#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hty s SER 24 N 0.00 7.03 0.00 0.00 0.15 -1.26 -4.90 113.70 114.73 3hty s SER 24 Ca 0.00 1.89 0.27 0.00 0.70 0.00 0.00 55.95 58.82 3hty s SER 24 Cb 0.00 -2.57 0.97 0.00 -1.71 0.00 0.00 66.02 62.70 3hty s SER 24 CO 0.00 -0.29 1.73 0.00 1.20 0.00 0.00 173.24 175.88 3hty n ILE 25 N 0.09 0.00 -2.08 6.45 3.06 -1.26 -4.85 119.36 120.77 3hty n ILE 25 Ca 0.04 -0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.86 3hty n ILE 25 Cb 0.51 -0.16 -0.03 0.00 0.54 0.00 0.00 39.64 40.50 3hty n ILE 25 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3hty s VAL 26 N -2.92 3.02 0.00 9.51 1.01 -1.26 -4.89 120.40 124.87 3hty s VAL 26 Ca 0.15 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3hty s VAL 26 Cb 0.19 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3hty s VAL 26 CO 0.58 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3hty n GLY 27 N 3.35 0.72 3.66 4.51 0.00 -1.26 -5.03 105.19 111.14 3hty n GLY 27 Ca 0.11 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 3hty n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hty s SER 28 N 0.00 6.23 -0.16 1.61 0.01 -1.26 -4.39 113.70 115.75 3hty s SER 28 Ca 0.00 0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.53 3hty s SER 28 Cb 0.00 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 64.09 3hty s SER 28 CO 0.00 0.01 -0.20 0.26 0.41 0.00 0.00 173.24 173.72 3hty s TRP 29 N 1.18 2.61 0.06 2.43 0.52 0.43 -0.95 118.94 125.21 3hty s TRP 29 Ca 0.12 -1.43 0.04 0.00 0.02 0.00 0.00 56.10 54.84 3hty s TRP 29 Cb -0.14 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 3hty s TRP 29 CO 0.06 -0.70 -0.11 0.14 0.02 0.00 0.00 176.95 176.36 3hty s VAL 30 N 1.11 0.87 0.26 4.03 -7.23 -0.68 -0.90 120.40 117.85 3hty s VAL 30 Ca -0.00 -1.19 0.07 0.00 -1.81 0.00 0.00 61.98 59.05 3hty s VAL 30 Cb -0.14 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 3hty s VAL 30 CO -0.08 -0.28 -0.09 -1.83 -0.31 0.00 0.00 175.10 172.51 3hty s GLU 31 N -1.64 1.49 0.44 4.82 -1.05 0.97 -0.65 118.70 123.09 3hty s GLU 31 Ca -0.05 -1.72 -0.24 0.00 -0.15 0.00 0.00 54.97 52.80 3hty s GLU 31 Cb -0.10 -1.18 -0.08 0.00 -0.44 0.00 0.00 34.13 32.34 3hty s GLU 31 CO 0.01 0.10 1.24 -2.14 0.95 0.00 0.00 175.26 175.43 3hty s PRO 32 N -3.69 3.80 -0.16 -4.83 0.02 -1.26 -1.24 135.00 127.65 3hty s PRO 32 Ca 0.27 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 62.99 3hty s PRO 32 Cb 0.02 -2.56 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 3hty s PRO 32 CO 0.10 -0.58 1.18 0.08 -0.33 0.00 0.00 177.00 177.46 3hty s VAL 33 N -1.38 4.41 0.10 3.83 1.01 -0.00 -4.76 120.40 123.59 3hty s VAL 33 Ca 0.61 1.70 -0.35 0.00 0.00 0.00 0.00 61.98 63.95 3hty s VAL 33 Cb -0.34 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 3hty s VAL 33 CO 0.42 -0.12 1.59 -2.65 0.00 0.00 0.00 175.10 174.34 3hty n PRO 34 N 6.20 1.96 -0.21 2.72 -0.02 -1.26 -1.61 135.00 142.77 3hty n PRO 34 Ca 0.13 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3hty n PRO 34 Cb 0.46 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3hty n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hty n GLY 35 N 3.43 1.72 2.78 -1.23 0.00 -1.26 -4.98 105.19 105.65 3hty n GLY 35 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3hty n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hty s LEU 36 N 0.00 3.19 0.15 0.99 1.43 -0.63 -5.10 118.68 118.71 3hty s LEU 36 Ca 0.00 -2.80 -0.34 0.00 -1.03 0.00 0.00 54.13 49.96 3hty s LEU 36 Cb 0.00 -1.21 -0.14 0.00 0.03 0.00 0.00 46.19 44.87 3hty s LEU 36 CO 0.00 -0.25 1.56 1.21 0.23 0.00 0.00 176.35 179.10 3hty n GLU 37 N 3.34 2.06 -0.30 1.70 2.13 -1.26 -1.85 120.64 126.46 3hty n GLU 37 Ca 0.09 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3hty n GLU 37 Cb 0.34 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.55 3hty n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hty n GLY 38 N 3.35 1.88 3.87 8.31 0.00 -1.26 -5.02 105.19 116.31 3hty n GLY 38 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3hty n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hty s GLN 39 N -0.18 3.22 0.20 1.61 -0.21 -0.77 -5.03 119.66 118.49 3hty s GLN 39 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.79 3hty s GLN 39 Cb 0.00 -2.87 -0.05 0.00 1.00 0.00 0.00 33.01 31.09 3hty s GLN 39 CO 0.00 0.55 -0.03 0.14 -2.12 0.00 0.00 175.29 173.83 3hty s VAL 40 N -1.61 1.01 0.04 1.09 -7.23 -1.26 -0.82 120.40 111.62 3hty s VAL 40 Ca 0.33 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 3hty s VAL 40 Cb -0.12 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.69 3hty s VAL 40 CO 0.26 -0.47 0.38 0.00 -0.31 0.00 0.00 175.10 174.96 3hty s GLN 41 N -3.84 0.88 0.00 4.82 -2.07 -0.37 -4.69 119.66 114.39 3hty s GLN 41 Ca 0.24 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.39 3hty s GLN 41 Cb 0.05 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 3hty s GLN 41 CO 0.06 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 3hty n GLY 42 N 0.55 -0.91 3.03 2.60 0.00 -0.34 -0.02 105.19 110.09 3hty n GLY 42 Ca -0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3hty n GLY 42 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hty s ILE 43 N -3.76 0.01 0.56 -0.61 2.07 -0.08 -1.41 121.20 117.98 3hty s ILE 43 Ca 0.00 -0.12 0.06 0.00 -1.41 0.00 0.00 60.65 59.18 3hty s ILE 43 Cb 0.00 -0.23 0.06 0.00 0.13 0.00 0.00 42.46 42.42 3hty s ILE 43 CO 0.00 -0.06 0.48 1.17 -1.91 0.00 0.00 174.94 174.61 3hty n LYS 44 N 2.76 0.66 -3.58 3.50 4.81 -0.05 -0.43 118.16 125.83 3hty n LYS 44 Ca -0.14 -3.42 -0.07 0.00 -0.87 0.00 0.00 58.31 53.81 3hty n LYS 44 Cb 0.58 0.27 -0.04 0.00 0.02 0.00 0.00 35.03 35.87 3hty n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hty s GLU 46 N -4.34 0.46 0.32 1.64 2.02 -0.05 -1.10 118.70 117.66 3hty s GLU 46 Ca 0.36 -0.03 -0.28 0.00 0.02 0.00 0.00 54.97 55.05 3hty s GLU 46 Cb -0.03 0.21 -0.13 0.00 0.10 0.00 0.00 34.13 34.29 3hty s GLU 46 CO 0.23 -0.17 1.15 0.39 0.02 0.00 0.00 175.26 176.88 3hty n GLU 47 N 0.30 1.73 0.00 1.61 -0.58 -1.26 -2.13 120.64 120.30 3hty n GLU 47 Ca -0.05 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 3hty n GLU 47 Cb 0.59 -2.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 3hty n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hty n GLY 48 N 0.99 1.03 0.00 0.62 0.00 -1.26 -4.43 105.19 102.15 3hty n GLY 48 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hty n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hty n GLY 49 N -2.00 0.54 3.76 -0.02 0.00 -0.91 -5.04 105.19 101.52 3hty n GLY 49 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3hty n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hty s VAL 50 N -2.00 3.61 0.11 1.61 1.01 -1.24 -1.18 120.40 122.33 3hty s VAL 50 Ca 0.00 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.60 3hty s VAL 50 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3hty s VAL 50 CO 0.00 0.34 -0.10 0.00 0.00 0.00 0.00 175.10 175.33 3hty s ALA 51 N -1.23 1.23 0.02 5.51 0.00 -0.65 -0.87 121.76 125.77 3hty s ALA 51 Ca 0.45 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 3hty s ALA 51 Cb -0.30 0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3hty s ALA 51 CO 0.38 -0.05 0.24 -1.54 0.00 0.00 0.00 175.76 174.80 3hty s SER 52 N -2.65 -0.07 0.37 0.00 1.04 -0.25 -3.49 113.70 108.65 3hty s SER 52 Ca 0.09 -0.16 -0.24 0.00 0.48 0.00 0.00 55.95 56.12 3hty s SER 52 Cb -0.01 0.29 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 3hty s SER 52 CO 0.00 -0.50 0.97 -0.44 0.98 0.00 0.00 173.24 174.25 3hty s SER 53 N -1.72 7.09 -0.25 7.02 0.01 -1.26 -0.87 113.70 123.72 3hty s SER 53 Ca -0.09 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.02 3hty s SER 53 Cb -0.03 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.66 3hty s SER 53 CO -0.00 -0.25 -0.09 -0.69 0.41 0.00 0.00 173.24 172.62 3hty s VAL 54 N -1.77 2.54 -0.10 3.43 1.01 -0.50 -4.81 120.40 120.21 3hty s VAL 54 Ca 0.55 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 3hty s VAL 54 Cb -0.17 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3hty s VAL 54 CO 0.22 0.14 0.08 -3.20 0.00 0.00 0.00 175.10 172.33 3hty n ASN 55 N 4.58 -5.25 0.00 3.32 5.15 -1.26 -1.20 115.26 120.59 3hty n ASN 55 Ca -0.16 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.87 3hty n ASN 55 Cb 0.45 -3.20 0.00 0.00 -0.53 0.00 0.00 39.78 36.50 3hty n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hty n ALA 57 N 1.84 0.25 -0.01 5.20 0.00 -1.26 -4.72 120.51 121.81 3hty n ALA 57 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hty n ALA 57 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3hty n ALA 57 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hty n THR 58 N -0.34 0.00 -4.95 0.00 -2.24 -1.26 -4.97 114.28 100.52 3hty n THR 58 Ca 0.00 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 3hty n THR 58 Cb 0.00 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 3hty n THR 58 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hty s LEU 59 N -1.35 2.20 -0.49 3.22 1.43 -1.26 -0.78 118.68 121.65 3hty s LEU 59 Ca 0.00 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3hty s LEU 59 Cb 0.00 -1.46 0.13 0.00 0.03 0.00 0.00 46.19 44.89 3hty s LEU 59 CO 0.00 0.13 0.29 -0.69 0.23 0.00 0.00 176.35 176.31 3hty s VAL 60 N 0.53 3.50 0.33 -1.59 1.01 0.27 -4.80 120.40 119.64 3hty s VAL 60 Ca -0.13 -2.33 -0.27 0.00 0.00 0.00 0.00 61.98 59.24 3hty s VAL 60 Cb -0.17 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 3hty s VAL 60 CO 0.05 -0.76 1.10 -0.31 0.00 0.00 0.00 175.10 175.18 3hty s TYR 61 N 0.76 3.41 0.00 5.22 2.02 -1.26 -1.09 117.35 126.41 3hty s TYR 61 Ca 0.11 1.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.47 3hty s TYR 61 Cb -0.22 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.06 3hty s TYR 61 CO -0.04 -0.72 0.00 0.39 -1.57 0.00 0.00 175.55 173.62 3hty n GLU 62 N 0.71 1.82 -3.67 -0.62 1.02 0.55 -3.82 120.64 116.64 3hty n GLU 62 Ca 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 3hty n GLU 62 Cb 0.46 -0.70 -0.04 0.00 -0.02 0.00 0.00 31.44 31.14 3hty n GLU 62 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hty s SER 63 N -1.68 -0.28 0.02 1.62 1.04 -0.79 -1.63 113.70 112.00 3hty s SER 63 Ca 0.00 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 3hty s SER 63 Cb 0.00 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 3hty s SER 63 CO 0.00 -0.96 -0.02 -1.66 0.98 0.00 0.00 173.24 171.58 3hty s TRP 64 N -3.83 0.24 -0.13 5.02 1.48 -0.32 -1.43 118.94 119.96 3hty s TRP 64 Ca 0.06 -0.49 -0.12 0.00 -1.06 0.00 0.00 56.10 54.49 3hty s TRP 64 Cb 0.00 -0.18 0.03 0.00 -1.16 0.00 0.00 33.47 32.17 3hty s TRP 64 CO -0.07 -0.20 0.35 0.21 -4.06 0.00 0.00 176.95 173.18 3hty s LYS 65 N -1.43 0.41 -0.17 3.25 2.20 -0.60 -4.58 119.74 118.80 3hty s LYS 65 Ca -0.16 0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.88 3hty s LYS 65 Cb -0.10 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 3hty s LYS 65 CO -0.01 -0.05 0.04 -1.14 -0.36 0.00 0.00 175.35 173.83 3hty s GLN 66 N 0.21 3.90 -0.24 4.03 0.74 -1.26 -0.79 119.66 126.24 3hty s GLN 66 Ca -0.00 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.02 3hty s GLN 66 Cb -0.03 -3.14 0.07 0.00 1.10 0.00 0.00 33.01 31.02 3hty s GLN 66 CO 0.00 0.28 0.02 -1.21 -0.55 0.00 0.00 175.29 173.83 3hty s GLU 67 N 0.34 1.02 7.61 1.67 2.02 -0.36 -4.99 118.70 126.01 3hty s GLU 67 Ca 0.01 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3hty s GLU 67 Cb -0.13 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.82 3hty s GLU 67 CO 0.01 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 174.96 3hty n GLY 68 N 4.84 3.03 1.59 -1.39 0.00 -1.26 -0.80 105.19 111.19 3hty n GLY 68 Ca -0.08 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.82 3hty n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hty n THR 69 N 0.00 2.64 -3.92 2.61 -2.24 -1.26 -4.95 114.28 107.16 3hty n THR 69 Ca 0.00 -1.59 -0.32 0.00 -2.27 0.00 0.00 64.05 59.87 3hty n THR 69 Cb 0.00 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 3hty n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hty s LYS 70 N -2.82 3.41 -0.16 -0.78 -0.14 0.02 -0.87 119.74 118.40 3hty s LYS 70 Ca 0.51 -0.42 0.02 0.00 -1.36 0.00 0.00 55.97 54.72 3hty s LYS 70 Cb 0.40 -3.04 0.01 0.00 -1.68 0.00 0.00 37.83 33.52 3hty s LYS 70 CO 0.13 0.63 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.97 3hty s LEU 71 N -2.33 2.13 -0.23 3.17 2.96 -1.26 -1.22 118.68 121.89 3hty s LEU 71 Ca 0.32 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3hty s LEU 71 Cb -0.13 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3hty s LEU 71 CO 0.25 0.04 0.04 -0.63 -1.32 0.00 0.00 176.35 174.73 3hty s ILE 72 N 1.07 4.12 -0.07 6.68 -1.09 0.03 -4.23 121.20 127.70 3hty s ILE 72 Ca -0.01 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 3hty s ILE 72 Cb -0.14 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 3hty s ILE 72 CO -0.08 0.37 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.05 3hty s LEU 73 N 1.46 2.43 0.05 2.97 1.43 0.43 -1.56 118.68 125.88 3hty s LEU 73 Ca 0.05 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3hty s LEU 73 Cb -0.15 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3hty s LEU 73 CO 0.02 0.27 -0.15 -0.89 0.23 0.00 0.00 176.35 175.83 3hty s THR 74 N -0.26 1.18 -0.93 5.49 2.01 -0.52 -0.12 115.64 122.50 3hty s THR 74 Ca 0.00 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.92 3hty s THR 74 Cb -0.13 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.30 3hty s THR 74 CO 0.03 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 3hty n GLY 75 N 1.77 -0.68 3.36 4.40 0.00 -0.79 -0.33 105.19 112.92 3hty n GLY 75 Ca -0.18 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3hty n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hty s LYS 76 N -0.37 2.42 -0.14 1.61 -0.14 -0.25 -0.42 119.74 122.45 3hty s LYS 76 Ca 0.00 -0.83 0.02 0.00 -1.36 0.00 0.00 55.97 53.80 3hty s LYS 76 Cb 0.00 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 3hty s LYS 76 CO 0.00 0.52 -0.19 0.45 -0.76 0.00 0.00 175.35 175.37 3hty s SER 77 N -0.49 3.39 -0.14 2.83 0.15 0.81 -0.57 113.70 119.68 3hty s SER 77 Ca 0.06 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 56.08 3hty s SER 77 Cb -0.11 -1.50 -0.05 0.00 -1.71 0.00 0.00 66.02 62.65 3hty s SER 77 CO 0.01 0.10 0.21 -0.63 1.20 0.00 0.00 173.24 174.13 3hty s ILE 78 N 0.69 5.37 0.00 6.45 1.01 0.04 -1.80 121.20 132.96 3hty s ILE 78 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3hty s ILE 78 Cb -0.16 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3hty s ILE 78 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3hty n GLY 79 N 2.79 2.22 3.57 6.18 0.00 -0.18 -4.87 105.19 114.91 3hty n GLY 79 Ca -0.16 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 3hty n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hty n ASN 80 N 0.00 -4.16 0.00 1.61 5.03 -1.26 -1.57 115.26 114.91 3hty n ASN 80 Ca 0.00 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.90 3hty n ASN 80 Cb 0.00 -3.39 0.00 0.00 -1.02 0.00 0.00 39.78 35.37 3hty n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hty n GLY 81 N -1.36 0.74 3.29 7.41 0.00 -1.26 -5.05 105.19 108.96 3hty n GLY 81 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 3hty n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hty s GLN 82 N -0.36 1.17 -0.24 1.61 -0.21 -0.61 -5.12 119.66 115.90 3hty s GLN 82 Ca 0.00 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.01 3hty s GLN 82 Cb 0.00 -1.11 0.07 0.00 1.00 0.00 0.00 33.01 32.98 3hty s GLN 82 CO 0.00 0.21 0.03 0.99 -2.12 0.00 0.00 175.29 174.40 3hty s THR 83 N -2.22 0.95 0.16 -0.19 2.01 -1.26 -1.01 115.64 114.08 3hty s THR 83 Ca 0.14 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.19 3hty s THR 83 Cb -0.05 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 3hty s THR 83 CO 0.05 -0.33 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.83 3hty s ILE 84 N 1.63 1.84 0.28 1.82 1.01 -0.75 -4.90 121.20 122.14 3hty s ILE 84 Ca 0.01 -1.86 -0.29 0.00 0.00 0.00 0.00 60.65 58.50 3hty s ILE 84 Cb -0.18 -1.82 -0.10 0.00 0.01 0.00 0.00 42.46 40.38 3hty s ILE 84 CO -0.12 -0.26 1.25 -0.70 0.00 0.00 0.00 174.94 175.10 3hty s GLU 85 N -2.64 4.45 0.12 2.79 2.56 -1.26 -0.13 118.70 124.58 3hty s GLU 85 Ca 0.15 2.06 0.07 0.00 0.00 0.00 0.00 54.97 57.24 3hty s GLU 85 Cb -0.07 -3.14 -0.04 0.00 2.00 0.00 0.00 34.13 32.89 3hty s GLU 85 CO 0.06 -0.09 -0.18 -0.59 -0.56 0.00 0.00 175.26 173.91 3hty s PHE 86 N -0.82 1.63 -0.12 5.30 -0.12 0.44 -4.83 117.98 119.46 3hty s PHE 86 Ca 0.50 -0.47 -0.02 0.00 -0.05 0.00 0.00 56.93 56.89 3hty s PHE 86 Cb -0.37 -0.86 0.04 0.00 -0.63 0.00 0.00 43.02 41.20 3hty s PHE 86 CO 0.46 0.21 0.02 0.08 -0.05 0.00 0.00 175.22 175.94 3hty s VAL 87 N -1.65 0.37 -0.07 -2.49 1.01 -1.26 -1.88 120.40 114.44 3hty s VAL 87 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3hty s VAL 87 Cb -0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3hty s VAL 87 CO 0.04 0.06 -0.08 -1.81 0.00 0.00 0.00 175.10 173.31 3hty s ASP 88 N 1.96 4.55 0.33 3.32 1.01 0.83 -4.95 116.67 123.71 3hty s ASP 88 Ca 0.03 -0.06 0.09 0.00 0.71 0.00 0.00 52.55 53.32 3hty s ASP 88 Cb -0.14 -1.15 -0.05 0.00 1.01 0.00 0.00 42.92 42.59 3hty s ASP 88 CO -0.06 0.35 -0.01 -0.89 0.21 0.00 0.00 175.17 174.77 3hty s THR 89 N -0.74 2.65 -0.05 -1.27 2.01 -1.26 -0.43 115.64 116.55 3hty s THR 89 Ca 0.11 -2.01 0.05 0.00 0.31 0.00 0.00 61.69 60.15 3hty s THR 89 Cb -0.11 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 3hty s THR 89 CO 0.01 -0.23 -0.20 -1.81 -0.69 0.00 0.00 174.62 171.70 3hty s ASP 91 N -3.69 2.53 -0.38 3.53 1.01 -0.88 -4.90 116.67 113.89 3hty s ASP 91 Ca 0.34 -0.42 -0.22 0.00 0.71 0.00 0.00 52.55 52.96 3hty s ASP 91 Cb -0.01 -0.70 0.01 0.00 1.01 0.00 0.00 42.92 43.23 3hty s ASP 91 CO 0.19 0.19 0.73 -0.63 0.21 0.00 0.00 175.17 175.86 3hty s ILE 92 N -0.04 4.77 -0.10 0.77 1.01 -0.05 -0.95 121.20 126.60 3hty s ILE 92 Ca -0.04 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.29 3hty s ILE 92 Cb -0.12 -4.19 -0.24 0.00 0.01 0.00 0.00 42.46 37.91 3hty s ILE 92 CO 0.03 -0.47 0.43 0.29 0.00 0.00 0.00 174.94 175.22 3hty n LYS 93 N 6.36 0.70 -3.71 2.79 4.76 0.77 -4.94 118.16 124.90 3hty n LYS 93 Ca 0.01 0.25 -0.14 0.00 -2.87 0.00 0.00 58.31 55.57 3hty n LYS 93 Cb 0.48 -1.72 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 3hty n LYS 93 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3hty s ARG 94 N -2.57 0.59 -0.16 1.97 3.52 -1.10 -4.97 118.95 116.23 3hty s ARG 94 Ca -0.15 0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.94 3hty s ARG 94 Cb 0.07 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.82 3hty s ARG 94 CO 0.78 -0.09 0.21 -1.17 -0.81 0.00 0.00 175.30 174.22 3hty s LEU 95 N -0.00 -0.11 0.00 -0.88 2.96 -1.26 -1.01 118.68 118.38 3hty s LEU 95 Ca -0.02 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3hty s LEU 95 Cb -0.03 0.38 -0.01 0.00 0.50 0.00 0.00 46.19 47.03 3hty s LEU 95 CO 0.02 -0.29 0.08 0.35 -1.32 0.00 0.00 176.35 175.18 3hty n THR 96 N 5.32 0.00 0.26 3.68 -2.24 0.19 -4.67 114.28 116.82 3hty n THR 96 Ca -0.05 -1.42 0.08 0.00 -2.27 0.00 0.00 64.05 60.39 3hty n THR 96 Cb 0.50 0.49 0.64 0.00 -2.10 0.00 0.00 70.33 69.86 3hty n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hty h ALA 97 N 1.39 1.85 0.00 6.98 0.00 -1.94 -3.28 119.26 124.25 3hty h ALA 97 Ca -0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3hty h ALA 97 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3hty h ALA 97 CO 0.31 0.06 -1.41 -0.25 0.00 0.00 0.00 179.25 177.96 3hty n ASP 98 N -4.38 3.11 -4.20 0.00 8.00 -1.26 -4.82 116.55 113.01 3hty n ASP 98 Ca -0.03 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.28 3hty n ASP 98 Cb 0.13 1.22 -0.12 0.00 -0.02 0.00 0.00 41.12 42.33 3hty n ASP 98 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hty s SER 99 N -3.18 1.82 -0.07 -2.24 1.04 -1.24 -0.19 113.70 109.65 3hty s SER 99 Ca -0.03 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 3hty s SER 99 Cb 0.05 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.13 3hty s SER 99 CO 0.34 -0.08 0.01 -0.22 0.98 0.00 0.00 173.24 174.27 3hty s LEU 100 N -1.89 0.56 -0.16 2.42 2.96 -0.78 -0.64 118.68 121.15 3hty s LEU 100 Ca 0.01 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3hty s LEU 100 Cb -0.09 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.21 3hty s LEU 100 CO 0.03 -0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.99 3hty s VAL 101 N 1.95 2.42 0.18 1.68 1.01 -0.18 -0.28 120.40 127.19 3hty s VAL 101 Ca 0.04 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.28 3hty s VAL 101 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3hty s VAL 101 CO -0.05 0.53 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 3hty s LEU 102 N 0.90 2.70 -0.14 3.92 1.43 -0.02 -0.16 118.68 127.32 3hty s LEU 102 Ca -0.04 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3hty s LEU 102 Cb -0.15 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3hty s LEU 102 CO -0.02 0.12 -0.16 -0.62 0.23 0.00 0.00 176.35 175.90 3hty s ASP 103 N -2.68 3.70 -0.43 2.29 -1.08 -0.13 -0.86 116.67 117.48 3hty s ASP 103 Ca 0.22 -0.43 0.03 0.00 -0.52 0.00 0.00 52.55 51.85 3hty s ASP 103 Cb -0.09 -1.56 0.12 0.00 -1.46 0.00 0.00 42.92 39.94 3hty s ASP 103 CO 0.12 0.13 0.18 0.21 0.52 0.00 0.00 175.17 176.33 3hty s ASN 104 N 0.56 4.25 -1.52 -0.34 3.84 -1.26 -2.06 114.94 118.41 3hty s ASN 104 Ca -0.10 -2.55 -0.14 0.00 0.21 0.00 0.00 52.86 50.29 3hty s ASN 104 Cb -0.16 -1.42 0.09 0.00 -0.55 0.00 0.00 41.25 39.22 3hty s ASN 104 CO 0.04 -0.30 0.85 0.00 -2.79 0.00 0.00 177.10 174.89 3hty n GLN 105 N 3.70 -4.70 -0.10 0.43 1.13 -1.26 -4.79 117.38 111.80 3hty n GLN 105 Ca 0.05 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.66 3hty n GLN 105 Cb 0.36 -5.38 0.00 0.00 0.11 0.00 0.00 30.24 25.33 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hty n GLY 106 N -1.54 0.84 3.43 1.08 0.00 -1.26 -5.26 105.19 102.48 3hty n GLY 106 Ca 0.03 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 3hty n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hty s GLU 108 N -2.06 0.55 -0.23 1.61 2.12 -1.26 -5.11 118.70 114.30 3hty s GLU 108 Ca 0.00 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.24 3hty s GLU 108 Cb 0.00 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.53 3hty s GLU 108 CO 0.00 -0.13 -0.11 0.42 -0.54 0.00 0.00 175.26 174.90 3hty s ILE 109 N 1.19 2.51 -0.31 -3.70 1.01 -0.04 -4.99 121.20 116.88 3hty s ILE 109 Ca -0.07 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 3hty s ILE 109 Cb -0.06 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.15 3hty s ILE 109 CO -0.12 0.22 0.09 -0.13 0.00 0.00 0.00 174.94 175.01 3hty s ARG 110 N 1.26 3.01 0.02 2.79 3.00 -1.26 -0.84 118.95 126.93 3hty s ARG 110 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 55.73 54.81 3hty s ARG 110 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 34.95 31.34 3hty s ARG 110 CO -0.07 -0.49 0.10 0.71 0.00 0.00 0.00 175.30 175.55 3hty s TYR 111 N 1.49 3.30 -0.05 -0.53 2.02 0.62 -4.53 117.35 119.67 3hty s TYR 111 Ca 0.02 0.19 -0.00 0.00 -0.37 0.00 0.00 57.07 56.91 3hty s TYR 111 Cb -0.18 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 3hty s TYR 111 CO 0.03 0.55 0.01 0.00 -1.57 0.00 0.00 175.55 174.57 3hty s ALA 112 N -1.26 3.31 0.26 3.71 0.00 0.18 -1.87 121.76 126.10 3hty s ALA 112 Ca 0.25 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 3hty s ALA 112 Cb -0.12 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.47 3hty s ALA 112 CO 0.17 0.62 1.07 0.21 0.00 0.00 0.00 175.76 177.83 3hty s LYS 113 N -1.22 4.67 -0.03 0.00 2.20 0.74 -1.69 119.74 124.40 3hty s LYS 113 Ca 0.17 1.74 0.07 0.00 -0.36 0.00 0.00 55.97 57.59 3hty s LYS 113 Cb -0.11 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 3hty s LYS 113 CO 0.06 0.25 -0.24 -1.14 -0.36 0.00 0.00 175.35 173.93 3hty s GLN 114 N -1.30 2.15 0.00 4.03 0.74 -0.12 -4.96 119.66 120.21 3hty s GLN 114 Ca 0.44 -0.86 0.12 0.00 0.05 0.00 0.00 55.36 55.12 3hty s GLN 114 Cb -0.31 -1.96 0.73 0.00 1.10 0.00 0.00 33.01 32.57 3hty s GLN 114 CO 0.39 0.45 1.16 0.36 -0.55 0.00 0.00 175.29 177.10