00 -0.85 -4.79 120.51 115.32 3cwi n ALA 51 Ca -0.01 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 3cwi n ALA 51 Cb 0.53 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 3cwi n ALA 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cwi s THR 52 N -2.70 3.74 -0.03 0.00 2.01 0.07 -4.98 115.64 113.76 3cwi s THR 52 Ca -0.06 1.21 0.05 0.00 0.31 0.00 0.00 61.69 63.20 3cwi s THR 52 Cb 0.08 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3cwi s THR 52 CO 0.83 0.05 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.75 3cwi s THR 53 N 1.60 2.85 -0.20 -0.82 2.01 -1.26 -1.58 115.64 118.25 3cwi s THR 53 Ca 0.62 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 3cwi s THR 53 Cb -0.32 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3cwi s THR 53 CO 0.28 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 174.10 3cwi s VAL 54 N -0.75 4.35 0.47 3.82 1.01 0.12 -4.96 120.40 124.46 3cwi s VAL 54 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3cwi s VAL 54 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3cwi s VAL 54 CO 0.01 0.43 0.04 -0.54 0.00 0.00 0.00 175.10 175.03 3cwi s LYS 55 N 0.83 2.12 0.16 2.72 1.02 -1.26 -2.21 119.74 123.11 3cwi s LYS 55 Ca 0.02 -2.25 -0.34 0.00 0.02 0.00 0.00 55.97 53.42 3cwi s LYS 55 Cb -0.14 -1.63 -0.15 0.00 -0.52 0.00 0.00 37.83 35.40 3cwi s LYS 55 CO 0.02 -0.25 1.39 -3.47 -0.92 0.00 0.00 175.35 172.12 3cwi n ASP 56 N -1.18 2.22 0.00 2.83 2.03 -1.26 -1.53 116.55 119.66 3cwi n ASP 56 Ca -0.12 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.31 3cwi n ASP 56 Cb 0.67 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 3cwi n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3cwi n GLY 57 N 2.61 1.50 3.81 0.27 0.00 0.34 -4.95 105.19 108.76 3cwi n GLY 57 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3cwi n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cwi s ASP 58 N -3.05 5.58 -0.22 1.61 1.01 -0.58 -4.77 116.67 116.24 3cwi s ASP 58 Ca 0.00 1.73 -0.01 0.00 0.71 0.00 0.00 52.55 54.98 3cwi s ASP 58 Cb 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.43 3cwi s ASP 58 CO 0.00 -1.31 -0.11 0.00 0.21 0.00 0.00 175.17 173.96 3cwi s ALA 59 N -2.72 2.57 0.01 5.23 0.00 -1.26 -1.44 121.76 124.16 3cwi s ALA 59 Ca 0.61 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3cwi s ALA 59 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3cwi s ALA 59 CO 0.45 -0.60 -0.13 0.14 0.00 0.00 0.00 175.76 175.62 3cwi s VAL 60 N 1.32 3.16 -0.01 0.00 -7.23 0.30 -0.26 120.40 117.69 3cwi s VAL 60 Ca 0.02 -0.96 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 3cwi s VAL 60 Cb -0.15 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 3cwi s VAL 60 CO -0.07 0.40 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.40 3cwi s GLU 61 N -1.33 0.93 -0.24 4.82 2.02 0.46 -0.77 118.70 124.59 3cwi s GLU 61 Ca 0.15 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.73 3cwi s GLU 61 Cb -0.11 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.24 3cwi s GLU 61 CO 0.05 0.21 -0.03 -0.06 0.02 0.00 0.00 175.26 175.45 3cwi s PHE 62 N -0.15 3.03 0.11 1.61 0.08 -1.26 -1.00 117.98 120.41 3cwi s PHE 62 Ca 0.02 -1.24 0.09 0.00 0.12 0.00 0.00 56.93 55.92 3cwi s PHE 62 Cb -0.05 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3cwi s PHE 62 CO -0.00 -0.64 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.75 3cwi s LEU 63 N 1.41 2.32 -0.14 -0.37 1.43 -0.01 -4.97 118.68 118.35 3cwi s LEU 63 Ca 0.03 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3cwi s LEU 63 Cb -0.16 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.16 3cwi s LEU 63 CO -0.03 0.07 -0.11 -0.31 0.23 0.00 0.00 176.35 176.19 3cwi s TYR 64 N -1.25 1.94 0.35 0.29 1.51 -1.26 0.42 117.35 119.35 3cwi s TYR 64 Ca 0.09 -1.09 0.07 0.00 -1.01 0.00 0.00 57.07 55.13 3cwi s TYR 64 Cb -0.10 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3cwi s TYR 64 CO 0.05 -0.62 0.38 -0.06 -1.11 0.00 0.00 175.55 174.18 3cwi s PHE 65 N 1.56 2.93 0.00 2.71 0.40 -1.26 -5.04 117.98 119.27 3cwi s PHE 65 Ca 0.04 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 3cwi s PHE 65 Cb -0.13 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.45 3cwi s PHE 65 CO -0.10 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.27 3cwi n GLY 67 N -1.51 2.32 2.76 4.36 0.00 -1.26 -5.08 105.19 106.78 3cwi n GLY 67 Ca 0.00 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 3cwi n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cwi n GLY 68 N -0.00 5.22 0.00 -0.02 0.00 -1.26 -5.40 105.19 103.73 3cwi n GLY 68 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.71 3cwi n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93