#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 6.45 0.01 0.00 0.15 -1.26 -4.92 113.70 114.13 3hty s SER 24 Ca 0.00 0.49 0.24 0.00 0.70 0.00 0.00 55.95 57.38 3hty s SER 24 Cb 0.00 -2.06 1.03 0.00 -1.71 0.00 0.00 66.02 63.28 3hty s SER 24 CO 0.00 0.24 1.78 0.00 1.20 0.00 0.00 173.24 176.46 3hty n ILE 25 N 0.96 0.34 -2.00 6.45 3.06 -1.26 -4.81 119.36 122.10 3hty n ILE 25 Ca -0.10 0.07 -0.42 0.00 -2.50 0.00 0.00 62.75 59.79 3hty n ILE 25 Cb 0.53 -0.67 -0.03 0.00 0.54 0.00 0.00 39.64 40.01 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 -3.01 3.08 -5.00 9.51 1.01 -1.26 -4.83 120.40 119.90 3hty s VAL 26 Ca 0.12 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3hty s VAL 26 Cb 0.16 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3hty s VAL 26 CO 0.45 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3hty n GLY 27 N 3.83 -0.08 3.43 4.51 0.00 -1.26 -5.03 105.19 110.59 3hty n GLY 27 Ca 0.14 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.00 4.74 -0.18 1.61 0.01 -1.26 -4.42 113.70 110.20 3hty s SER 28 Ca 0.00 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 3hty s SER 28 Cb 0.00 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.43 3hty s SER 28 CO 0.00 0.07 -0.13 0.26 0.41 0.00 0.00 173.24 173.85 3hty s TRP 29 N 0.97 2.84 0.12 2.43 0.52 -0.29 -0.21 118.94 125.32 3hty s TRP 29 Ca 0.01 -1.18 0.04 0.00 0.02 0.00 0.00 56.10 54.98 3hty s TRP 29 Cb -0.14 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 3hty s TRP 29 CO 0.01 -0.59 -0.09 0.14 0.02 0.00 0.00 176.95 176.44 3hty s VAL 30 N 1.16 0.99 0.09 4.03 -7.23 -0.40 -0.95 120.40 118.09 3hty s VAL 30 Ca 0.01 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 3hty s VAL 30 Cb -0.14 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 3hty s VAL 30 CO -0.05 -0.73 0.08 -1.83 -0.31 0.00 0.00 175.10 172.26 3hty s GLU 31 N -3.51 0.80 0.49 4.82 -1.05 0.43 -1.37 118.70 119.32 3hty s GLU 31 Ca 0.12 -1.20 -0.23 0.00 -0.15 0.00 0.00 54.97 53.51 3hty s GLU 31 Cb 0.02 0.27 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 3hty s GLU 31 CO -0.01 -0.22 1.26 -2.14 0.95 0.00 0.00 175.26 175.10 3hty s PRO 32 N -3.94 3.54 -0.21 -4.83 0.02 -1.26 -0.81 135.00 127.51 3hty s PRO 32 Ca 0.12 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.85 3hty s PRO 32 Cb 0.07 -2.39 -0.00 0.00 0.02 0.00 0.00 34.50 32.20 3hty s PRO 32 CO -0.06 -0.80 1.16 0.08 -0.33 0.00 0.00 177.00 177.04 3hty s VAL 33 N -1.42 4.46 0.14 3.83 1.01 -0.16 -4.75 120.40 123.52 3hty s VAL 33 Ca 0.66 1.76 -0.35 0.00 0.00 0.00 0.00 61.98 64.05 3hty s VAL 33 Cb -0.34 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.72 3hty s VAL 33 CO 0.42 -0.19 1.51 -2.65 0.00 0.00 0.00 175.10 174.18 3hty n PRO 34 N 6.54 1.85 -0.23 2.72 -0.02 -1.26 -1.78 135.00 142.82 3hty n PRO 34 Ca 0.13 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3hty n PRO 34 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.15 2.01 2.83 -1.23 0.00 -1.26 -4.95 105.19 105.74 3hty n GLY 35 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 3.32 0.31 0.99 1.43 -0.73 -5.11 118.68 118.88 3hty s LEU 36 Ca 0.00 -2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 50.57 3hty s LEU 36 Cb 0.00 -1.22 -0.11 0.00 0.03 0.00 0.00 46.19 44.89 3hty s LEU 36 CO 0.00 -0.34 1.44 -0.70 0.23 0.00 0.00 176.35 176.98 3hty s GLU 37 N 0.82 4.23 0.00 1.70 2.12 -1.26 -2.86 118.70 123.45 3hty s GLU 37 Ca 0.13 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.85 3hty s GLU 37 Cb -0.21 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3hty s GLU 37 CO -0.10 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 3hty n GLY 38 N 1.43 0.76 3.61 -1.50 0.00 -1.26 -5.04 105.19 103.20 3hty n GLY 38 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.09 2.41 0.17 1.61 -1.52 -1.13 -5.05 119.66 116.05 3hty s GLN 39 Ca 0.00 -0.85 0.08 0.00 -1.95 0.00 0.00 55.36 52.64 3hty s GLN 39 Cb 0.00 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 3hty s GLN 39 CO 0.00 0.55 -0.17 0.14 -0.25 0.00 0.00 175.29 175.56 3hty s VAL 40 N -1.15 1.79 0.08 1.09 -7.23 -1.26 -0.99 120.40 112.73 3hty s VAL 40 Ca 0.21 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 3hty s VAL 40 Cb -0.11 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3hty s VAL 40 CO 0.12 -0.36 0.15 0.00 -0.31 0.00 0.00 175.10 174.70 3hty s GLN 41 N -2.91 0.78 0.00 4.82 -2.07 0.01 -4.72 119.66 115.58 3hty s GLN 41 Ca 0.16 -0.97 0.00 0.00 -1.82 0.00 0.00 55.36 52.74 3hty s GLN 41 Cb -0.05 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 3hty s GLN 41 CO 0.06 -0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 3hty n GLY 42 N 0.06 -0.68 2.88 2.60 0.00 0.13 -0.43 105.19 109.75 3hty n GLY 42 Ca -0.15 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 3hty n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hty s ILE 43 N -3.92 0.26 0.58 -0.61 1.01 -0.13 0.48 121.20 118.87 3hty s ILE 43 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.68 3hty s ILE 43 Cb 0.00 -0.29 0.08 0.00 0.01 0.00 0.00 42.46 42.26 3hty s ILE 43 CO 0.00 0.12 0.65 -0.75 0.00 0.00 0.00 174.94 174.96 3hty s LYS 44 N 0.47 2.24 -0.22 2.79 2.20 0.29 -1.14 119.74 126.37 3hty s LYS 44 Ca -0.05 -1.85 -0.35 0.00 -0.36 0.00 0.00 55.97 53.37 3hty s LYS 44 Cb -0.08 -2.40 0.15 0.00 -1.51 0.00 0.00 37.83 33.99 3hty s LYS 44 CO -0.01 -0.83 1.26 -1.21 -0.36 0.00 0.00 175.35 174.20 3hty s GLU 46 N -4.54 0.23 0.34 4.03 2.02 -0.26 -1.12 118.70 119.40 3hty s GLU 46 Ca 0.50 -0.06 -0.29 0.00 0.02 0.00 0.00 54.97 55.15 3hty s GLU 46 Cb -0.04 0.11 -0.11 0.00 0.10 0.00 0.00 34.13 34.18 3hty s GLU 46 CO 0.32 -0.09 1.50 0.39 0.02 0.00 0.00 175.26 177.39 3hty n GLU 47 N 0.08 2.60 0.00 1.61 -0.58 -1.26 -1.68 120.64 121.41 3hty n GLU 47 Ca 0.01 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.67 3hty n GLU 47 Cb 0.58 -2.65 0.00 0.00 -0.57 0.00 0.00 31.44 28.80 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 1.09 1.53 0.38 0.62 0.00 -1.26 -4.56 105.19 102.99 3hty n GLY 48 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.87 0.55 3.74 -0.02 0.00 -0.68 -5.05 105.19 101.87 3hty n GLY 49 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.24 3.63 0.08 1.61 1.01 -1.25 -1.00 120.40 122.24 3hty s VAL 50 Ca 0.00 1.37 0.09 0.00 0.00 0.00 0.00 61.98 63.44 3hty s VAL 50 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3hty s VAL 50 CO 0.00 0.21 -0.24 0.00 0.00 0.00 0.00 175.10 175.07 3hty s ALA 51 N -0.01 2.09 0.01 5.51 0.00 -0.86 -1.10 121.76 127.40 3hty s ALA 51 Ca 0.53 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 3hty s ALA 51 Cb -0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 3hty s ALA 51 CO 0.36 0.47 0.07 -1.54 0.00 0.00 0.00 175.76 175.12 3hty s SER 52 N -1.59 0.13 0.29 0.00 1.04 -0.28 -2.78 113.70 110.52 3hty s SER 52 Ca 0.10 -0.37 -0.28 0.00 0.48 0.00 0.00 55.95 55.88 3hty s SER 52 Cb -0.10 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.10 3hty s SER 52 CO 0.04 -0.37 1.03 -0.44 0.98 0.00 0.00 173.24 174.48 3hty s SER 53 N -1.54 7.29 -0.33 7.02 0.01 -1.26 -0.54 113.70 124.34 3hty s SER 53 Ca -0.14 2.10 -0.05 0.00 1.31 0.00 0.00 55.95 59.18 3hty s SER 53 Cb -0.07 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.59 3hty s SER 53 CO -0.00 -0.12 0.08 -0.69 0.41 0.00 0.00 173.24 172.92 3hty s VAL 54 N -1.30 3.56 -0.16 3.43 1.01 0.18 -4.83 120.40 122.28 3hty s VAL 54 Ca 0.46 -1.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 3hty s VAL 54 Cb -0.27 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.11 3hty s VAL 54 CO 0.35 -0.17 0.21 -3.20 0.00 0.00 0.00 175.10 172.28 3hty n ASN 55 N 4.76 -1.51 0.00 3.32 5.15 -1.26 -0.69 115.26 125.02 3hty n ASN 55 Ca -0.12 1.29 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 3hty n ASN 55 Cb 0.44 -4.67 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 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 1.86 2.84 0.04 5.20 0.00 -1.26 -4.71 120.51 124.48 3hty n ALA 57 Ca -0.36 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.12 3hty n ALA 57 Cb 0.56 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 20.04 3hty n ALA 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hty n THR 58 N -2.46 0.89 -3.83 0.00 -1.04 -1.26 -4.88 114.28 101.70 3hty n THR 58 Ca 0.00 -0.64 -0.35 0.00 -2.04 0.00 0.00 64.05 61.02 3hty n THR 58 Cb 0.11 -0.51 -0.08 0.00 -1.82 0.00 0.00 70.33 68.03 3hty n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hty s LEU 59 N -5.47 4.11 -0.50 -4.42 1.43 -1.26 -1.95 118.68 110.62 3hty s LEU 59 Ca -0.03 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3hty s LEU 59 Cb 0.09 -2.05 0.13 0.00 0.03 0.00 0.00 46.19 44.39 3hty s LEU 59 CO 0.82 0.20 0.29 -0.69 0.23 0.00 0.00 176.35 177.20 3hty s VAL 60 N 0.22 3.29 0.50 -1.59 1.01 -0.02 -4.76 120.40 119.06 3hty s VAL 60 Ca 0.07 -2.57 -0.21 0.00 0.00 0.00 0.00 61.98 59.26 3hty s VAL 60 Cb -0.11 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 3hty s VAL 60 CO -0.01 -0.77 1.17 -0.31 0.00 0.00 0.00 175.10 175.18 3hty s TYR 61 N 0.49 2.74 0.00 5.22 2.02 -1.26 -1.14 117.35 125.41 3hty s TYR 61 Ca 0.13 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 3hty s TYR 61 Cb -0.22 -3.38 0.00 0.00 -0.40 0.00 0.00 41.96 37.96 3hty s TYR 61 CO -0.04 -1.66 0.00 0.39 -1.57 0.00 0.00 175.55 172.67 3hty n GLU 62 N -0.86 0.64 -3.83 -0.62 1.02 0.95 -4.24 120.64 113.70 3hty n GLU 62 Ca 0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 3hty n GLU 62 Cb 0.49 -0.74 -0.07 0.00 -0.02 0.00 0.00 31.44 31.10 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 -2.95 0.06 0.05 1.62 1.04 -1.00 -2.03 113.70 110.49 3hty s SER 63 Ca 0.00 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.90 3hty s SER 63 Cb 0.00 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3hty s SER 63 CO 0.00 -0.71 -0.09 -1.66 0.98 0.00 0.00 173.24 171.76 3hty s TRP 64 N -3.60 0.78 -0.07 5.02 1.48 -0.17 -1.54 118.94 120.84 3hty s TRP 64 Ca 0.03 -0.52 -0.06 0.00 -1.06 0.00 0.00 56.10 54.49 3hty s TRP 64 Cb 0.03 -0.46 0.02 0.00 -1.16 0.00 0.00 33.47 31.90 3hty s TRP 64 CO -0.10 -0.06 0.18 0.15 -4.06 0.00 0.00 176.95 173.06 3hty s LYS 65 N -1.74 0.20 -0.18 3.25 3.01 -0.29 -4.66 119.74 119.32 3hty s LYS 65 Ca -0.07 0.27 0.00 0.00 -1.01 0.00 0.00 55.97 55.17 3hty s LYS 65 Cb -0.09 0.07 0.01 0.00 -1.01 0.00 0.00 37.83 36.81 3hty s LYS 65 CO 0.00 -0.04 -0.17 -1.14 0.51 0.00 0.00 175.35 174.51 3hty s GLN 66 N 0.24 3.06 -0.25 1.68 0.74 -1.26 -0.23 119.66 123.64 3hty s GLN 66 Ca -0.01 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.62 3hty s GLN 66 Cb -0.03 -2.63 0.06 0.00 1.10 0.00 0.00 33.01 31.51 3hty s GLN 66 CO -0.01 -0.19 -0.08 -1.21 -0.55 0.00 0.00 175.29 173.25 3hty s GLU 67 N 1.27 1.95 7.77 1.67 2.02 -0.08 -4.97 118.70 128.33 3hty s GLU 67 Ca 0.04 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.85 3hty s GLU 67 Cb -0.13 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3hty s GLU 67 CO -0.10 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.00 3hty n GLY 68 N 4.54 3.36 1.17 -1.39 0.00 -1.26 -0.73 105.19 110.88 3hty n GLY 68 Ca -0.13 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 2.38 -3.68 2.61 -2.24 -1.26 -4.95 114.28 107.13 3hty n THR 69 Ca 0.00 -1.72 -0.37 0.00 -2.27 0.00 0.00 64.05 59.69 3hty n THR 69 Cb 0.00 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 3hty n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hty s LYS 70 N -2.75 3.81 -0.12 -0.78 2.20 0.09 0.21 119.74 122.41 3hty s LYS 70 Ca 0.45 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 3hty s LYS 70 Cb 0.36 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 3hty s LYS 70 CO 0.11 0.61 -0.14 -1.17 -0.36 0.00 0.00 175.35 174.40 3hty s LEU 71 N -0.63 2.70 -0.17 5.43 2.96 -1.26 -0.90 118.68 126.81 3hty s LEU 71 Ca 0.17 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3hty s LEU 71 Cb -0.14 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.97 3hty s LEU 71 CO 0.06 0.19 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.45 3hty s ILE 72 N 0.21 2.09 0.01 6.68 1.09 0.68 -4.35 121.20 127.61 3hty s ILE 72 Ca -0.08 -0.95 0.07 0.00 -1.10 0.00 0.00 60.65 58.59 3hty s ILE 72 Cb -0.15 -1.86 -0.03 0.00 -1.06 0.00 0.00 42.46 39.36 3hty s ILE 72 CO 0.05 0.54 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.47 3hty s LEU 73 N 1.12 2.44 0.11 2.97 1.43 0.57 -1.14 118.68 126.18 3hty s LEU 73 Ca 0.01 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3hty s LEU 73 Cb -0.14 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3hty s LEU 73 CO -0.09 0.28 -0.10 0.42 0.23 0.00 0.00 176.35 177.10 3hty s THR 74 N -0.81 0.95 -2.07 5.49 -4.23 -0.59 -0.57 115.64 113.81 3hty s THR 74 Ca 0.13 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3hty s THR 74 Cb -0.10 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3hty s THR 74 CO 0.03 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 3hty n GLY 75 N 0.36 -0.55 3.08 3.99 0.00 -0.98 -0.04 105.19 111.06 3hty n GLY 75 Ca -0.15 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 3hty n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hty s LYS 76 N -0.83 0.45 0.02 1.61 -2.85 -0.29 -0.27 119.74 117.57 3hty s LYS 76 Ca 0.00 -0.42 0.02 0.00 -1.00 0.00 0.00 55.97 54.57 3hty s LYS 76 Cb 0.00 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 3hty s LYS 76 CO 0.00 -0.10 0.01 -1.54 0.10 0.00 0.00 175.35 173.82 3hty s SER 77 N -1.35 5.19 -0.19 0.03 1.04 -0.29 -0.84 113.70 117.29 3hty s SER 77 Ca -0.14 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 3hty s SER 77 Cb -0.08 -1.36 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 3hty s SER 77 CO 0.01 0.25 -0.02 -0.63 0.98 0.00 0.00 173.24 173.84 3hty s ILE 78 N -1.15 3.82 0.00 -1.02 1.01 -0.82 -1.86 121.20 121.18 3hty s ILE 78 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3hty s ILE 78 Cb -0.12 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.64 3hty s ILE 78 CO 0.13 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3hty n GLY 79 N 4.18 2.79 0.15 6.18 0.00 -0.98 -4.93 105.19 112.58 3hty n GLY 79 Ca -0.17 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 3hty n GLY 79 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3hty h ASN 80 N 0.00 -0.31 0.00 1.61 -1.24 -2.05 -3.41 115.58 110.18 3hty h ASN 80 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3hty h ASN 80 Cb 0.00 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3hty h ASN 80 CO 0.00 -0.13 -0.03 0.61 -1.29 0.00 0.00 177.43 176.59 3hty n GLY 81 N -1.24 -0.14 3.50 1.57 0.00 -1.26 -5.09 105.19 102.52 3hty n GLY 81 Ca -0.04 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.48 3hty n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hty n GLN 82 N -3.47 1.26 -3.33 1.61 -0.00 -1.26 -5.00 117.38 107.20 3hty n GLN 82 Ca 0.00 0.37 -0.38 0.00 -0.00 0.00 0.00 57.00 56.99 3hty n GLN 82 Cb 0.02 -2.53 -0.06 0.00 -0.00 0.00 0.00 30.24 27.67 3hty n GLN 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3hty s THR 83 N 6.89 5.04 -0.05 -0.39 -4.23 -1.26 -2.32 115.64 119.31 3hty s THR 83 Ca 1.07 1.02 0.02 0.00 -1.18 0.00 0.00 61.69 62.61 3hty s THR 83 Cb -0.81 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.23 3hty s THR 83 CO 0.49 0.44 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.29 3hty s ILE 84 N -0.17 0.82 0.56 2.99 -1.09 -0.78 -4.96 121.20 118.57 3hty s ILE 84 Ca 0.27 -0.29 -0.18 0.00 -2.23 0.00 0.00 60.65 58.21 3hty s ILE 84 Cb -0.17 -0.79 -0.05 0.00 -1.58 0.00 0.00 42.46 39.88 3hty s ILE 84 CO 0.13 0.29 1.10 -1.61 -1.23 0.00 0.00 174.94 173.62 3hty s GLU 85 N 0.79 3.34 0.05 2.79 0.41 -1.26 -1.13 118.70 123.68 3hty s GLU 85 Ca -0.13 1.47 -0.01 0.00 -0.41 0.00 0.00 54.97 55.89 3hty s GLU 85 Cb -0.15 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 3hty s GLU 85 CO 0.02 -0.83 -0.02 -0.59 -0.49 0.00 0.00 175.26 173.35 3hty s PHE 86 N -2.01 0.47 -0.07 1.61 -0.12 0.62 -4.90 117.98 113.59 3hty s PHE 86 Ca 0.69 -0.98 -0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3hty s PHE 86 Cb -0.21 -0.35 0.03 0.00 -0.63 0.00 0.00 43.02 41.86 3hty s PHE 86 CO 0.29 -0.37 -0.01 0.08 -0.05 0.00 0.00 175.22 175.17 3hty s VAL 87 N -3.63 0.44 -0.05 -2.49 1.01 -1.26 -2.31 120.40 112.10 3hty s VAL 87 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3hty s VAL 87 Cb 0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 3hty s VAL 87 CO -0.09 0.26 -0.21 -1.81 0.00 0.00 0.00 175.10 173.25 3hty s ASP 88 N 1.81 3.39 0.29 3.32 1.01 0.26 -4.99 116.67 121.76 3hty s ASP 88 Ca 0.03 -0.41 0.12 0.00 0.71 0.00 0.00 52.55 53.00 3hty s ASP 88 Cb -0.13 -0.81 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 3hty s ASP 88 CO -0.05 0.28 -0.17 -0.89 0.21 0.00 0.00 175.17 174.55 3hty s THR 89 N -0.35 2.53 -0.07 -1.27 2.01 -1.26 -0.32 115.64 116.92 3hty s THR 89 Ca 0.02 -2.35 0.05 0.00 0.31 0.00 0.00 61.69 59.72 3hty s THR 89 Cb -0.12 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.01 3hty s THR 89 CO 0.02 -0.38 -0.23 -1.81 -0.69 0.00 0.00 174.62 171.54 3hty s ASP 91 N -3.53 2.83 -0.31 3.53 1.01 0.31 -4.71 116.67 115.80 3hty s ASP 91 Ca 0.30 -0.49 -0.26 0.00 0.71 0.00 0.00 52.55 52.82 3hty s ASP 91 Cb -0.04 -0.98 0.01 0.00 1.01 0.00 0.00 42.92 42.91 3hty s ASP 91 CO 0.16 0.19 0.91 -0.63 0.21 0.00 0.00 175.17 176.01 3hty s ILE 92 N 0.09 4.67 -0.12 0.77 1.01 0.13 -0.32 121.20 127.43 3hty s ILE 92 Ca -0.09 1.42 0.19 0.00 0.00 0.00 0.00 60.65 62.17 3hty s ILE 92 Cb -0.15 -4.27 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 3hty s ILE 92 CO 0.05 -0.35 0.46 0.29 0.00 0.00 0.00 174.94 175.39 3hty n LYS 93 N 6.49 0.66 -3.69 2.79 4.76 0.21 -4.90 118.16 124.48 3hty n LYS 93 Ca 0.07 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 3hty n LYS 93 Cb 0.48 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.97 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 -3.02 0.61 -0.26 1.97 3.52 -1.13 -4.94 118.95 115.69 3hty s ARG 94 Ca -0.07 0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 56.32 3hty s ARG 94 Cb 0.10 0.26 0.14 0.00 -1.56 0.00 0.00 34.95 33.89 3hty s ARG 94 CO 0.85 -0.09 0.39 -1.17 -0.81 0.00 0.00 175.30 174.47 3hty s LEU 95 N 0.52 -0.69 0.00 -0.88 2.96 -1.25 -1.38 118.68 117.96 3hty s LEU 95 Ca -0.02 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3hty s LEU 95 Cb -0.04 1.10 -0.00 0.00 0.50 0.00 0.00 46.19 47.75 3hty s LEU 95 CO -0.02 -0.32 0.03 0.35 -1.32 0.00 0.00 176.35 175.06 3hty n THR 96 N 5.36 0.00 0.29 3.68 -2.24 -0.27 -4.67 114.28 116.43 3hty n THR 96 Ca -0.02 -0.78 0.15 0.00 -2.27 0.00 0.00 64.05 61.13 3hty n THR 96 Cb 0.50 0.23 0.88 0.00 -2.10 0.00 0.00 70.33 69.83 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 1.16 1.40 0.00 6.98 0.00 -1.95 -3.26 119.26 123.60 3hty h ALA 97 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hty h ALA 97 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hty h ALA 97 CO 0.19 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 3hty n ASP 98 N -3.71 0.58 -3.80 0.00 8.00 -1.26 -4.74 116.55 111.62 3hty n ASP 98 Ca -0.03 -0.85 -0.13 0.00 0.71 0.00 0.00 54.79 54.50 3hty n ASP 98 Cb 0.13 0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 41.28 3hty n ASP 98 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hty s SER 99 N -0.19 -0.07 -0.16 -2.24 0.15 -1.23 -1.42 113.70 108.54 3hty s SER 99 Ca 0.00 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 3hty s SER 99 Cb 0.00 0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 3hty s SER 99 CO 0.00 -0.08 -0.00 -0.22 1.20 0.00 0.00 173.24 174.13 3hty s LEU 100 N 0.57 1.21 -0.14 3.45 2.96 -0.55 -1.11 118.68 125.06 3hty s LEU 100 Ca -0.04 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.26 3hty s LEU 100 Cb -0.06 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 3hty s LEU 100 CO -0.02 -0.24 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.97 3hty s VAL 101 N 1.80 3.24 0.09 1.68 1.01 -0.48 -0.13 120.40 127.62 3hty s VAL 101 Ca 0.01 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3hty s VAL 101 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3hty s VAL 101 CO -0.07 0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 174.61 3hty s LEU 102 N 0.37 2.30 -0.14 3.92 1.43 0.43 -0.62 118.68 126.38 3hty s LEU 102 Ca -0.09 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 3hty s LEU 102 Cb -0.16 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.36 3hty s LEU 102 CO 0.05 -0.01 -0.15 -0.62 0.23 0.00 0.00 176.35 175.85 3hty s ASP 103 N -1.90 2.66 -0.53 2.29 -1.08 0.56 -0.10 116.67 118.57 3hty s ASP 103 Ca 0.04 -0.48 -0.01 0.00 -0.52 0.00 0.00 52.55 51.57 3hty s ASP 103 Cb -0.10 -1.18 0.14 0.00 -1.46 0.00 0.00 42.92 40.33 3hty s ASP 103 CO 0.03 -0.04 0.32 0.21 0.52 0.00 0.00 175.17 176.22 3hty s ASN 104 N 1.37 5.07 -1.52 -0.34 3.84 -1.26 -0.53 114.94 121.57 3hty s ASN 104 Ca 0.02 -2.60 -0.01 0.00 0.21 0.00 0.00 52.86 50.48 3hty s ASN 104 Cb -0.13 -1.80 0.00 0.00 -0.55 0.00 0.00 41.25 38.77 3hty s ASN 104 CO -0.09 -0.40 0.08 0.00 -2.79 0.00 0.00 177.10 173.90 3hty n GLN 105 N 3.79 -1.26 0.00 0.43 6.02 -1.26 -4.78 117.38 120.32 3hty n GLN 105 Ca 0.04 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3hty n GLN 105 Cb 0.38 -3.69 0.00 0.00 1.02 0.00 0.00 30.24 27.95 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hty n GLY 106 N -2.49 0.74 3.63 1.08 0.00 -1.26 -5.24 105.19 101.66 3hty n GLY 106 Ca -0.32 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.07 0.62 -0.11 1.61 2.12 -1.26 -5.08 118.70 115.52 3hty s GLU 108 Ca 0.00 1.27 0.01 0.00 0.36 0.00 0.00 54.97 56.62 3hty s GLU 108 Cb 0.00 0.47 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 3hty s GLU 108 CO 0.00 -0.17 -0.15 0.42 -0.54 0.00 0.00 175.26 174.82 3hty s ILE 109 N 2.21 2.90 -0.25 -3.70 1.09 0.86 -4.97 121.20 119.34 3hty s ILE 109 Ca -0.08 -0.73 -0.02 0.00 -1.10 0.00 0.00 60.65 58.72 3hty s ILE 109 Cb -0.08 -2.19 0.02 0.00 -1.06 0.00 0.00 42.46 39.16 3hty s ILE 109 CO -0.19 0.54 -0.06 -0.13 -0.10 0.00 0.00 174.94 175.00 3hty s ARG 110 N 0.16 2.87 0.15 2.79 0.52 -1.26 -0.43 118.95 123.75 3hty s ARG 110 Ca -0.08 -0.95 0.08 0.00 -0.52 0.00 0.00 55.73 54.25 3hty s ARG 110 Cb -0.15 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 3hty s ARG 110 CO 0.05 -0.39 -0.06 0.71 0.02 0.00 0.00 175.30 175.64 3hty s TYR 111 N 1.33 2.76 0.01 -0.53 2.02 0.81 -4.70 117.35 119.05 3hty s TYR 111 Ca 0.01 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 3hty s TYR 111 Cb -0.16 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 3hty s TYR 111 CO -0.04 0.49 -0.15 0.00 -1.57 0.00 0.00 175.55 174.27 3hty s ALA 112 N -1.57 2.66 0.09 3.71 0.00 -0.47 -1.49 121.76 124.70 3hty s ALA 112 Ca 0.25 -1.10 -0.31 0.00 0.00 0.00 0.00 51.96 50.80 3hty s ALA 112 Cb -0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.10 3hty s ALA 112 CO 0.16 0.57 1.28 0.21 0.00 0.00 0.00 175.76 177.99 3hty s LYS 113 N -1.21 4.38 0.00 0.00 2.47 -0.50 -1.28 119.74 123.60 3hty s LYS 113 Ca 0.14 1.91 0.29 0.00 -1.56 0.00 0.00 55.97 56.75 3hty s LYS 113 Cb -0.11 -3.30 1.74 0.00 -1.46 0.00 0.00 37.83 34.70 3hty s LYS 113 CO 0.04 -0.34 2.07 0.94 0.16 0.00 0.00 175.35 178.23