#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hty s ALA 23 N 0.00 2.55 0.17 4.61 0.00 -1.26 -5.03 121.76 122.80 3hty s ALA 23 Ca 0.00 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 3hty s ALA 23 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 3hty s ALA 23 CO 0.00 -1.09 0.63 0.45 0.00 0.00 0.00 175.76 175.75 3hty s SER 24 N -1.99 6.98 0.14 0.00 0.15 -1.26 -4.87 113.70 112.85 3hty s SER 24 Ca 0.72 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.90 3hty s SER 24 Cb -0.25 -2.36 0.95 0.00 -1.71 0.00 0.00 66.02 62.66 3hty s SER 24 CO 0.34 0.11 1.80 0.00 1.20 0.00 0.00 173.24 176.68 3hty n ILE 25 N 0.94 0.46 -2.03 6.45 3.06 -1.26 -4.79 119.36 122.19 3hty n ILE 25 Ca -0.05 -0.11 -0.42 0.00 -2.50 0.00 0.00 62.75 59.67 3hty n ILE 25 Cb 0.51 -0.64 -0.03 0.00 0.54 0.00 0.00 39.64 40.02 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 -3.09 3.47 -5.00 9.51 1.01 -1.26 -4.82 120.40 120.22 3hty s VAL 26 Ca 0.11 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3hty s VAL 26 Cb 0.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3hty s VAL 26 CO 0.53 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3hty n GLY 27 N 3.99 -0.85 3.53 4.51 0.00 -1.26 -5.05 105.19 110.07 3hty n GLY 27 Ca 0.16 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.39 5.27 -0.20 1.61 0.01 -1.26 -4.46 113.70 111.27 3hty s SER 28 Ca 0.00 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 3hty s SER 28 Cb 0.00 -1.91 -0.00 0.00 0.21 0.00 0.00 66.02 64.31 3hty s SER 28 CO 0.00 0.09 -0.09 0.26 0.41 0.00 0.00 173.24 173.91 3hty s TRP 29 N 0.89 2.90 0.17 2.43 0.52 -0.21 -0.34 118.94 125.30 3hty s TRP 29 Ca 0.03 -1.07 0.01 0.00 0.02 0.00 0.00 56.10 55.09 3hty s TRP 29 Cb -0.14 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 3hty s TRP 29 CO 0.02 -0.57 0.03 0.14 0.02 0.00 0.00 176.95 176.60 3hty s VAL 30 N 1.31 0.44 0.06 4.03 -7.23 0.32 -1.15 120.40 118.18 3hty s VAL 30 Ca 0.04 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3hty s VAL 30 Cb -0.14 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3hty s VAL 30 CO -0.05 -0.42 -0.05 -1.83 -0.31 0.00 0.00 175.10 172.45 3hty s GLU 31 N -3.98 0.64 0.63 4.82 -1.05 0.17 -1.16 118.70 118.77 3hty s GLU 31 Ca 0.26 -1.13 -0.19 0.00 -0.15 0.00 0.00 54.97 53.76 3hty s GLU 31 Cb 0.07 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.75 3hty s GLU 31 CO 0.04 -0.06 1.31 -2.14 0.95 0.00 0.00 175.26 175.37 3hty s PRO 32 N -3.33 2.64 -0.35 -4.83 0.02 -1.26 -0.51 135.00 127.37 3hty s PRO 32 Ca 0.04 2.10 -0.20 0.00 0.02 0.00 0.00 61.00 62.96 3hty s PRO 32 Cb 0.03 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3hty s PRO 32 CO -0.06 -1.54 0.64 0.08 -0.33 0.00 0.00 177.00 175.78 3hty s VAL 33 N -1.37 4.89 0.16 3.83 1.01 -0.72 -4.62 120.40 123.58 3hty s VAL 33 Ca 0.81 0.61 -0.34 0.00 0.00 0.00 0.00 61.98 63.06 3hty s VAL 33 Cb -0.38 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 31.79 3hty s VAL 33 CO 0.41 -0.30 1.60 -2.65 0.00 0.00 0.00 175.10 174.16 3hty n PRO 34 N 6.04 2.22 -0.96 2.72 -0.02 -1.26 -2.11 135.00 141.63 3hty n PRO 34 Ca -0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3hty n PRO 34 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.49 0.41 2.87 -1.23 0.00 -1.26 -4.98 105.19 104.50 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 3.06 0.41 0.99 1.43 -0.90 -5.11 118.68 118.57 3hty s LEU 36 Ca 0.00 -1.68 -0.26 0.00 -1.03 0.00 0.00 54.13 51.16 3hty s LEU 36 Cb 0.00 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 44.97 3hty s LEU 36 CO 0.00 -0.36 1.37 -0.70 0.23 0.00 0.00 176.35 176.89 3hty s GLU 37 N 1.35 3.91 -0.43 1.70 2.12 -1.26 -2.95 118.70 123.13 3hty s GLU 37 Ca 0.06 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.70 3hty s GLU 37 Cb -0.18 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.44 3hty s GLU 37 CO -0.15 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 3hty n GLY 38 N 0.62 0.69 3.03 -1.50 0.00 -1.26 -5.03 105.19 101.75 3hty n GLY 38 Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.91 0.82 0.29 1.61 -0.21 -1.15 -5.11 119.66 113.99 3hty s GLN 39 Ca 0.00 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 55.08 3hty s GLN 39 Cb 0.00 -0.79 -0.06 0.00 1.00 0.00 0.00 33.01 33.16 3hty s GLN 39 CO 0.00 0.20 0.02 0.14 -2.12 0.00 0.00 175.29 173.53 3hty s VAL 40 N -0.19 1.26 0.01 1.09 -7.23 -1.26 -1.76 120.40 112.32 3hty s VAL 40 Ca 0.03 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 3hty s VAL 40 Cb -0.04 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.30 3hty s VAL 40 CO -0.00 -0.14 0.22 0.00 -0.31 0.00 0.00 175.10 174.86 3hty s GLN 41 N -3.85 0.62 0.00 4.82 -2.07 0.33 -4.62 119.66 114.89 3hty s GLN 41 Ca 0.33 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.48 3hty s GLN 41 Cb 0.07 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 3hty s GLN 41 CO 0.13 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.34 3hty n GLY 42 N 1.16 -0.59 2.99 2.60 0.00 -0.72 -0.66 105.19 109.97 3hty n GLY 42 Ca -0.21 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.78 1.04 0.36 -0.61 1.01 -0.30 -0.15 121.20 118.77 3hty s ILE 43 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3hty s ILE 43 Cb 0.00 -0.97 0.06 0.00 0.01 0.00 0.00 42.46 41.56 3hty s ILE 43 CO 0.00 0.34 0.49 1.17 0.00 0.00 0.00 174.94 176.94 3hty n LYS 44 N 4.00 0.69 -3.61 2.79 4.81 0.11 -1.04 118.16 125.92 3hty n LYS 44 Ca -0.22 -1.82 -0.01 0.00 -0.87 0.00 0.00 58.31 55.39 3hty n LYS 44 Cb 0.51 -0.17 -0.01 0.00 0.02 0.00 0.00 35.03 35.38 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 -3.61 0.19 0.51 1.64 2.02 0.22 -0.98 118.70 118.69 3hty s GLU 46 Ca 0.37 -0.09 -0.22 0.00 0.02 0.00 0.00 54.97 55.04 3hty s GLU 46 Cb -0.03 0.08 -0.07 0.00 0.10 0.00 0.00 34.13 34.21 3hty s GLU 46 CO 0.23 -0.09 1.24 0.39 0.02 0.00 0.00 175.26 177.05 3hty n GLU 47 N -0.25 1.59 -0.36 1.61 -0.58 -1.26 -2.53 120.64 118.85 3hty n GLU 47 Ca -0.03 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 3hty n GLU 47 Cb 0.60 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 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 0.90 0.82 2.26 0.62 0.00 -1.26 -4.20 105.19 104.34 3hty n GLY 48 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.87 3.71 -0.02 0.00 -1.05 -5.02 105.19 101.68 3hty n GLY 49 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.43 3.82 0.08 1.61 1.01 -1.24 -0.66 120.40 121.59 3hty s VAL 50 Ca 0.00 1.31 0.08 0.00 0.00 0.00 0.00 61.98 63.37 3hty s VAL 50 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hty s VAL 50 CO 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 175.10 175.00 3hty s ALA 51 N 1.07 2.58 0.02 5.51 0.00 -0.83 -0.61 121.76 129.51 3hty s ALA 51 Ca 0.60 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 3hty s ALA 51 Cb -0.32 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 3hty s ALA 51 CO 0.29 0.57 0.13 -1.54 0.00 0.00 0.00 175.76 175.22 3hty s SER 52 N -1.78 0.06 0.24 0.00 1.04 -0.15 -2.89 113.70 110.22 3hty s SER 52 Ca 0.16 -0.31 -0.30 0.00 0.48 0.00 0.00 55.95 55.98 3hty s SER 52 Cb -0.10 0.22 -0.09 0.00 0.10 0.00 0.00 66.02 66.15 3hty s SER 52 CO 0.07 -0.43 1.13 -0.44 0.98 0.00 0.00 173.24 174.55 3hty s SER 53 N -1.66 7.22 -0.35 7.02 0.01 -1.26 -0.71 113.70 123.97 3hty s SER 53 Ca -0.11 2.24 -0.10 0.00 1.31 0.00 0.00 55.95 59.29 3hty s SER 53 Cb -0.05 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.58 3hty s SER 53 CO -0.01 -0.22 0.17 -0.69 0.41 0.00 0.00 173.24 172.91 3hty s VAL 54 N -0.76 4.46 -0.39 3.43 1.01 0.79 -4.86 120.40 124.08 3hty s VAL 54 Ca 0.47 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 3hty s VAL 54 Cb -0.32 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3hty s VAL 54 CO 0.39 -0.13 0.47 -3.20 0.00 0.00 0.00 175.10 172.63 3hty n ASN 55 N 4.97 -7.44 0.00 3.32 5.15 -1.26 -1.76 115.26 118.23 3hty n ASN 55 Ca -0.13 0.56 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 3hty n ASN 55 Cb 0.47 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.25 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 -0.00 1.20 0.07 5.20 0.00 -1.26 -4.74 120.51 120.98 3hty n ALA 57 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 3hty n ALA 57 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 3hty n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hty h THR 58 N 0.00 1.40 -3.12 0.00 2.02 -1.96 -3.43 112.91 107.82 3hty h THR 58 Ca 0.00 -2.47 -0.62 0.00 0.77 0.00 0.00 66.41 64.10 3hty h THR 58 Cb 0.00 2.44 -0.10 0.00 -1.74 0.00 0.00 68.15 68.75 3hty h THR 58 CO 0.00 0.74 -0.46 -0.76 0.37 0.00 0.00 175.52 175.41 3hty s LEU 59 N -7.71 4.27 -0.40 2.58 1.43 -1.26 -0.78 118.68 116.81 3hty s LEU 59 Ca -0.06 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 3hty s LEU 59 Cb 0.09 -2.14 0.11 0.00 0.03 0.00 0.00 46.19 44.28 3hty s LEU 59 CO 0.87 0.23 0.12 -0.69 0.23 0.00 0.00 176.35 177.11 3hty s VAL 60 N 0.00 2.28 0.44 -1.59 1.01 0.75 -4.79 120.40 118.51 3hty s VAL 60 Ca 0.11 -2.62 -0.22 0.00 0.00 0.00 0.00 61.98 59.25 3hty s VAL 60 Cb -0.12 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 3hty s VAL 60 CO 0.01 -0.68 1.07 -0.31 0.00 0.00 0.00 175.10 175.20 3hty s TYR 61 N 0.54 3.08 0.00 5.22 2.02 -1.26 -0.80 117.35 126.14 3hty s TYR 61 Ca 0.13 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 3hty s TYR 61 Cb -0.21 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 3hty s TYR 61 CO -0.06 -0.92 0.00 0.39 -1.57 0.00 0.00 175.55 173.39 3hty n GLU 62 N -0.48 0.74 -3.76 -0.62 1.02 0.32 -4.15 120.64 113.71 3hty n GLU 62 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 3hty n GLU 62 Cb 0.50 -0.70 -0.06 0.00 -0.02 0.00 0.00 31.44 31.16 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 -2.68 -0.06 0.02 1.62 1.04 -1.08 -1.96 113.70 110.60 3hty s SER 63 Ca 0.00 -0.51 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 3hty s SER 63 Cb 0.00 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 3hty s SER 63 CO 0.00 -0.81 -0.03 -1.66 0.98 0.00 0.00 173.24 171.72 3hty s TRP 64 N -3.84 0.28 -0.13 5.02 1.48 0.16 -1.45 118.94 120.45 3hty s TRP 64 Ca 0.05 -0.57 -0.06 0.00 -1.06 0.00 0.00 56.10 54.46 3hty s TRP 64 Cb 0.03 -0.20 0.06 0.00 -1.16 0.00 0.00 33.47 32.19 3hty s TRP 64 CO -0.10 -0.21 0.30 0.21 -4.06 0.00 0.00 176.95 173.09 3hty s LYS 65 N -1.68 0.24 -0.18 3.25 2.47 -0.36 -4.61 119.74 118.87 3hty s LYS 65 Ca -0.14 0.69 -0.07 0.00 -1.56 0.00 0.00 55.97 54.88 3hty s LYS 65 Cb -0.08 -0.04 -0.04 0.00 -1.46 0.00 0.00 37.83 36.21 3hty s LYS 65 CO -0.02 -0.20 0.06 -1.14 0.16 0.00 0.00 175.35 174.21 3hty s GLN 66 N 1.70 3.97 -0.37 4.03 0.74 -1.26 -0.54 119.66 127.92 3hty s GLN 66 Ca -0.06 -0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.00 3hty s GLN 66 Cb -0.10 -3.21 0.12 0.00 1.10 0.00 0.00 33.01 30.92 3hty s GLN 66 CO -0.10 0.27 0.18 -1.21 -0.55 0.00 0.00 175.29 173.88 3hty s GLU 67 N 0.38 0.89 7.86 1.67 2.02 -0.05 -5.02 118.70 126.45 3hty s GLU 67 Ca 0.03 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.54 3hty s GLU 67 Cb -0.12 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3hty s GLU 67 CO 0.00 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 174.59 3hty n GLY 68 N 4.17 3.43 1.02 -1.39 0.00 -1.26 -1.61 105.19 109.56 3hty n GLY 68 Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.87 -4.41 2.61 -2.24 -1.26 -4.88 114.28 104.96 3hty n THR 69 Ca 0.00 -0.73 -0.34 0.00 -2.27 0.00 0.00 64.05 60.71 3hty n THR 69 Cb 0.00 0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.45 2.84 -0.09 -0.78 -0.14 -0.63 0.53 119.74 120.02 3hty s LYS 70 Ca 0.35 -0.52 0.01 0.00 -1.36 0.00 0.00 55.97 54.45 3hty s LYS 70 Cb 0.19 -2.69 0.02 0.00 -1.68 0.00 0.00 37.83 33.67 3hty s LYS 70 CO 0.22 0.67 -0.12 -1.17 -0.76 0.00 0.00 175.35 174.18 3hty s LEU 71 N -1.10 1.54 -0.22 3.17 2.96 -1.26 -0.87 118.68 122.89 3hty s LEU 71 Ca 0.15 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 3hty s LEU 71 Cb -0.11 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3hty s LEU 71 CO 0.05 -0.02 0.08 -0.63 -1.32 0.00 0.00 176.35 174.51 3hty s ILE 72 N 1.07 4.64 -0.09 6.68 1.01 0.29 -4.34 121.20 130.45 3hty s ILE 72 Ca -0.06 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.55 3hty s ILE 72 Cb -0.15 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3hty s ILE 72 CO -0.01 0.38 -0.22 -0.76 0.00 0.00 0.00 174.94 174.32 3hty s LEU 73 N 1.09 2.20 0.17 2.97 1.43 0.15 -1.22 118.68 125.46 3hty s LEU 73 Ca 0.05 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3hty s LEU 73 Cb -0.14 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3hty s LEU 73 CO 0.03 0.19 -0.13 0.42 0.23 0.00 0.00 176.35 177.09 3hty s THR 74 N 0.15 1.49 -2.77 5.49 -4.23 -0.53 -0.35 115.64 114.89 3hty s THR 74 Ca -0.12 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 3hty s THR 74 Cb -0.16 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.83 3hty s THR 74 CO 0.07 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 3hty n GLY 75 N -0.05 -0.53 3.13 3.99 0.00 -1.11 -0.52 105.19 110.09 3hty n GLY 75 Ca -0.11 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.11 0.60 0.02 1.61 -2.85 0.02 -0.60 119.74 117.43 3hty s LYS 76 Ca 0.00 -0.63 0.04 0.00 -1.00 0.00 0.00 55.97 54.37 3hty s LYS 76 Cb 0.00 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 3hty s LYS 76 CO 0.00 -0.16 -0.06 -1.54 0.10 0.00 0.00 175.35 173.69 3hty s SER 77 N -1.94 4.65 -0.13 0.03 1.04 -0.50 -0.18 113.70 116.67 3hty s SER 77 Ca -0.07 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 3hty s SER 77 Cb -0.03 -1.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.99 3hty s SER 77 CO -0.03 0.26 0.01 -0.63 0.98 0.00 0.00 173.24 173.84 3hty s ILE 78 N -1.05 4.36 0.43 -1.02 -1.09 0.04 -1.96 121.20 120.92 3hty s ILE 78 Ca 0.18 -0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 3hty s ILE 78 Cb -0.11 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 3hty s ILE 78 CO 0.09 0.54 0.14 -0.83 -1.23 0.00 0.00 174.94 173.65 3hty s GLY 79 N -0.20 2.74 0.06 6.18 0.00 0.05 -4.89 107.32 111.26 3hty s GLY 79 Ca 0.06 -1.10 -0.36 0.00 0.00 0.00 0.00 44.72 43.32 3hty s GLY 79 CO 0.02 -1.84 1.54 -0.57 0.00 0.00 0.00 173.10 172.25 3hty h ASN 80 N 1.71 -1.02 0.29 1.64 -1.24 -2.04 -3.31 115.58 111.61 3hty h ASN 80 Ca -0.34 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.69 3hty h ASN 80 Cb 1.28 0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.60 3hty h ASN 80 CO 0.54 -0.72 -0.14 1.23 -1.29 0.00 0.00 177.43 177.06 3hty h GLY 81 N -1.24 -0.41 -0.09 1.57 0.00 -2.03 -3.48 103.07 97.39 3hty h GLY 81 Ca -0.12 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3hty h GLY 81 CO 0.20 -0.15 -0.01 -1.06 0.00 0.00 0.00 176.54 175.52 3hty n GLN 82 N -5.13 0.03 -4.81 4.80 1.13 -1.25 -5.16 117.38 106.99 3hty n GLN 82 Ca -0.10 -0.16 -0.26 0.00 -1.94 0.00 0.00 57.00 54.54 3hty n GLN 82 Cb 0.25 0.15 -0.15 0.00 0.11 0.00 0.00 30.24 30.60 3hty n GLN 82 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hty s THR 83 N -2.31 1.63 -0.07 5.09 -4.23 -1.26 -0.77 115.64 113.72 3hty s THR 83 Ca 0.02 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3hty s THR 83 Cb 0.00 -1.39 0.02 0.00 1.34 0.00 0.00 72.50 72.47 3hty s THR 83 CO 0.01 0.32 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.70 3hty s ILE 84 N -0.64 0.89 0.50 2.99 1.01 -0.83 -4.96 121.20 120.16 3hty s ILE 84 Ca 0.08 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 3hty s ILE 84 Cb -0.08 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.45 3hty s ILE 84 CO 0.01 0.31 1.02 -1.61 0.00 0.00 0.00 174.94 174.67 3hty s GLU 85 N 1.00 3.78 0.04 2.79 0.41 -1.26 -1.41 118.70 124.05 3hty s GLU 85 Ca -0.09 1.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.70 3hty s GLU 85 Cb -0.15 -2.10 -0.03 0.00 -1.78 0.00 0.00 34.13 30.07 3hty s GLU 85 CO 0.00 -0.43 -0.04 -0.59 -0.49 0.00 0.00 175.26 173.71 3hty s PHE 86 N -2.20 0.48 -0.21 1.61 -0.12 0.23 -4.94 117.98 112.83 3hty s PHE 86 Ca 0.64 -0.77 -0.02 0.00 -0.05 0.00 0.00 56.93 56.74 3hty s PHE 86 Cb -0.14 -0.33 0.06 0.00 -0.63 0.00 0.00 43.02 41.98 3hty s PHE 86 CO 0.24 -0.24 0.02 0.08 -0.05 0.00 0.00 175.22 175.27 3hty s VAL 87 N -2.60 0.72 -0.20 -2.49 1.01 -1.26 -2.77 120.40 112.81 3hty s VAL 87 Ca -0.04 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 3hty s VAL 87 Cb -0.02 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3hty s VAL 87 CO -0.05 -0.22 0.02 -1.81 0.00 0.00 0.00 175.10 173.05 3hty s ASP 88 N 1.76 5.04 0.18 3.32 1.01 0.53 -4.97 116.67 123.54 3hty s ASP 88 Ca -0.01 -0.14 0.07 0.00 0.71 0.00 0.00 52.55 53.17 3hty s ASP 88 Cb -0.17 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 3hty s ASP 88 CO -0.09 0.08 0.07 -0.89 0.21 0.00 0.00 175.17 174.55 3hty s THR 89 N 0.93 4.05 -0.06 -1.27 2.01 -1.26 -0.67 115.64 119.36 3hty s THR 89 Ca 0.02 -1.32 0.04 0.00 0.31 0.00 0.00 61.69 60.74 3hty s THR 89 Cb -0.14 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.30 3hty s THR 89 CO 0.02 -0.14 -0.18 -1.81 -0.69 0.00 0.00 174.62 171.83 3hty s ASP 91 N -3.10 2.29 -0.28 3.53 1.01 0.64 -4.88 116.67 115.88 3hty s ASP 91 Ca 0.29 -0.39 -0.24 0.00 0.71 0.00 0.00 52.55 52.92 3hty s ASP 91 Cb -0.09 -0.86 -0.00 0.00 1.01 0.00 0.00 42.92 42.98 3hty s ASP 91 CO 0.21 0.12 0.81 -0.63 0.21 0.00 0.00 175.17 175.89 3hty s ILE 92 N 0.28 4.81 -0.06 0.77 1.01 0.19 -0.80 121.20 127.41 3hty s ILE 92 Ca -0.10 1.38 0.19 0.00 0.00 0.00 0.00 60.65 62.11 3hty s ILE 92 Cb -0.14 -4.14 -0.29 0.00 0.01 0.00 0.00 42.46 37.90 3hty s ILE 92 CO 0.04 -0.17 0.36 0.29 0.00 0.00 0.00 174.94 175.46 3hty n LYS 93 N 6.13 0.68 -3.74 2.79 4.76 0.80 -4.88 118.16 124.70 3hty n LYS 93 Ca 0.05 -0.15 -0.12 0.00 -2.87 0.00 0.00 58.31 55.22 3hty n LYS 93 Cb 0.48 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 32.09 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 -3.18 0.35 -0.27 1.97 6.06 -1.13 -4.93 118.95 117.83 3hty s ARG 94 Ca -0.07 0.55 -0.01 0.00 -2.50 0.00 0.00 55.73 53.70 3hty s ARG 94 Cb 0.11 0.07 0.15 0.00 0.06 0.00 0.00 34.95 35.34 3hty s ARG 94 CO 0.80 -0.10 0.39 -1.17 -2.50 0.00 0.00 175.30 172.72 3hty s LEU 95 N 0.69 -0.67 0.00 -0.88 2.96 -1.25 -1.39 118.68 118.13 3hty s LEU 95 Ca -0.04 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3hty s LEU 95 Cb -0.05 1.07 -0.01 0.00 0.50 0.00 0.00 46.19 47.70 3hty s LEU 95 CO -0.05 -0.33 0.11 0.35 -1.32 0.00 0.00 176.35 175.12 3hty n THR 96 N 5.36 0.00 0.25 3.68 -2.24 -0.07 -4.44 114.28 116.83 3hty n THR 96 Ca -0.02 -2.18 0.08 0.00 -2.27 0.00 0.00 64.05 59.66 3hty n THR 96 Cb 0.50 0.72 0.62 0.00 -2.10 0.00 0.00 70.33 70.07 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 1.55 1.97 0.00 6.98 0.00 -1.93 -3.23 119.26 124.60 3hty h ALA 97 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hty h ALA 97 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hty h ALA 97 CO 0.49 0.02 -0.80 -0.25 0.00 0.00 0.00 179.25 178.71 3hty n ASP 98 N -4.52 1.05 -3.86 0.00 8.00 -1.26 -4.72 116.55 111.24 3hty n ASP 98 Ca -0.03 -0.55 -0.11 0.00 0.71 0.00 0.00 54.79 54.81 3hty n ASP 98 Cb 0.10 1.15 -0.10 0.00 -0.02 0.00 0.00 41.12 42.25 3hty n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3hty s SER 99 N -2.40 0.01 -0.07 -2.24 0.01 -1.22 -1.01 113.70 106.77 3hty s SER 99 Ca 0.02 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 3hty s SER 99 Cb 0.08 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.56 3hty s SER 99 CO 0.46 -0.40 -0.00 -0.22 0.41 0.00 0.00 173.24 173.49 3hty s LEU 100 N -1.46 0.62 -0.17 2.44 2.96 -0.68 -0.89 118.68 121.50 3hty s LEU 100 Ca -0.14 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3hty s LEU 100 Cb -0.07 -0.46 -0.00 0.00 0.50 0.00 0.00 46.19 46.16 3hty s LEU 100 CO 0.01 -0.19 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.04 3hty s VAL 101 N 1.96 2.87 0.11 1.68 1.01 -0.49 -0.15 120.40 127.39 3hty s VAL 101 Ca 0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3hty s VAL 101 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3hty s VAL 101 CO -0.05 0.50 -0.14 -0.76 0.00 0.00 0.00 175.10 174.64 3hty s LEU 102 N 0.92 2.86 -0.03 3.92 1.43 -0.29 -0.14 118.68 127.35 3hty s LEU 102 Ca -0.03 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3hty s LEU 102 Cb -0.15 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3hty s LEU 102 CO -0.01 0.18 0.08 -0.62 0.23 0.00 0.00 176.35 176.22 3hty s ASP 103 N -2.14 -0.07 -0.31 2.29 3.68 0.02 -1.18 116.67 118.97 3hty s ASP 103 Ca 0.19 0.17 0.00 0.00 2.13 0.00 0.00 52.55 55.05 3hty s ASP 103 Cb -0.11 0.14 0.10 0.00 -1.45 0.00 0.00 42.92 41.59 3hty s ASP 103 CO 0.12 -0.06 0.07 0.21 0.13 0.00 0.00 175.17 175.64 3hty s ASN 104 N 0.38 4.12 -1.55 -0.34 2.47 -1.26 -0.26 114.94 118.50 3hty s ASN 104 Ca -0.03 -1.68 -0.04 0.00 0.42 0.00 0.00 52.86 51.53 3hty s ASN 104 Cb -0.04 -1.04 0.04 0.00 -1.45 0.00 0.00 41.25 38.76 3hty s ASN 104 CO -0.01 -0.39 0.27 0.00 -3.72 0.00 0.00 177.10 173.25 3hty n GLN 105 N 4.72 -1.90 0.00 0.43 3.00 -1.26 -4.83 117.38 117.54 3hty n GLN 105 Ca -0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3hty n GLN 105 Cb 0.42 -4.15 0.00 0.00 0.00 0.00 0.00 30.24 26.51 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hty n GLY 106 N -2.12 0.83 0.00 1.08 0.00 -1.26 -5.26 105.19 98.45 3hty n GLY 106 Ca -0.24 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3hty n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hty n GLU 108 N 0.00 0.00 -4.12 1.61 1.02 -1.26 -5.08 120.64 112.82 3hty n GLU 108 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 3hty n GLU 108 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 3hty n GLU 108 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3hty s ILE 109 N -1.87 0.43 -0.16 -3.67 1.10 -0.33 -5.01 121.20 111.69 3hty s ILE 109 Ca 0.00 -0.10 -0.04 0.00 -0.51 0.00 0.00 60.65 60.01 3hty s ILE 109 Cb 0.00 -0.45 -0.03 0.00 0.15 0.00 0.00 42.46 42.14 3hty s ILE 109 CO 0.00 0.18 -0.04 -0.60 -2.11 0.00 0.00 174.94 172.37 3hty s ARG 110 N 0.71 3.64 0.15 3.50 3.52 -1.26 -1.14 118.95 128.06 3hty s ARG 110 Ca -0.09 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 55.06 3hty s ARG 110 Cb -0.12 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 3hty s ARG 110 CO -0.00 0.20 -0.12 0.71 -0.81 0.00 0.00 175.30 175.28 3hty s TYR 111 N 0.48 2.64 0.04 5.12 2.02 0.79 -4.84 117.35 123.59 3hty s TYR 111 Ca -0.04 -0.21 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 3hty s TYR 111 Cb -0.14 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 3hty s TYR 111 CO 0.03 0.46 -0.04 0.00 -1.57 0.00 0.00 175.55 174.43 3hty s ALA 112 N -1.45 3.13 -0.03 3.71 0.00 -0.31 -1.68 121.76 125.14 3hty s ALA 112 Ca 0.22 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3hty s ALA 112 Cb -0.10 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 3hty s ALA 112 CO 0.14 0.65 1.43 0.21 0.00 0.00 0.00 175.76 178.18 3hty s LYS 113 N -1.76 4.26 0.20 0.00 2.47 -0.18 -0.52 119.74 124.21 3hty s LYS 113 Ca 0.20 1.97 -0.30 0.00 -1.56 0.00 0.00 55.97 56.29 3hty s LYS 113 Cb -0.11 -3.66 -0.09 0.00 -1.46 0.00 0.00 37.83 32.51 3hty s LYS 113 CO 0.11 -0.64 1.27 -1.14 0.16 0.00 0.00 175.35 175.11 3hty s GLN 114 N 2.80 4.43 0.00 4.03 0.74 0.54 -4.92 119.66 127.28 3hty s GLN 114 Ca 0.64 2.00 0.00 0.00 0.05 0.00 0.00 55.36 58.05 3hty s GLN 114 Cb -0.31 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3hty s GLN 114 CO 0.26 -0.18 0.00 1.63 -0.55 0.00 0.00 175.29 176.45