#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6s s ALA 2 N 0.00 -0.89 -0.47 -5.12 0.00 -1.26 -4.42 121.76 109.60 3h6s s ALA 2 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3h6s s ALA 2 Cb 0.00 0.80 0.12 0.00 0.00 0.00 0.00 23.12 24.05 3h6s s ALA 2 CO 0.00 -0.74 0.23 -1.12 0.00 0.00 0.00 175.76 174.13 3h6s s SER 3 N -2.85 4.82 -0.10 0.00 0.01 -1.26 -4.86 113.70 109.47 3h6s s SER 3 Ca 0.07 -2.55 -0.24 0.00 1.31 0.00 0.00 55.95 54.54 3h6s s SER 3 Cb 0.00 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 3h6s s SER 3 CO -0.06 -0.36 0.75 -0.76 0.41 0.00 0.00 173.24 173.22 3h6s s LEU 4 N 0.37 4.27 0.64 2.44 1.43 -1.26 -5.04 118.68 121.53 3h6s s LEU 4 Ca 0.14 1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 54.27 3h6s s LEU 4 Cb -0.22 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3h6s s LEU 4 CO -0.04 -0.21 1.14 -1.61 0.23 0.00 0.00 176.35 175.86 3h6s s GLU 5 N 1.26 2.84 0.39 1.70 2.02 -1.26 -4.84 118.70 120.81 3h6s s GLU 5 Ca 0.38 1.54 -0.26 0.00 0.02 0.00 0.00 54.97 56.65 3h6s s GLU 5 Cb -0.18 -1.94 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 3h6s s GLU 5 CO 0.17 -1.24 1.21 -0.51 0.02 0.00 0.00 175.26 174.90 3h6s s ASP 6 N -2.22 6.52 0.00 -0.19 -0.00 -1.26 -4.89 116.67 114.62 3h6s s ASP 6 Ca 0.70 2.44 0.00 0.00 -0.00 0.00 0.00 52.55 55.69 3h6s s ASP 6 Cb -0.23 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.06 3h6s s ASP 6 CO 0.38 -0.68 0.00 0.61 -0.00 0.00 0.00 175.17 175.47 3h6s n GLY 7 N 0.68 -1.41 3.60 0.21 0.00 -0.91 -4.98 105.19 102.38 3h6s n GLY 7 Ca 0.04 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 3h6s n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h6s s THR 8 N -2.96 4.69 0.12 2.61 2.01 -1.26 -0.51 115.64 120.34 3h6s s THR 8 Ca 0.00 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.97 3h6s s THR 8 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3h6s s THR 8 CO 0.00 0.43 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.97 3h6s s TYR 9 N 0.63 1.07 -0.12 4.92 2.02 0.14 -0.51 117.35 125.49 3h6s s TYR 9 Ca 0.03 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 55.88 3h6s s TYR 9 Cb -0.13 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 3h6s s TYR 9 CO 0.02 -0.04 -0.06 1.03 -1.57 0.00 0.00 175.55 174.93 3h6s s ARG 10 N -3.77 3.32 -0.37 -0.62 0.52 -0.73 -0.83 118.95 116.47 3h6s s ARG 10 Ca 0.14 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.74 3h6s s ARG 10 Cb 0.04 -2.76 0.07 0.00 0.52 0.00 0.00 34.95 32.82 3h6s s ARG 10 CO -0.02 0.38 0.15 -0.51 0.02 0.00 0.00 175.30 175.32 3h6s s LEU 11 N -0.03 4.72 -0.11 2.53 1.02 -1.26 -1.19 118.68 124.36 3h6s s LEU 11 Ca 0.00 -1.54 -0.22 0.00 0.02 0.00 0.00 54.13 52.39 3h6s s LEU 11 Cb -0.13 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 3h6s s LEU 11 CO 0.03 -0.43 0.65 -0.60 0.02 0.00 0.00 176.35 176.02 3h6s s ARG 12 N 1.29 4.36 0.02 1.70 3.52 -0.24 -1.63 118.95 127.97 3h6s s ARG 12 Ca 0.02 0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 56.07 3h6s s ARG 12 Cb -0.21 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 3h6s s ARG 12 CO -0.00 -0.01 1.32 0.00 -0.81 0.00 0.00 175.30 175.79 3h6s s ALA 13 N 1.10 3.52 0.00 6.12 0.00 0.99 -1.28 121.76 132.22 3h6s s ALA 13 Ca 0.34 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3h6s s ALA 13 Cb -0.17 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3h6s s ALA 13 CO 0.15 -0.73 0.00 1.55 0.00 0.00 0.00 175.76 176.73 3h6s n VAL 14 N 4.37 0.00 -3.75 0.00 3.14 -0.10 -4.61 118.33 117.38 3h6s n VAL 14 Ca 0.12 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.40 3h6s n VAL 14 Cb 0.44 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.16 3h6s n VAL 14 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3h6s s THR 15 N -1.45 0.10 0.28 1.55 2.01 -1.19 -1.50 115.64 115.45 3h6s s THR 15 Ca 0.00 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.14 3h6s s THR 15 Cb 0.00 -1.21 0.12 0.00 0.01 0.00 0.00 72.50 71.42 3h6s s THR 15 CO 0.00 -0.48 1.78 0.00 -0.69 0.00 0.00 174.62 175.24 3h6s h THR 16 N 2.66 1.23 0.00 -0.82 1.03 -1.33 -2.33 112.91 113.34 3h6s h THR 16 Ca -0.34 -0.96 -0.05 0.00 -0.01 0.00 0.00 66.41 65.05 3h6s h THR 16 Cb 1.22 0.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 3h6s h THR 16 CO 0.51 0.34 -0.26 0.28 -0.01 0.00 0.00 175.52 176.38 3h6s h SER 17 N 0.67 0.00 -2.14 0.00 0.02 -1.95 -3.38 113.55 106.77 3h6s h SER 17 Ca 0.13 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.51 3h6s h SER 17 Cb 0.43 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.58 3h6s h SER 17 CO 0.02 0.26 -1.03 -3.20 -1.14 0.00 0.00 176.83 171.73 3h6s n ASN 18 N -3.24 0.24 0.12 3.07 5.15 -1.13 -4.97 115.26 114.50 3h6s n ASN 18 Ca 0.02 -2.65 0.11 0.00 -0.60 0.00 0.00 54.58 51.45 3h6s n ASN 18 Cb 0.56 -0.62 0.48 0.00 -0.53 0.00 0.00 39.78 39.67 3h6s n ASN 18 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3h6s n PRO 19 N 1.79 0.15 -3.40 1.20 -0.04 -0.89 -3.15 135.00 130.66 3h6s n PRO 19 Ca 0.24 0.48 -0.22 0.00 -0.04 0.00 0.00 63.50 63.96 3h6s n PRO 19 Cb 0.51 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 3h6s n PRO 19 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3h6s s ASP 20 N -4.02 1.91 0.38 3.54 2.15 -1.26 -4.81 116.67 114.57 3h6s s ASP 20 Ca 0.02 -1.84 0.28 0.00 0.43 0.00 0.00 52.55 51.44 3h6s s ASP 20 Cb 0.08 0.16 1.19 0.00 -0.30 0.00 0.00 42.92 44.05 3h6s s ASP 20 CO 0.30 -0.28 1.83 -0.65 -0.17 0.00 0.00 175.17 176.21 3h6s h PRO 21 N 7.03 0.00 0.00 4.34 0.11 -1.96 -3.49 132.00 138.03 3h6s h PRO 21 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3h6s h PRO 21 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3h6s h PRO 21 CO 0.22 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.42 3h6s n GLY 22 N -0.09 0.48 3.83 -0.55 0.00 -1.26 -5.06 105.19 102.54 3h6s n GLY 22 Ca 0.01 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 3h6s n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h6s s VAL 23 N -0.04 4.04 0.00 1.61 -7.23 -1.26 -4.82 120.40 112.69 3h6s s VAL 23 Ca 0.00 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 3h6s s VAL 23 Cb 0.00 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.48 3h6s s VAL 23 CO 0.00 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 3h6s n GLY 24 N -2.19 0.27 0.91 2.32 0.00 -1.26 -5.06 105.19 100.18 3h6s n GLY 24 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3h6s n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6s n GLY 25 N 0.00 -2.71 3.27 -0.02 0.00 -1.26 -4.95 105.19 99.51 3h6s n GLY 25 Ca 0.00 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.84 3h6s n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6s s GLU 26 N -0.44 1.11 0.07 1.61 2.02 -1.26 -4.01 118.70 117.80 3h6s s GLU 26 Ca 0.00 -1.11 0.06 0.00 0.02 0.00 0.00 54.97 53.94 3h6s s GLU 26 Cb 0.00 -1.32 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 3h6s s GLU 26 CO 0.00 0.31 -0.16 0.71 0.02 0.00 0.00 175.26 176.14 3h6s s TYR 27 N -1.13 1.37 0.01 1.61 2.02 0.34 -0.00 117.35 121.57 3h6s s TYR 27 Ca 0.05 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 3h6s s TYR 27 Cb -0.10 -0.77 -0.07 0.00 -0.40 0.00 0.00 41.96 40.62 3h6s s TYR 27 CO 0.04 0.09 1.79 0.00 -1.57 0.00 0.00 175.55 175.90 3h6s s ALA 28 N -1.17 3.62 -0.07 3.71 0.00 -0.65 -0.82 121.76 126.38 3h6s s ALA 28 Ca 0.01 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3h6s s ALA 28 Cb -0.10 -3.78 0.02 0.00 0.00 0.00 0.00 23.12 19.27 3h6s s ALA 28 CO 0.03 -1.42 -0.05 0.99 0.00 0.00 0.00 175.76 175.30 3h6s s THR 29 N 3.95 0.70 0.23 0.00 2.01 0.30 -4.43 115.64 118.40 3h6s s THR 29 Ca 0.80 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 3h6s s THR 29 Cb -0.39 -0.74 -0.09 0.00 0.01 0.00 0.00 72.50 71.30 3h6s s THR 29 CO 0.35 0.29 0.94 0.54 -0.69 0.00 0.00 174.62 176.05 3h6s s VAL 30 N 1.30 4.11 -0.28 3.82 0.11 -0.79 -0.77 120.40 127.90 3h6s s VAL 30 Ca -0.04 2.08 0.16 0.00 -2.93 0.00 0.00 61.98 61.25 3h6s s VAL 30 Cb -0.14 -4.33 0.48 0.00 -1.53 0.00 0.00 36.38 30.87 3h6s s VAL 30 CO -0.02 0.48 1.13 -0.62 -3.33 0.00 0.00 175.10 172.73 3h6s n GLU 31 N 1.61 2.46 0.00 1.54 -0.58 -1.26 -4.88 120.64 119.54 3h6s n GLU 31 Ca -0.02 -3.78 0.00 0.00 -0.42 0.00 0.00 57.16 52.94 3h6s n GLU 31 Cb 0.47 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 3h6s n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h6s n GLY 32 N -0.59 3.35 3.66 0.62 0.00 -1.26 -4.75 105.19 106.20 3h6s n GLY 32 Ca 0.22 -1.47 -0.49 0.00 0.00 0.00 0.00 46.02 44.29 3h6s n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6s n ALA 33 N 0.46 0.62 -1.16 4.61 0.00 -1.26 -1.42 120.51 122.36 3h6s n ALA 33 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 3h6s n ALA 33 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 3h6s n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h6s n ARG 34 N 3.89 -0.89 -4.07 0.00 1.74 0.54 -4.99 116.66 112.87 3h6s n ARG 34 Ca 0.19 0.58 -0.30 0.00 -0.77 0.00 0.00 57.85 57.55 3h6s n ARG 34 Cb 0.25 -4.45 -0.07 0.00 -1.02 0.00 0.00 32.46 27.18 3h6s n ARG 34 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3h6s s GLN 35 N -2.00 2.80 0.36 5.56 -1.52 -0.51 -4.72 119.66 119.63 3h6s s GLN 35 Ca 0.00 -0.76 -0.26 0.00 -1.95 0.00 0.00 55.36 52.39 3h6s s GLN 35 Cb 0.00 -2.67 -0.12 0.00 -0.22 0.00 0.00 33.01 30.00 3h6s s GLN 35 CO 0.00 0.55 1.00 -2.30 -0.25 0.00 0.00 175.29 174.28 3h6s n PRO 36 N 0.34 1.35 -2.88 2.91 -0.02 -1.26 -2.01 135.00 133.43 3h6s n PRO 36 Ca -0.09 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.49 3h6s n PRO 36 Cb 0.52 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 3h6s n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h6s s VAL 37 N -1.18 4.29 0.22 -1.45 1.01 -0.12 -4.44 120.40 118.73 3h6s s VAL 37 Ca 0.61 1.74 0.08 0.00 0.00 0.00 0.00 61.98 64.41 3h6s s VAL 37 Cb -0.62 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 3h6s s VAL 37 CO 0.59 0.30 0.02 -0.54 0.00 0.00 0.00 175.10 175.46 3h6s s LYS 38 N -1.70 2.41 -0.37 2.72 1.02 0.05 -1.87 119.74 122.00 3h6s s LYS 38 Ca 0.44 -1.23 -0.14 0.00 0.02 0.00 0.00 55.97 55.06 3h6s s LYS 38 Cb -0.20 -2.30 -0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3h6s s LYS 38 CO 0.25 0.41 0.27 0.00 -0.92 0.00 0.00 175.35 175.36 3h6s s ALA 39 N -2.02 3.49 -0.00 5.17 0.00 0.71 0.11 121.76 129.22 3h6s s ALA 39 Ca 0.30 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 3h6s s ALA 39 Cb -0.08 -2.77 -0.00 0.00 0.00 0.00 0.00 23.12 20.27 3h6s s ALA 39 CO 0.20 -1.18 0.09 -1.21 0.00 0.00 0.00 175.76 173.65 3h6s s GLU 40 N 1.71 0.35 0.91 0.00 2.02 -0.00 -4.71 118.70 118.98 3h6s s GLU 40 Ca 0.06 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 54.62 3h6s s GLU 40 Cb -0.18 0.14 0.14 0.00 0.10 0.00 0.00 34.13 34.33 3h6s s GLU 40 CO 0.10 -0.07 1.10 -1.25 0.02 0.00 0.00 175.26 175.16 3h6s s PRO 41 N -1.06 1.15 -1.40 0.39 0.04 -1.26 -0.50 135.00 132.37 3h6s s PRO 41 Ca -0.12 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 3h6s s PRO 41 Cb -0.07 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.78 3h6s s PRO 41 CO 0.01 -2.42 2.07 0.45 0.04 0.00 0.00 177.00 177.14 3h6s n SER 42 N -4.06 4.28 -4.44 6.66 2.88 -1.26 -4.53 113.62 113.16 3h6s n SER 42 Ca 0.09 -2.90 -0.21 0.00 -1.33 0.00 0.00 58.87 54.51 3h6s n SER 42 Cb 0.53 -1.64 -0.10 0.00 -0.75 0.00 0.00 64.21 62.25 3h6s n SER 42 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3h6s s THR 43 N 2.86 1.55 0.32 2.46 -4.23 -1.26 -4.88 115.64 112.46 3h6s s THR 43 Ca 0.47 -2.09 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 3h6s s THR 43 Cb 0.11 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.73 3h6s s THR 43 CO -0.04 -0.23 1.70 -0.65 -0.54 0.00 0.00 174.62 174.86 3h6s h PRO 44 N 2.23 0.47 0.00 3.99 0.11 -2.00 0.43 132.00 137.22 3h6s h PRO 44 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h6s h PRO 44 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h6s h PRO 44 CO 0.68 0.31 0.00 -2.30 -0.21 0.00 0.00 178.00 176.48 3h6s n PRO 45 N -4.96 0.11 0.00 1.05 -0.02 -1.26 -3.83 135.00 126.10 3h6s n PRO 45 Ca 0.28 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3h6s n PRO 45 Cb 0.81 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 3h6s n PRO 45 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3h6s n PHE 46 N -1.40 0.00 -0.34 6.00 3.01 -0.01 -4.91 117.46 119.81 3h6s n PHE 46 Ca 0.05 0.00 0.29 0.00 1.01 0.00 0.00 57.45 58.81 3h6s n PHE 46 Cb 0.15 0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.17 3h6s n PHE 46 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3h6s h PHE 47 N 0.00 0.83 -0.00 1.38 3.57 -0.35 -1.83 116.94 120.54 3h6s h PHE 47 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3h6s h PHE 47 Cb 0.15 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3h6s h PHE 47 CO 0.00 -0.31 -0.03 0.39 -2.23 0.00 0.00 178.31 176.13 3h6s n GLU 48 N -5.09 0.78 -0.75 1.11 -0.58 -1.26 -3.48 120.64 111.36 3h6s n GLU 48 Ca 0.35 -0.14 0.01 0.00 -0.42 0.00 0.00 57.16 56.96 3h6s n GLU 48 Cb 1.18 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 30.82 3h6s n GLU 48 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h6s n ARG 49 N -0.99 3.06 -0.08 3.49 1.74 -0.69 -4.51 116.66 118.69 3h6s n ARG 49 Ca 0.18 -3.02 0.05 0.00 -0.77 0.00 0.00 57.85 54.29 3h6s n ARG 49 Cb 0.22 -1.99 0.09 0.00 -1.02 0.00 0.00 32.46 29.75 3h6s n ARG 49 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3h6s n GLN 50 N -0.48 2.34 -3.88 5.56 6.02 -1.23 -1.88 117.38 123.85 3h6s n GLN 50 Ca 0.31 -2.06 -0.35 0.00 -0.01 0.00 0.00 57.00 54.88 3h6s n GLN 50 Cb 1.12 -1.28 -0.08 0.00 1.02 0.00 0.00 30.24 31.02 3h6s n GLN 50 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3h6s s ILE 51 N -1.85 5.24 0.01 5.09 1.01 -1.26 -4.30 121.20 125.14 3h6s s ILE 51 Ca 0.18 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.98 3h6s s ILE 51 Cb 0.14 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 3h6s s ILE 51 CO 0.03 0.51 -0.10 0.26 0.00 0.00 0.00 174.94 175.64 3h6s s TRP 52 N -0.15 0.90 -0.18 3.97 0.52 -0.01 -4.42 118.94 119.56 3h6s s TRP 52 Ca 0.09 -0.25 -0.15 0.00 0.02 0.00 0.00 56.10 55.81 3h6s s TRP 52 Cb -0.12 -0.56 -0.04 0.00 -1.15 0.00 0.00 33.47 31.60 3h6s s TRP 52 CO 0.01 -0.01 0.36 -1.14 0.02 0.00 0.00 176.95 176.18 3h6s s GLN 53 N -0.65 4.21 -0.03 4.98 2.00 0.15 0.23 119.66 130.55 3h6s s GLN 53 Ca 0.01 0.16 0.04 0.00 -2.00 0.00 0.00 55.36 53.57 3h6s s GLN 53 Cb -0.06 -3.49 -0.03 0.00 0.80 0.00 0.00 33.01 30.24 3h6s s GLN 53 CO 0.00 0.08 -0.14 0.08 -0.50 0.00 0.00 175.29 174.81 3h6s s VAL 54 N 0.95 3.08 -0.15 1.34 1.01 0.33 -1.02 120.40 125.94 3h6s s VAL 54 Ca 0.18 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3h6s s VAL 54 Cb -0.14 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.08 3h6s s VAL 54 CO 0.07 0.54 0.32 -0.89 0.00 0.00 0.00 175.10 175.13 3h6s s THR 55 N -0.78 -0.45 0.40 3.92 2.01 -0.69 -2.14 115.64 117.91 3h6s s THR 55 Ca 0.12 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 3h6s s THR 55 Cb -0.11 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3h6s s THR 55 CO 0.02 0.10 0.68 -0.60 -0.69 0.00 0.00 174.62 174.12 3h6s s ARG 56 N 2.38 3.57 0.44 4.92 3.52 -1.26 -1.32 118.95 131.19 3h6s s ARG 56 Ca -0.01 0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.68 3h6s s ARG 56 Cb -0.12 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.75 3h6s s ARG 56 CO -0.10 -0.01 0.14 0.27 -0.81 0.00 0.00 175.30 174.78 3h6s n ASN 57 N -1.78 1.47 0.30 -2.12 0.23 0.12 -4.94 115.26 108.53 3h6s n ASN 57 Ca -0.01 -3.27 0.16 0.00 -0.53 0.00 0.00 54.58 50.93 3h6s n ASN 57 Cb 0.55 1.01 0.92 0.00 -2.08 0.00 0.00 39.78 40.18 3h6s n ASN 57 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3h6s h SER 58 N 1.65 0.00 0.66 0.53 0.87 -2.00 0.53 113.55 115.79 3h6s h SER 58 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3h6s h SER 58 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 3h6s h SER 58 CO 0.55 0.03 -0.20 0.47 -0.53 0.00 0.00 176.83 177.15 3h6s n ASP 59 N -3.65 0.30 -0.17 6.23 10.43 -1.26 -4.91 116.55 123.52 3h6s n ASP 59 Ca -0.03 -0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.29 3h6s n ASP 59 Cb 0.12 -0.13 0.00 0.00 1.84 0.00 0.00 41.12 42.95 3h6s n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h6s n GLY 60 N 1.44 0.76 3.41 0.44 0.00 0.18 -5.06 105.19 106.36 3h6s n GLY 60 Ca 0.08 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3h6s n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h6s s GLN 61 N -3.82 1.46 0.27 1.61 -0.21 -1.25 -4.76 119.66 112.97 3h6s s GLN 61 Ca 0.00 -1.35 0.11 0.00 0.02 0.00 0.00 55.36 54.14 3h6s s GLN 61 Cb 0.00 -1.92 -0.05 0.00 1.00 0.00 0.00 33.01 32.04 3h6s s GLN 61 CO 0.00 0.45 -0.19 -1.12 -2.12 0.00 0.00 175.29 172.31 3h6s s SER 62 N -2.15 3.47 0.24 5.90 0.01 0.03 0.12 113.70 121.32 3h6s s SER 62 Ca 0.15 -1.03 0.11 0.00 1.31 0.00 0.00 55.95 56.49 3h6s s SER 62 Cb -0.10 -0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 3h6s s SER 62 CO 0.07 0.01 -0.16 0.42 0.41 0.00 0.00 173.24 173.99 3h6s s THR 63 N -2.57 2.74 -0.26 1.44 -4.23 -0.44 0.27 115.64 112.60 3h6s s THR 63 Ca 0.29 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 3h6s s THR 63 Cb -0.04 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.48 3h6s s THR 63 CO 0.14 -0.28 0.09 -0.63 -0.54 0.00 0.00 174.62 173.40 3h6s s ILE 64 N -2.14 0.35 0.22 2.99 1.01 -1.26 -1.70 121.20 120.67 3h6s s ILE 64 Ca 0.27 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 60.20 3h6s s ILE 64 Cb -0.07 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 3h6s s ILE 64 CO 0.15 -0.52 -0.09 -0.54 0.00 0.00 0.00 174.94 173.93 3h6s s LYS 65 N 1.91 2.05 -0.02 2.79 1.02 -0.19 -0.73 119.74 126.56 3h6s s LYS 65 Ca 0.06 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 54.67 3h6s s LYS 65 Cb -0.17 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 3h6s s LYS 65 CO -0.23 0.40 -0.02 -0.47 -0.92 0.00 0.00 175.35 174.12 3h6s s TYR 66 N -1.97 3.04 0.00 3.18 5.04 0.02 0.33 117.35 127.00 3h6s s TYR 66 Ca 0.27 0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.98 3h6s s TYR 66 Cb -0.08 -1.68 -0.01 0.00 0.35 0.00 0.00 41.96 40.55 3h6s s TYR 66 CO 0.16 0.43 -0.03 -0.65 -1.34 0.00 0.00 175.55 174.12 3h6s s GLN 67 N -1.35 0.28 -0.32 4.97 -0.21 -1.26 -4.18 119.66 117.59 3h6s s GLN 67 Ca 0.17 -0.20 0.05 0.00 0.02 0.00 0.00 55.36 55.40 3h6s s GLN 67 Cb -0.11 -0.22 0.19 0.00 1.00 0.00 0.00 33.01 33.87 3h6s s GLN 67 CO 0.08 0.06 0.63 0.20 -2.12 0.00 0.00 175.29 174.14 3h6s s GLY 68 N -0.30 -1.26 0.00 3.09 0.00 -1.26 -4.94 107.32 102.66 3h6s s GLY 68 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.64 3h6s s GLY 68 CO -0.00 3.72 0.00 1.04 0.00 0.00 0.00 173.10 177.86 3h6s n LEU 69 N 5.13 0.00 -2.51 0.66 4.77 -1.26 -0.79 117.00 123.00 3h6s n LEU 69 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 3h6s n LEU 69 Cb 0.55 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.69 3h6s n LEU 69 CO -0.05 0.00 1.14 0.59 -1.33 0.00 0.00 177.39 177.74 3h6s n ASN 70 N 0.52 6.87 -4.69 -1.43 3.02 -1.26 -4.96 115.26 113.33 3h6s n ASN 70 Ca 0.00 -3.79 -0.42 0.00 -0.03 0.00 0.00 54.58 50.33 3h6s n ASN 70 Cb 0.00 -0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 38.29 3h6s n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h6s s ALA 71 N -3.85 3.54 -0.05 5.41 0.00 0.03 -4.91 121.76 121.93 3h6s s ALA 71 Ca 0.56 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3h6s s ALA 71 Cb 0.46 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3h6s s ALA 71 CO -0.17 -0.82 0.82 -0.35 0.00 0.00 0.00 175.76 175.24 3h6s n PRO 72 N 5.20 0.84 0.00 0.00 -0.04 -1.26 -4.58 135.00 135.16 3h6s n PRO 72 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3h6s n PRO 72 Cb 0.45 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 3h6s n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3h6s n PHE 73 N 0.55 -0.17 -1.26 0.54 -0.00 -1.26 -5.10 117.46 110.76 3h6s n PHE 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3h6s n PHE 73 Cb 0.41 0.03 0.00 0.00 -0.00 0.00 0.00 39.48 39.92 3h6s n PHE 73 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3h6s n GLU 74 N -1.44 0.00 -4.53 -4.13 2.13 -1.26 -5.11 120.64 106.31 3h6s n GLU 74 Ca 0.00 0.42 -0.25 0.00 0.66 0.00 0.00 57.16 57.98 3h6s n GLU 74 Cb 0.00 -1.26 -0.10 0.00 0.27 0.00 0.00 31.44 30.35 3h6s n GLU 74 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3h6s s TYR 75 N -1.69 2.37 0.00 4.31 -0.85 -1.26 -4.57 117.35 115.67 3h6s s TYR 75 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 3h6s s TYR 75 Cb 0.00 -1.29 0.00 0.00 0.38 0.00 0.00 41.96 41.05 3h6s s TYR 75 CO 0.00 0.61 0.00 0.41 -1.52 0.00 0.00 175.55 175.05 3h6s n GLY 76 N -0.75 2.13 3.67 5.49 0.00 -0.23 -0.80 105.19 114.70 3h6s n GLY 76 Ca -0.05 -0.97 -0.47 0.00 0.00 0.00 0.00 46.02 44.53 3h6s n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h6s n PHE 77 N 0.00 2.25 -3.96 1.61 0.99 0.10 -1.60 117.46 116.85 3h6s n PHE 77 Ca 0.00 0.20 -0.09 0.00 -0.00 0.00 0.00 57.45 57.56 3h6s n PHE 77 Cb 0.00 -2.57 -0.09 0.00 -1.00 0.00 0.00 39.48 35.82 3h6s n PHE 77 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3h6s s SER 78 N 1.95 0.26 0.08 4.37 0.15 -1.26 -1.23 113.70 118.01 3h6s s SER 78 Ca 0.84 -0.68 -0.08 0.00 0.70 0.00 0.00 55.95 56.73 3h6s s SER 78 Cb -0.70 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 63.83 3h6s s SER 78 CO 0.43 -0.56 0.16 -0.72 1.20 0.00 0.00 173.24 173.75 3h6s s TYR 79 N -3.13 0.19 0.00 3.44 1.13 -1.26 -4.64 117.35 113.08 3h6s s TYR 79 Ca -0.01 -0.61 0.00 0.00 -1.41 0.00 0.00 57.07 55.04 3h6s s TYR 79 Cb 0.02 -0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 3h6s s TYR 79 CO -0.07 -0.50 0.00 -3.47 -2.51 0.00 0.00 175.55 169.00 3h6s n ASP 80 N 0.07 0.00 -2.82 -0.18 2.03 -1.26 -4.98 116.55 109.41 3h6s n ASP 80 Ca -0.15 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.06 3h6s n ASP 80 Cb 0.62 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.08 3h6s n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h6s n GLN 81 N 0.00 -0.05 0.00 -0.67 1.13 -1.26 -5.27 117.38 111.26 3h6s n GLN 81 Ca 0.00 -0.88 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 3h6s n GLN 81 Cb 0.00 -0.37 0.00 0.00 0.11 0.00 0.00 30.24 29.98 3h6s n GLN 81 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3h6s n GLU 83 N -1.85 0.00 -1.64 -1.09 0.28 -1.26 -4.98 120.64 110.10 3h6s n GLU 83 Ca 0.06 0.00 -0.53 0.00 -0.16 0.00 0.00 57.16 56.53 3h6s n GLU 83 Cb 0.21 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.02 3h6s n GLU 83 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3h6s n GLN 84 N -1.41 1.34 -0.88 3.44 -0.06 -1.26 -0.63 117.38 117.92 3h6s n GLN 84 Ca 0.00 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 3h6s n GLN 84 Cb 0.00 -2.17 0.00 0.00 -4.06 0.00 0.00 30.24 24.01 3h6s n GLN 84 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3h6s n ASN 85 N 3.86 -1.73 -4.74 1.69 3.02 -0.19 -4.99 115.26 112.18 3h6s n ASN 85 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 3h6s n ASN 85 Cb 0.19 -1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.04 3h6s n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h6s n ALA 86 N 1.00 1.90 -1.77 5.41 0.00 0.19 -4.63 120.51 122.61 3h6s n ALA 86 Ca 0.00 0.36 -0.37 0.00 0.00 0.00 0.00 53.44 53.42 3h6s n ALA 86 Cb 0.08 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 3h6s n ALA 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h6s s PRO 87 N -1.72 4.04 1.07 0.00 0.04 -1.26 -1.04 135.00 136.12 3h6s s PRO 87 Ca 0.56 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 63.11 3h6s s PRO 87 Cb -0.52 -2.56 0.24 0.00 0.04 0.00 0.00 34.50 31.70 3h6s s PRO 87 CO 0.61 -0.29 1.25 0.08 0.04 0.00 0.00 177.00 178.68 3h6s s VAL 88 N -1.54 1.83 -0.55 -0.36 1.01 -0.42 -4.83 120.40 115.54 3h6s s VAL 88 Ca 0.59 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.63 3h6s s VAL 88 Cb -0.26 -2.80 0.22 0.00 0.00 0.00 0.00 36.38 33.54 3h6s s VAL 88 CO 0.33 0.00 0.57 0.00 0.00 0.00 0.00 175.10 176.00 3h6s n ALA 90 N -4.20 3.29 -2.54 5.51 0.00 -0.85 -0.95 120.51 120.77 3h6s n ALA 90 Ca 0.15 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.52 3h6s n ALA 90 Cb 0.59 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3h6s n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6s n GLY 91 N 1.54 3.60 3.69 0.00 0.00 -0.62 -0.34 105.19 113.05 3h6s n GLY 91 Ca 0.25 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3h6s n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h6s s ASP 92 N 0.08 6.78 -0.02 1.61 1.01 -1.26 -1.06 116.67 123.81 3h6s s ASP 92 Ca 0.00 2.19 -0.36 0.00 0.71 0.00 0.00 52.55 55.09 3h6s s ASP 92 Cb 0.00 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.23 3h6s s ASP 92 CO 0.00 -0.77 1.63 -2.65 0.21 0.00 0.00 175.17 173.58 3h6s n PRO 93 N 5.59 1.67 -3.07 8.23 -0.02 -1.26 -4.58 135.00 141.55 3h6s n PRO 93 Ca 0.14 0.61 -0.20 0.00 -2.02 0.00 0.00 63.50 62.03 3h6s n PRO 93 Cb 0.43 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.63 3h6s n PRO 93 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h6s s LYS 94 N 2.15 2.31 -0.06 -0.52 -0.14 -0.36 -4.99 119.74 118.13 3h6s s LYS 94 Ca 0.88 -1.66 -0.04 0.00 -1.36 0.00 0.00 55.97 53.80 3h6s s LYS 94 Cb -0.84 -2.63 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 3h6s s LYS 94 CO 0.50 -0.85 0.11 -1.21 -0.76 0.00 0.00 175.35 173.15 3h6s s GLU 95 N -4.65 3.28 0.12 1.68 2.02 -1.26 -4.34 118.70 115.55 3h6s s GLU 95 Ca 0.61 -0.31 0.04 0.00 0.02 0.00 0.00 54.97 55.33 3h6s s GLU 95 Cb -0.06 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 3h6s s GLU 95 CO 0.38 0.71 -0.10 0.71 0.02 0.00 0.00 175.26 176.98 3h6s s TYR 96 N -1.12 1.17 -0.32 1.61 1.51 0.14 -4.33 117.35 116.01 3h6s s TYR 96 Ca 0.20 -0.70 -0.16 0.00 -1.01 0.00 0.00 57.07 55.40 3h6s s TYR 96 Cb -0.12 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 3h6s s TYR 96 CO 0.10 0.04 0.41 0.42 -1.11 0.00 0.00 175.55 175.41 3h6s s ILE 97 N -2.79 5.12 -0.53 2.71 1.01 0.48 -0.79 121.20 126.41 3h6s s ILE 97 Ca 0.10 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 3h6s s ILE 97 Cb -0.01 -3.83 0.06 0.00 0.01 0.00 0.00 42.46 38.69 3h6s s ILE 97 CO 0.00 -0.06 0.71 -0.76 0.00 0.00 0.00 174.94 174.83 3h6s s LEU 98 N 2.15 4.82 -0.26 2.97 1.02 -1.26 -0.82 118.68 127.29 3h6s s LEU 98 Ca 0.15 -0.86 -0.08 0.00 0.02 0.00 0.00 54.13 53.35 3h6s s LEU 98 Cb -0.16 -2.50 -0.03 0.00 0.02 0.00 0.00 46.19 43.52 3h6s s LEU 98 CO 0.12 -1.00 0.10 -1.58 0.02 0.00 0.00 176.35 174.00 3h6s s GLN 99 N 2.94 3.68 0.23 1.70 0.74 -0.35 -3.85 119.66 124.75 3h6s s GLN 99 Ca 0.18 -0.47 -0.32 0.00 0.05 0.00 0.00 55.36 54.80 3h6s s GLN 99 Cb -0.18 -3.41 -0.12 0.00 1.10 0.00 0.00 33.01 30.40 3h6s s GLN 99 CO 0.13 -0.21 1.70 -0.11 -0.55 0.00 0.00 175.29 176.25 3h6s n LEU 100 N 4.95 4.12 -4.71 3.68 7.94 -1.26 -0.85 117.00 130.88 3h6s n LEU 100 Ca -0.16 1.08 -0.39 0.00 -1.11 0.00 0.00 56.01 55.43 3h6s n LEU 100 Cb 0.51 -1.58 -0.05 0.00 0.53 0.00 0.00 43.42 42.83 3h6s n LEU 100 CO 0.31 0.20 0.35 0.68 -1.11 0.00 0.00 177.39 177.82 3h6s s VAL 101 N 0.90 5.07 0.18 1.96 -7.23 0.11 -4.16 120.40 117.23 3h6s s VAL 101 Ca 0.72 1.29 -0.32 0.00 -1.81 0.00 0.00 61.98 61.87 3h6s s VAL 101 Cb -0.50 -3.97 -0.16 0.00 0.56 0.00 0.00 36.38 32.31 3h6s s VAL 101 CO 0.36 0.23 1.03 -2.65 -0.31 0.00 0.00 175.10 173.77 3h6s n PRO 102 N 4.04 0.93 -1.09 4.82 -0.02 -1.26 -2.64 135.00 139.78 3h6s n PRO 102 Ca -0.02 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.76 3h6s n PRO 102 Cb 0.51 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 3h6s n PRO 102 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3h6s n SER 103 N 1.83 -3.26 -4.01 2.55 7.64 -1.26 -5.02 113.62 112.10 3h6s n SER 103 Ca 0.15 0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 3h6s n SER 103 Cb 0.25 -1.00 -0.11 0.00 -1.01 0.00 0.00 64.21 62.33 3h6s n SER 103 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3h6s s THR 104 N -2.09 0.28 -0.04 0.44 2.01 -1.08 -5.06 115.64 110.11 3h6s s THR 104 Ca 0.00 -0.94 0.19 0.00 0.31 0.00 0.00 61.69 61.26 3h6s s THR 104 Cb 0.00 -0.39 -0.30 0.00 0.01 0.00 0.00 72.50 71.82 3h6s s THR 104 CO 0.00 -0.43 0.40 0.35 -0.69 0.00 0.00 174.62 174.26 3h6s n THR 105 N 1.62 0.09 -1.81 -0.82 -2.24 -1.26 -4.76 114.28 105.10 3h6s n THR 105 Ca -0.23 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3h6s n THR 105 Cb 0.55 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3h6s n THR 105 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h6s n ASP 106 N -2.21 0.08 -4.56 3.42 3.85 -1.26 -5.05 116.55 110.82 3h6s n ASP 106 Ca -0.05 -1.88 -0.36 0.00 -0.71 0.00 0.00 54.79 51.79 3h6s n ASP 106 Cb 0.55 -0.18 -0.11 0.00 -1.35 0.00 0.00 41.12 40.04 3h6s n ASP 106 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3h6s s VAL 107 N -0.09 4.67 -0.01 2.12 1.01 -1.26 -0.74 120.40 126.09 3h6s s VAL 107 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3h6s s VAL 107 Cb 0.01 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3h6s s VAL 107 CO 0.00 0.39 -0.17 -0.31 0.00 0.00 0.00 175.10 175.01 3h6s s TYR 108 N 1.02 1.53 -0.09 5.22 2.02 0.13 0.07 117.35 127.26 3h6s s TYR 108 Ca 0.04 -0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.19 3h6s s TYR 108 Cb -0.14 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 3h6s s TYR 108 CO 0.03 -0.02 0.85 0.42 -1.57 0.00 0.00 175.55 175.26 3h6s s ILE 109 N -0.42 4.92 -0.52 2.71 1.01 -0.03 -0.05 121.20 128.81 3h6s s ILE 109 Ca 0.06 1.73 -0.19 0.00 0.00 0.00 0.00 60.65 62.26 3h6s s ILE 109 Cb -0.07 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.29 3h6s s ILE 109 CO -0.01 0.12 0.63 -0.63 0.00 0.00 0.00 174.94 175.05 3h6s s ILE 110 N 1.46 4.88 0.02 2.92 1.01 -1.26 -1.21 121.20 129.02 3h6s s ILE 110 Ca 0.43 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 3h6s s ILE 110 Cb -0.18 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 3h6s s ILE 110 CO 0.19 -0.85 0.13 -0.13 0.00 0.00 0.00 174.94 174.28 3h6s s ARG 111 N 2.59 3.20 0.13 2.79 0.52 -0.00 -0.52 118.95 127.66 3h6s s ARG 111 Ca 0.14 -0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 3h6s s ARG 111 Cb -0.20 -2.93 -0.06 0.00 0.52 0.00 0.00 34.95 32.27 3h6s s ARG 111 CO 0.11 0.63 0.92 0.00 0.02 0.00 0.00 175.30 176.98 3h6s s ALA 112 N -1.32 3.29 -1.10 2.13 0.00 -0.01 -0.39 121.76 124.36 3h6s s ALA 112 Ca 0.27 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 3h6s s ALA 112 Cb -0.12 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 3h6s s ALA 112 CO 0.19 0.05 1.93 -2.30 0.00 0.00 0.00 175.76 175.63 3h6s n PRO 113 N 2.49 1.54 -0.81 0.00 -0.02 -1.26 -4.56 135.00 132.38 3h6s n PRO 113 Ca 0.00 -2.34 0.01 0.00 -2.02 0.00 0.00 63.50 59.16 3h6s n PRO 113 Cb 0.49 -3.58 0.01 0.00 -0.02 0.00 0.00 33.50 30.39 3h6s n PRO 113 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3h6s n ILE 114 N 7.51 0.03 0.25 4.25 0.13 -1.26 -4.90 119.36 125.37 3h6s n ILE 114 Ca 0.46 -0.35 0.11 0.00 -1.10 0.00 0.00 62.75 61.86 3h6s n ILE 114 Cb 0.45 0.65 0.67 0.00 -0.84 0.00 0.00 39.64 40.57 3h6s n ILE 114 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 3h6s h GLN 115 N 0.32 0.00 0.00 9.51 7.50 -1.80 -2.43 115.11 128.21 3h6s h GLN 115 Ca -0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.08 3h6s h GLN 115 Cb 1.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.08 3h6s h GLN 115 CO 0.03 0.14 0.00 0.54 -1.50 0.00 0.00 178.83 178.04 3h6s n ARG 116 N -3.79 0.11 0.18 1.46 1.74 -1.26 -1.23 116.66 113.86 3h6s n ARG 116 Ca -0.02 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.31 3h6s n ARG 116 Cb 0.25 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.35 3h6s n ARG 116 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3h6s h VAL 117 N 0.00 0.56 0.00 1.55 2.07 -1.84 -3.48 116.25 115.11 3h6s h VAL 117 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3h6s h VAL 117 Cb 0.22 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3h6s h VAL 117 CO 0.00 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.50 3h6s n GLY 118 N 0.95 0.75 3.24 2.17 0.00 -0.37 -5.08 105.19 106.85 3h6s n GLY 118 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3h6s n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h6s s VAL 119 N -2.15 1.07 -0.23 1.61 -7.23 -1.26 -4.46 120.40 107.73 3h6s s VAL 119 Ca 0.00 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 3h6s s VAL 119 Cb 0.00 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 3h6s s VAL 119 CO 0.00 -0.72 0.13 -1.81 -0.31 0.00 0.00 175.10 172.39 3h6s s ASP 120 N -3.16 5.87 -0.16 4.85 1.01 -0.54 -4.45 116.67 120.09 3h6s s ASP 120 Ca 0.17 0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.49 3h6s s ASP 120 Cb 0.03 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.92 3h6s s ASP 120 CO 0.01 0.06 -0.21 -0.69 0.21 0.00 0.00 175.17 174.55 3h6s s VAL 121 N 1.09 2.10 0.09 -1.27 1.01 -1.26 0.10 120.40 122.26 3h6s s VAL 121 Ca 0.06 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3h6s s VAL 121 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3h6s s VAL 121 CO 0.04 0.54 -0.11 -1.61 0.00 0.00 0.00 175.10 173.96 3h6s s GLU 122 N 1.03 0.81 -0.15 2.72 2.02 -0.30 -0.83 118.70 124.01 3h6s s GLU 122 Ca -0.02 -1.06 -0.29 0.00 0.02 0.00 0.00 54.97 53.62 3h6s s GLU 122 Cb -0.14 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.47 3h6s s GLU 122 CO -0.07 0.11 1.09 0.08 0.02 0.00 0.00 175.26 176.49 3h6s s VAL 123 N -1.96 4.59 0.00 2.63 1.01 0.32 0.06 120.40 127.05 3h6s s VAL 123 Ca 0.02 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3h6s s VAL 123 Cb -0.06 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3h6s s VAL 123 CO 0.01 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3h6s n GLY 124 N 3.29 6.18 2.83 4.51 0.00 0.22 -4.65 105.19 117.56 3h6s n GLY 124 Ca 0.11 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 3h6s n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h6s s VAL 125 N 0.82 -0.04 -0.20 1.61 1.01 -1.26 -0.44 120.40 121.90 3h6s s VAL 125 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3h6s s VAL 125 Cb 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 36.38 36.35 3h6s s VAL 125 CO 0.00 0.05 -0.07 -1.58 0.00 0.00 0.00 175.10 173.50 3h6s s GLN 126 N 0.68 1.73 7.14 2.72 0.74 0.26 -4.88 119.66 128.05 3h6s s GLN 126 Ca -0.06 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.55 3h6s s GLN 126 Cb -0.08 -2.37 0.00 0.00 1.10 0.00 0.00 33.01 31.66 3h6s s GLN 126 CO -0.02 -0.49 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 3h6s n GLY 127 N 4.73 2.43 0.20 2.59 0.00 -1.26 -1.34 105.19 112.54 3h6s n GLY 127 Ca -0.13 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3h6s n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h6s n ASN 128 N 9.78 2.39 -4.42 1.61 4.13 -1.26 -4.94 115.26 122.55 3h6s n ASN 128 Ca 0.00 -3.18 -0.33 0.00 1.68 0.00 0.00 54.58 52.74 3h6s n ASN 128 Cb 0.00 -0.45 -0.13 0.00 -1.54 0.00 0.00 39.78 37.65 3h6s n ASN 128 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3h6s s ASN 129 N -2.85 4.35 0.15 6.41 -0.87 -0.45 -0.21 114.94 121.47 3h6s s ASN 129 Ca 0.34 -0.24 -0.31 0.00 -1.57 0.00 0.00 52.86 51.07 3h6s s ASN 129 Cb 0.30 -1.69 -0.09 0.00 -0.02 0.00 0.00 41.25 39.75 3h6s s ASN 129 CO 0.02 0.17 1.43 -0.76 -2.57 0.00 0.00 177.10 175.39 3h6s s LEU 130 N 0.37 4.38 0.18 0.60 1.02 -0.78 -0.57 118.68 123.87 3h6s s LEU 130 Ca -0.08 2.44 -0.00 0.00 0.02 0.00 0.00 54.13 56.50 3h6s s LEU 130 Cb -0.15 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.42 3h6s s LEU 130 CO 0.04 -0.68 0.09 0.68 0.02 0.00 0.00 176.35 176.50 3h6s s VAL 131 N 0.89 0.17 -0.15 -1.59 -7.23 0.42 -1.30 120.40 111.61 3h6s s VAL 131 Ca 0.64 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 3h6s s VAL 131 Cb -0.39 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 3h6s s VAL 131 CO 0.33 -0.19 0.78 -0.31 -0.31 0.00 0.00 175.10 175.40 3h6s s TYR 132 N -4.03 3.45 -0.11 2.82 1.51 -0.21 0.69 117.35 121.48 3h6s s TYR 132 Ca 0.33 1.22 -0.00 0.00 -1.01 0.00 0.00 57.07 57.60 3h6s s TYR 132 Cb 0.07 -2.95 -0.02 0.00 -0.11 0.00 0.00 41.96 38.95 3h6s s TYR 132 CO 0.08 -0.16 -0.09 0.15 -1.11 0.00 0.00 175.55 174.42 3h6s s LYS 133 N 1.83 3.20 -0.11 -0.62 -0.14 0.11 -1.03 119.74 122.98 3h6s s LYS 133 Ca 0.37 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 54.26 3h6s s LYS 133 Cb -0.17 -2.66 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 3h6s s LYS 133 CO 0.14 0.38 0.25 -0.06 -0.76 0.00 0.00 175.35 175.29 3h6s s PHE 134 N -0.05 3.56 -0.01 3.18 2.99 -1.26 -1.15 117.98 125.24 3h6s s PHE 134 Ca -0.01 0.63 0.01 0.00 0.00 0.00 0.00 56.93 57.56 3h6s s PHE 134 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 43.02 40.72 3h6s s PHE 134 CO 0.03 0.51 -0.04 -0.06 -0.00 0.00 0.00 175.22 175.66 3h6s s PHE 135 N -0.42 0.43 0.29 0.36 0.40 0.12 -4.99 117.98 114.16 3h6s s PHE 135 Ca 0.17 -0.08 -0.29 0.00 -0.60 0.00 0.00 56.93 56.12 3h6s s PHE 135 Cb -0.13 -0.31 -0.10 0.00 0.51 0.00 0.00 43.02 42.99 3h6s s PHE 135 CO 0.05 -0.03 1.28 -2.14 0.70 0.00 0.00 175.22 175.08 3h6s s PRO 136 N 0.09 4.41 -0.17 0.24 0.02 -1.26 -1.47 135.00 136.85 3h6s s PRO 136 Ca -0.01 2.12 -0.25 0.00 0.02 0.00 0.00 61.00 62.88 3h6s s PRO 136 Cb -0.04 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3h6s s PRO 136 CO -0.00 -0.15 0.83 0.08 -0.33 0.00 0.00 177.00 177.43 3h6s s VAL 137 N -0.81 4.88 0.00 3.83 1.01 -1.26 -4.84 120.40 123.22 3h6s s VAL 137 Ca 0.50 1.62 0.00 0.00 0.00 0.00 0.00 61.98 64.11 3h6s s VAL 137 Cb -0.38 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 31.87 3h6s s VAL 137 CO 0.47 0.03 0.00 0.47 0.00 0.00 0.00 175.10 176.07 3h6s n ASP 138 N 5.24 0.00 -0.67 3.32 10.43 -1.26 -5.08 116.55 128.53 3h6s n ASP 138 Ca 0.04 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.44 3h6s n ASP 138 Cb 0.49 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.50 3h6s n ASP 138 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h6s n GLY 139 N 2.98 1.93 3.63 0.44 0.00 -1.26 -4.99 105.19 107.92 3h6s n GLY 139 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 3h6s n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h6s s SER 140 N -1.83 -0.80 0.81 1.61 0.01 -1.26 -5.17 113.70 107.08 3h6s s SER 140 Ca 0.18 1.25 -0.01 0.00 1.31 0.00 0.00 55.95 58.68 3h6s s SER 140 Cb 0.19 1.42 0.02 0.00 0.21 0.00 0.00 66.02 67.85 3h6s s SER 140 CO -0.04 -0.19 0.10 0.61 0.41 0.00 0.00 173.24 174.13 3h6s n GLY 141 N 4.24 -0.54 0.00 3.44 0.00 -1.26 -5.09 105.19 105.99 3h6s n GLY 141 Ca -0.18 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3h6s n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6s n GLY 142 N 4.29 0.17 2.95 -0.02 0.00 -1.26 -5.06 105.19 106.26 3h6s n GLY 142 Ca 0.01 0.65 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 3h6s n GLY 142 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h6s n ASP 143 N 0.00 -5.65 -4.19 1.61 2.03 -1.26 -5.05 116.55 104.03 3h6s n ASP 143 Ca 0.00 1.01 -0.16 0.00 0.52 0.00 0.00 54.79 56.16 3h6s n ASP 143 Cb 0.00 -2.80 -0.11 0.00 -0.72 0.00 0.00 41.12 37.49 3h6s n ASP 143 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3h6s s ARG 144 N -0.47 0.89 0.36 -0.67 1.81 -1.26 -4.95 118.95 114.66 3h6s s ARG 144 Ca -0.07 -1.16 -0.25 0.00 -1.72 0.00 0.00 55.73 52.53 3h6s s ARG 144 Cb 0.00 -0.67 -0.09 0.00 -0.45 0.00 0.00 34.95 33.74 3h6s s ARG 144 CO 0.27 0.12 1.01 -1.25 -0.68 0.00 0.00 175.30 174.77 3h6s s PRO 145 N -2.63 4.37 0.26 3.54 0.04 -1.26 -0.93 135.00 138.39 3h6s s PRO 145 Ca 0.05 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 3h6s s PRO 145 Cb -0.04 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 3h6s s PRO 145 CO 0.01 0.05 0.29 0.00 0.04 0.00 0.00 177.00 177.40 3h6s s ALA 146 N -1.62 0.92 -0.04 8.56 0.00 -0.56 -4.69 121.76 124.33 3h6s s ALA 146 Ca 0.54 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 3h6s s ALA 146 Cb -0.21 1.30 0.03 0.00 0.00 0.00 0.00 23.12 24.24 3h6s s ALA 146 CO 0.27 -0.70 0.04 -1.58 0.00 0.00 0.00 175.76 173.79 3h6s s TRP 147 N -3.80 0.11 -0.36 0.00 0.52 0.93 -0.93 118.94 115.41 3h6s s TRP 147 Ca 0.34 0.17 -0.23 0.00 0.02 0.00 0.00 56.10 56.40 3h6s s TRP 147 Cb 0.03 -0.43 0.01 0.00 -1.15 0.00 0.00 33.47 31.93 3h6s s TRP 147 CO 0.16 -0.17 0.79 0.50 0.02 0.00 0.00 176.95 178.25 3h6s s ARG 148 N 1.76 3.76 -0.37 4.98 3.52 -0.40 0.22 118.95 132.42 3h6s s ARG 148 Ca -0.00 0.33 -0.24 0.00 -0.13 0.00 0.00 55.73 55.69 3h6s s ARG 148 Cb -0.12 -3.81 0.01 0.00 -1.56 0.00 0.00 34.95 29.47 3h6s s ARG 148 CO -0.03 -0.85 0.83 -0.06 -0.81 0.00 0.00 175.30 174.38 3h6s s PHE 149 N 3.11 3.09 -0.28 5.12 0.40 0.09 -1.08 117.98 128.43 3h6s s PHE 149 Ca 0.32 0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 57.19 3h6s s PHE 149 Cb -0.13 -3.50 0.02 0.00 0.51 0.00 0.00 43.02 39.92 3h6s s PHE 149 CO 0.17 -0.78 0.00 0.95 0.70 0.00 0.00 175.22 176.26 3h6s s THR 150 N 3.23 3.30 -0.10 0.64 -4.23 -0.33 -4.89 115.64 113.26 3h6s s THR 150 Ca 0.33 -0.97 -0.34 0.00 -1.18 0.00 0.00 61.69 59.53 3h6s s THR 150 Cb -0.13 -2.73 -0.11 0.00 1.34 0.00 0.00 72.50 70.87 3h6s s THR 150 CO 0.18 0.10 1.91 -1.14 -0.54 0.00 0.00 174.62 175.13 3h6s n ARG 151 N 4.74 2.16 0.00 3.99 3.00 -1.26 -1.78 116.66 127.50 3h6s n ARG 151 Ca -0.15 0.78 0.14 0.00 -0.00 0.00 0.00 57.85 58.62 3h6s n ARG 151 Cb 0.47 -2.68 0.83 0.00 0.00 0.00 0.00 32.46 31.08 3h6s n ARG 151 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02