#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7y h ILE 17 N 0.00 1.63 -3.41 -0.61 2.04 -1.98 -3.45 117.51 111.73 1n7y h ILE 17 Ca 0.00 -3.09 -0.53 0.00 1.00 0.00 0.00 64.86 62.24 1n7y h ILE 17 Cb 0.00 2.70 0.07 0.00 -0.74 0.00 0.00 36.82 38.85 1n7y h ILE 17 CO 0.00 0.89 0.82 -0.89 0.00 0.00 0.00 178.15 178.97 1n7y s THR 18 N -2.91 2.31 -3.51 -0.27 2.01 -1.26 -4.77 115.64 107.24 1n7y s THR 18 Ca -0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1n7y s THR 18 Cb 0.10 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1n7y s THR 18 CO 0.82 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1n7y n GLY 19 N 2.01 0.85 3.51 4.40 0.00 0.23 -4.97 105.19 111.21 1n7y n GLY 19 Ca 0.07 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 1n7y n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n7y s THR 20 N -2.06 4.00 0.08 2.61 2.01 -1.26 0.15 115.64 121.17 1n7y s THR 20 Ca 0.00 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1n7y s THR 20 Cb 0.00 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1n7y s THR 20 CO 0.00 0.48 -0.18 0.26 -0.69 0.00 0.00 174.62 174.49 1n7y s TRP 21 N 0.45 1.55 -0.05 4.92 0.52 -0.28 -4.46 118.94 121.59 1n7y s TRP 21 Ca -0.03 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.71 1n7y s TRP 21 Cb -0.14 -0.87 -0.00 0.00 -1.15 0.00 0.00 33.47 31.31 1n7y s TRP 21 CO 0.02 0.13 -0.17 0.71 0.02 0.00 0.00 176.95 177.66 1n7y s TYR 22 N -1.14 1.73 0.38 -1.98 1.51 -0.34 -0.03 117.35 117.48 1n7y s TYR 22 Ca 0.03 -0.51 -0.23 0.00 -1.01 0.00 0.00 57.07 55.34 1n7y s TYR 22 Cb -0.10 -1.17 -0.10 0.00 -0.11 0.00 0.00 41.96 40.48 1n7y s TYR 22 CO 0.03 -0.18 0.96 -2.00 -1.11 0.00 0.00 175.55 173.25 1n7y s GLU 23 N 0.08 4.36 0.00 -0.62 -6.30 0.52 -2.23 118.70 114.52 1n7y s GLU 23 Ca -0.05 1.26 0.05 0.00 -2.50 0.00 0.00 54.97 53.73 1n7y s GLU 23 Cb -0.12 -2.48 0.32 0.00 0.00 0.00 0.00 34.13 31.85 1n7y s GLU 23 CO 0.02 0.08 0.71 0.00 0.02 0.00 0.00 175.26 176.10 1n7y n GLN 24 N -0.07 0.36 0.00 4.30 10.64 -1.04 -2.94 117.38 128.63 1n7y n GLN 24 Ca 0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1n7y n GLN 24 Cb 0.52 -1.23 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 1n7y n GLN 24 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1n7y n LEU 25 N -0.73 0.00 0.00 2.61 4.77 -1.26 -5.07 117.00 117.31 1n7y n LEU 25 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1n7y n LEU 25 Cb 0.02 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1n7y n LEU 25 CO 0.03 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.32 1n7y n GLY 26 N 3.06 0.47 3.90 -0.72 0.00 -1.15 -5.15 105.19 105.60 1n7y n GLY 26 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1n7y n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n7y s SER 27 N 0.00 4.91 -0.02 1.61 0.01 -1.26 -4.81 113.70 114.14 1n7y s SER 27 Ca 0.00 0.87 -0.01 0.00 1.31 0.00 0.00 55.95 58.12 1n7y s SER 27 Cb 0.00 -1.51 0.02 0.00 0.21 0.00 0.00 66.02 64.74 1n7y s SER 27 CO 0.00 -1.64 0.04 -0.89 0.41 0.00 0.00 173.24 171.16 1n7y s THR 28 N -3.44 -0.03 0.02 1.44 2.01 -1.10 -0.35 115.64 114.18 1n7y s THR 28 Ca 0.60 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1n7y s THR 28 Cb -0.11 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 1n7y s THR 28 CO 0.49 0.05 -0.07 0.72 -0.69 0.00 0.00 174.62 175.13 1n7y s PHE 29 N 0.64 0.59 -0.25 4.92 -0.12 0.96 -0.27 117.98 124.45 1n7y s PHE 29 Ca -0.05 -0.28 -0.09 0.00 -0.05 0.00 0.00 56.93 56.46 1n7y s PHE 29 Cb -0.07 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 1n7y s PHE 29 CO -0.02 -0.04 0.13 0.42 -0.05 0.00 0.00 175.22 175.66 1n7y s ILE 30 N -0.70 4.99 0.12 -4.49 -1.09 0.47 -1.13 121.20 119.37 1n7y s ILE 30 Ca -0.03 0.05 0.10 0.00 -2.23 0.00 0.00 60.65 58.54 1n7y s ILE 30 Cb -0.06 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1n7y s ILE 30 CO 0.00 0.33 -0.25 0.68 -1.23 0.00 0.00 174.94 174.47 1n7y s VAL 31 N 1.31 2.07 -0.12 2.92 -7.23 0.12 -1.49 120.40 117.98 1n7y s VAL 31 Ca 0.06 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1n7y s VAL 31 Cb -0.15 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.96 1n7y s VAL 31 CO 0.06 0.06 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.80 1n7y s THR 32 N -1.07 1.98 -0.29 5.32 2.01 -0.14 0.75 115.64 124.20 1n7y s THR 32 Ca 0.11 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 1n7y s THR 32 Cb -0.10 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1n7y s THR 32 CO 0.05 0.54 0.10 0.00 -0.69 0.00 0.00 174.62 174.62 1n7y s ALA 33 N 0.69 3.16 0.28 7.40 0.00 -1.26 -1.36 121.76 130.66 1n7y s ALA 33 Ca -0.11 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.23 1n7y s ALA 33 Cb -0.16 -2.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 1n7y s ALA 33 CO 0.01 -0.81 0.92 0.20 0.00 0.00 0.00 175.76 176.09 1n7y s GLY 34 N 1.57 2.93 0.58 0.00 0.00 0.13 -4.92 107.32 107.60 1n7y s GLY 34 Ca 0.04 0.54 0.30 0.00 0.00 0.00 0.00 44.72 45.60 1n7y s GLY 34 CO 0.04 1.03 1.82 0.00 0.00 0.00 0.00 173.10 176.00 1n7y h ALA 35 N 3.65 2.41 -1.20 3.20 0.00 -1.99 -0.31 119.26 125.03 1n7y h ALA 35 Ca -0.46 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.84 1n7y h ALA 35 Cb 1.20 0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.62 1n7y h ALA 35 CO 0.66 -0.94 -0.61 -3.47 0.00 0.00 0.00 179.25 174.89 1n7y n ASP 36 N -3.75 5.04 0.00 0.00 4.64 -1.26 -4.93 116.55 116.29 1n7y n ASP 36 Ca 0.12 -3.74 0.00 0.00 -1.38 0.00 0.00 54.79 49.80 1n7y n ASP 36 Cb 0.84 -0.47 0.00 0.00 -1.04 0.00 0.00 41.12 40.46 1n7y n ASP 36 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1n7y n GLY 37 N -0.58 0.64 3.80 0.27 0.00 -0.13 -4.96 105.19 104.23 1n7y n GLY 37 Ca 0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 1n7y n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7y s ALA 38 N -2.00 3.33 -0.18 4.61 0.00 -1.23 -0.37 121.76 125.91 1n7y s ALA 38 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1n7y s ALA 38 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1n7y s ALA 38 CO 0.00 0.26 -0.18 -0.51 0.00 0.00 0.00 175.76 175.33 1n7y s LEU 39 N -1.92 2.24 0.05 0.00 1.02 0.05 0.19 118.68 120.32 1n7y s LEU 39 Ca 0.45 -0.61 0.02 0.00 0.02 0.00 0.00 54.13 54.02 1n7y s LEU 39 Cb -0.18 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 1n7y s LEU 39 CO 0.23 0.00 -0.08 0.42 0.02 0.00 0.00 176.35 176.94 1n7y s THR 40 N 1.28 0.58 -5.00 5.49 -4.23 -0.47 -0.82 115.64 112.47 1n7y s THR 40 Ca 0.04 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1n7y s THR 40 Cb -0.13 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 72.98 1n7y s THR 40 CO -0.11 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1n7y n GLY 41 N 1.32 -0.31 3.18 3.99 0.00 -1.13 -0.97 105.19 111.28 1n7y n GLY 41 Ca -0.22 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1n7y n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n7y s THR 42 N -3.69 0.06 -0.23 2.61 -1.32 -0.56 -1.48 115.64 111.03 1n7y s THR 42 Ca 0.00 -0.50 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 1n7y s THR 42 Cb 0.00 -0.52 -0.02 0.00 -1.51 0.00 0.00 72.50 70.45 1n7y s THR 42 CO 0.00 -0.27 0.02 -0.47 -2.21 0.00 0.00 174.62 171.68 1n7y s TYR 43 N -1.18 3.03 0.39 9.09 6.14 -0.42 -0.40 117.35 134.01 1n7y s TYR 43 Ca -0.12 -0.61 0.08 0.00 0.64 0.00 0.00 57.07 57.06 1n7y s TYR 43 Cb -0.06 -2.16 -0.02 0.00 0.42 0.00 0.00 41.96 40.14 1n7y s TYR 43 CO 0.03 -0.40 0.37 -1.21 0.64 0.00 0.00 175.55 174.98 1n7y s GLU 44 N 1.45 2.62 0.02 4.97 2.02 0.63 -1.84 118.70 128.57 1n7y s GLU 44 Ca 0.05 -1.44 -0.26 0.00 0.02 0.00 0.00 54.97 53.35 1n7y s GLU 44 Cb -0.15 -2.44 -0.17 0.00 0.10 0.00 0.00 34.13 31.47 1n7y s GLU 44 CO 0.01 -0.12 1.34 0.00 0.02 0.00 0.00 175.26 176.51 1n7y h ALA 50 N 1.05 -0.40 0.00 5.21 0.00 -2.07 -2.92 119.26 120.13 1n7y h ALA 50 Ca -0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1n7y h ALA 50 Cb 1.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1n7y h ALA 50 CO 0.56 -0.59 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1n7y n GLU 51 N -5.15 0.02 -0.22 0.00 1.02 -1.26 -2.83 120.64 112.23 1n7y n GLU 51 Ca -0.10 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1n7y n GLU 51 Cb 0.25 -1.54 0.23 0.00 -0.02 0.00 0.00 31.44 30.36 1n7y n GLU 51 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1n7y n SER 52 N -1.57 3.57 -4.72 1.62 2.88 -1.26 -4.78 113.62 109.36 1n7y n SER 52 Ca 0.04 -2.00 -0.37 0.00 -1.33 0.00 0.00 58.87 55.21 1n7y n SER 52 Cb 0.19 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 1n7y n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n7y s ARG 53 N -1.41 4.28 0.03 -1.46 3.00 -1.13 -4.21 118.95 118.06 1n7y s ARG 53 Ca 0.41 0.21 0.00 0.00 0.00 0.00 0.00 55.73 56.35 1n7y s ARG 53 Cb 0.23 -3.44 -0.03 0.00 0.00 0.00 0.00 34.95 31.72 1n7y s ARG 53 CO 0.32 0.20 -0.04 0.71 0.00 0.00 0.00 175.30 176.49 1n7y s TYR 54 N 0.56 0.42 0.20 -0.53 1.51 -0.77 -4.74 117.35 114.01 1n7y s TYR 54 Ca 0.20 -0.65 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 1n7y s TYR 54 Cb -0.14 -0.29 -0.08 0.00 -0.11 0.00 0.00 41.96 41.34 1n7y s TYR 54 CO 0.06 -0.20 0.87 0.08 -1.11 0.00 0.00 175.55 175.25 1n7y s VAL 55 N -2.05 4.24 0.12 0.71 1.01 -1.26 -1.30 120.40 121.87 1n7y s VAL 55 Ca -0.09 1.92 0.11 0.00 0.00 0.00 0.00 61.98 63.92 1n7y s VAL 55 Cb -0.06 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1n7y s VAL 55 CO -0.03 0.49 -0.26 -1.48 0.00 0.00 0.00 175.10 173.83 1n7y s LEU 56 N -1.05 2.36 0.00 3.92 0.05 -0.55 -4.32 118.68 119.09 1n7y s LEU 56 Ca 0.39 -0.71 -0.07 0.00 0.05 0.00 0.00 54.13 53.79 1n7y s LEU 56 Cb -0.25 -1.27 0.00 0.00 -2.05 0.00 0.00 46.19 42.63 1n7y s LEU 56 CO 0.29 0.19 0.13 0.28 -0.55 0.00 0.00 176.35 176.69 1n7y s THR 57 N -1.05 0.09 0.00 5.48 -1.32 -0.74 -2.85 115.64 115.25 1n7y s THR 57 Ca 0.14 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1n7y s THR 57 Cb -0.10 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1n7y s THR 57 CO 0.06 -0.39 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 1n7y n GLY 58 N 1.43 1.33 3.11 6.08 0.00 0.00 -1.28 105.19 115.87 1n7y n GLY 58 Ca -0.23 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1n7y n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n7y s ARG 59 N -1.56 0.68 0.06 1.61 1.81 -0.90 -0.77 118.95 119.89 1n7y s ARG 59 Ca 0.00 -1.15 -0.07 0.00 -1.72 0.00 0.00 55.73 52.79 1n7y s ARG 59 Cb 0.00 -0.07 -0.01 0.00 -0.45 0.00 0.00 34.95 34.42 1n7y s ARG 59 CO 0.00 -0.04 0.14 1.52 -0.68 0.00 0.00 175.30 176.24 1n7y s TYR 60 N -3.16 0.19 -0.47 -0.53 1.13 0.50 -2.08 117.35 112.93 1n7y s TYR 60 Ca 0.05 -0.56 -0.28 0.00 -1.41 0.00 0.00 57.07 54.87 1n7y s TYR 60 Cb 0.02 -0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1n7y s TYR 60 CO -0.05 -0.45 1.76 0.34 -2.51 0.00 0.00 175.55 174.63 1n7y s ASP 61 N -2.52 5.70 0.00 -0.18 2.15 -0.28 -4.45 116.67 117.09 1n7y s ASP 61 Ca 0.01 0.80 0.20 0.00 0.43 0.00 0.00 52.55 53.98 1n7y s ASP 61 Cb 0.03 -2.53 0.92 0.00 -0.30 0.00 0.00 42.92 41.03 1n7y s ASP 61 CO -0.08 -1.95 1.63 -1.54 -0.17 0.00 0.00 175.17 173.06 1n7y n SER 62 N 11.08 0.93 -3.19 -0.34 3.41 -1.26 -3.99 113.62 120.25 1n7y n SER 62 Ca 0.21 -1.58 -0.24 0.00 -0.26 0.00 0.00 58.87 57.00 1n7y n SER 62 Cb 0.49 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 1n7y n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n7y n ALA 63 N -0.17 2.44 -1.17 7.33 0.00 -1.26 -5.02 120.51 122.65 1n7y n ALA 63 Ca 0.15 -3.41 -0.29 0.00 0.00 0.00 0.00 53.44 49.90 1n7y n ALA 63 Cb 0.21 -0.81 0.18 0.00 0.00 0.00 0.00 19.45 19.03 1n7y n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n7y s PRO 64 N -1.20 0.37 0.94 0.00 0.04 -1.26 -5.00 135.00 128.89 1n7y s PRO 64 Ca 0.35 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 1n7y s PRO 64 Cb 0.17 -1.73 0.16 0.00 0.04 0.00 0.00 34.50 33.13 1n7y s PRO 64 CO -0.11 -2.76 1.12 0.00 0.04 0.00 0.00 177.00 175.28 1n7y s ALA 65 N -2.98 1.26 -0.30 8.56 0.00 -1.26 -4.96 121.76 122.09 1n7y s ALA 65 Ca 0.65 0.40 0.15 0.00 0.00 0.00 0.00 51.96 53.17 1n7y s ALA 65 Cb -0.18 -3.38 0.42 0.00 0.00 0.00 0.00 23.12 19.98 1n7y s ALA 65 CO 0.57 -2.79 1.33 0.25 0.00 0.00 0.00 175.76 175.12 1n7y n THR 66 N -4.24 1.93 0.68 0.00 -2.24 -1.26 -4.61 114.28 104.54 1n7y n THR 66 Ca 0.10 -1.74 0.11 0.00 -2.27 0.00 0.00 64.05 60.25 1n7y n THR 66 Cb 0.53 -0.08 0.27 0.00 -2.10 0.00 0.00 70.33 68.95 1n7y n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n7y n ASP 67 N -0.47 2.70 0.00 3.42 5.68 -1.26 -4.90 116.55 121.71 1n7y n ASP 67 Ca 0.18 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1n7y n ASP 67 Cb 0.74 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1n7y n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n7y n GLY 68 N 1.34 0.22 3.69 6.12 0.00 -1.26 -5.08 105.19 110.22 1n7y n GLY 68 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1n7y n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n7y s SER 69 N -2.41 3.22 0.72 1.61 0.01 -1.26 -5.04 113.70 110.56 1n7y s SER 69 Ca 0.00 2.24 -0.03 0.00 1.31 0.00 0.00 55.95 59.47 1n7y s SER 69 Cb 0.00 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.77 1n7y s SER 69 CO 0.00 -2.91 0.71 0.61 0.41 0.00 0.00 173.24 172.06 1n7y n GLY 70 N 0.26 0.10 3.39 3.44 0.00 -1.26 -4.83 105.19 106.28 1n7y n GLY 70 Ca 0.12 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 1n7y n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n7y s THR 71 N -2.20 4.60 0.31 2.61 2.01 -0.07 -4.77 115.64 118.13 1n7y s THR 71 Ca 0.45 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 1n7y s THR 71 Cb -0.02 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 1n7y s THR 71 CO 0.30 -0.18 1.31 0.00 -0.69 0.00 0.00 174.62 175.36 1n7y s ALA 72 N 1.57 3.51 0.28 7.40 0.00 -1.26 0.03 121.76 133.29 1n7y s ALA 72 Ca 0.03 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 1n7y s ALA 72 Cb -0.19 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1n7y s ALA 72 CO 0.07 -0.61 0.58 -0.48 0.00 0.00 0.00 175.76 175.32 1n7y s LEU 73 N -1.50 0.18 0.13 0.00 0.05 0.34 -1.13 118.68 116.74 1n7y s LEU 73 Ca 0.50 -0.91 -0.23 0.00 0.05 0.00 0.00 54.13 53.54 1n7y s LEU 73 Cb -0.39 2.14 0.06 0.00 -2.05 0.00 0.00 46.19 45.95 1n7y s LEU 73 CO 0.50 -1.27 0.58 -0.83 -0.55 0.00 0.00 176.35 174.78 1n7y s GLY 74 N -3.01 -0.56 0.15 -3.48 0.00 -0.89 -0.70 107.32 98.83 1n7y s GLY 74 Ca 0.19 0.53 -0.22 0.00 0.00 0.00 0.00 44.72 45.22 1n7y s GLY 74 CO 0.10 0.21 0.56 0.66 0.00 0.00 0.00 173.10 174.62 1n7y s TRP 75 N -3.38 -0.47 0.06 1.90 -2.14 -0.14 -2.11 118.94 112.66 1n7y s TRP 75 Ca -0.01 0.24 0.08 0.00 2.66 0.00 0.00 56.10 59.07 1n7y s TRP 75 Cb -0.01 0.50 -0.03 0.00 -3.10 0.00 0.00 33.47 30.83 1n7y s TRP 75 CO -0.10 -0.82 -0.23 0.99 -2.66 0.00 0.00 176.95 174.14 1n7y s THR 76 N -3.76 1.84 -0.09 0.66 2.01 -0.40 -0.77 115.64 115.14 1n7y s THR 76 Ca 0.01 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 60.68 1n7y s THR 76 Cb -0.00 -1.60 0.03 0.00 0.01 0.00 0.00 72.50 70.93 1n7y s THR 76 CO -0.13 0.21 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.28 1n7y s VAL 77 N -0.86 0.70 -0.05 3.82 1.01 -0.70 -1.79 120.40 122.53 1n7y s VAL 77 Ca 0.09 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1n7y s VAL 77 Cb -0.09 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1n7y s VAL 77 CO 0.02 0.31 0.49 0.00 0.00 0.00 0.00 175.10 175.92 1n7y s ALA 78 N 1.68 3.54 -1.44 5.51 0.00 -1.26 -1.13 121.76 128.66 1n7y s ALA 78 Ca 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 1n7y s ALA 78 Cb -0.13 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1n7y s ALA 78 CO -0.05 0.18 2.55 0.91 0.00 0.00 0.00 175.76 179.34 1n7y n TRP 79 N 2.88 2.61 -4.00 0.00 7.02 -0.59 -4.76 117.44 120.59 1n7y n TRP 79 Ca -0.09 -2.93 -0.18 0.00 -1.02 0.00 0.00 57.50 53.28 1n7y n TRP 79 Cb 0.52 -2.12 -0.16 0.00 -2.42 0.00 0.00 31.31 27.12 1n7y n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n7y s LYS 80 N 0.40 0.46 0.00 -0.99 2.20 -1.26 -1.03 119.74 119.52 1n7y s LYS 80 Ca 0.58 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1n7y s LYS 80 Cb 0.17 -0.59 0.00 0.00 -1.51 0.00 0.00 37.83 35.91 1n7y s LYS 80 CO -0.07 -0.11 0.00 0.27 -0.36 0.00 0.00 175.35 175.07 1n7y n ASN 81 N 4.09 0.74 0.00 1.43 0.23 -0.27 -4.75 115.26 116.73 1n7y n ASN 81 Ca -0.26 -0.90 0.12 0.00 -0.53 0.00 0.00 54.58 53.00 1n7y n ASN 81 Cb 0.50 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.78 1n7y n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n7y n ASN 82 N -2.04 0.00 -0.04 0.53 3.02 -1.26 -3.36 115.26 112.10 1n7y n ASN 82 Ca 0.00 0.10 -0.03 0.00 -0.03 0.00 0.00 54.58 54.62 1n7y n ASN 82 Cb 0.00 -0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 38.74 1n7y n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n7y n TYR 83 N -1.35 0.00 -3.81 3.10 4.01 -1.26 -5.08 117.16 112.77 1n7y n TYR 83 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.74 1n7y n TYR 83 Cb 0.22 -0.46 -0.07 0.00 -0.31 0.00 0.00 39.34 38.71 1n7y n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1n7y s ARG 84 N -2.34 0.82 -0.20 -0.72 3.00 -1.21 -5.15 118.95 113.14 1n7y s ARG 84 Ca -0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 55.73 54.89 1n7y s ARG 84 Cb 0.04 0.34 0.10 0.00 0.00 0.00 0.00 34.95 35.43 1n7y s ARG 84 CO 0.43 -0.26 0.33 1.21 0.00 0.00 0.00 175.30 177.01 1n7y s ASN 85 N -2.47 0.41 0.00 0.23 3.84 -1.26 -1.11 114.94 114.57 1n7y s ASN 85 Ca -0.00 0.34 0.26 0.00 0.21 0.00 0.00 52.86 53.67 1n7y s ASN 85 Cb 0.02 0.92 0.69 0.00 -0.55 0.00 0.00 41.25 42.33 1n7y s ASN 85 CO -0.08 -0.28 1.53 0.00 -2.79 0.00 0.00 177.10 175.49 1n7y n ALA 86 N 5.36 2.78 -3.61 1.71 0.00 -0.19 -4.95 120.51 121.61 1n7y n ALA 86 Ca -0.05 -0.50 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 1n7y n ALA 86 Cb 0.50 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.95 1n7y n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n7y n HIS 87 N 0.18 -2.03 -3.65 0.00 8.25 -1.26 -4.86 115.22 111.86 1n7y n HIS 87 Ca 0.15 0.88 -0.09 0.00 -0.26 0.00 0.00 57.72 58.41 1n7y n HIS 87 Cb 0.41 -4.64 -0.02 0.00 1.12 0.00 0.00 29.99 26.86 1n7y n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n7y s SER 88 N -4.34 -0.38 0.02 0.41 1.04 -1.26 -1.25 113.70 107.95 1n7y s SER 88 Ca 0.02 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 1n7y s SER 88 Cb -0.01 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1n7y s SER 88 CO 0.78 -1.10 -0.01 0.00 0.98 0.00 0.00 173.24 173.88 1n7y s ALA 89 N -3.73 0.12 -0.03 5.32 0.00 0.79 -1.55 121.76 122.68 1n7y s ALA 89 Ca 0.07 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.48 1n7y s ALA 89 Cb -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1n7y s ALA 89 CO -0.02 -0.19 -0.20 0.99 0.00 0.00 0.00 175.76 176.34 1n7y s THR 90 N -1.70 1.65 -0.06 0.00 2.01 -0.28 -0.66 115.64 116.59 1n7y s THR 90 Ca -0.14 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.06 1n7y s THR 90 Cb -0.08 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 1n7y s THR 90 CO -0.02 0.47 -0.25 0.42 -0.69 0.00 0.00 174.62 174.55 1n7y s THR 91 N -0.29 2.11 -0.17 -0.82 -4.23 0.86 -1.72 115.64 111.38 1n7y s THR 91 Ca 0.03 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.44 1n7y s THR 91 Cb -0.10 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.95 1n7y s THR 91 CO 0.01 0.57 -0.01 0.26 -0.54 0.00 0.00 174.62 174.91 1n7y s TRP 92 N -0.20 3.07 -0.17 3.99 0.51 0.05 -0.84 118.94 125.35 1n7y s TRP 92 Ca -0.02 -0.25 0.01 0.00 -2.12 0.00 0.00 56.10 53.71 1n7y s TRP 92 Cb -0.13 -2.01 0.02 0.00 -0.81 0.00 0.00 33.47 30.53 1n7y s TRP 92 CO 0.03 -0.04 -0.19 0.45 -0.51 0.00 0.00 176.95 176.69 1n7y s SER 93 N 0.50 3.21 0.00 2.95 0.15 -0.86 -0.97 113.70 118.69 1n7y s SER 93 Ca -0.02 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1n7y s SER 93 Cb -0.14 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1n7y s SER 93 CO 0.02 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1n7y n GLY 94 N 4.50 2.05 3.23 9.45 0.00 0.12 -1.85 105.19 122.68 1n7y n GLY 94 Ca -0.21 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1n7y n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n7y s GLN 95 N 2.07 0.62 -0.06 1.61 -2.07 -0.96 -0.50 119.66 120.36 1n7y s GLN 95 Ca 0.00 -0.12 -0.19 0.00 -1.82 0.00 0.00 55.36 53.23 1n7y s GLN 95 Cb 0.00 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 1n7y s GLN 95 CO 0.00 -0.16 0.52 -0.47 -1.32 0.00 0.00 175.29 173.86 1n7y s TYR 96 N -1.13 3.61 -0.20 9.60 5.04 0.11 -2.24 117.35 132.13 1n7y s TYR 96 Ca -0.12 1.03 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 1n7y s TYR 96 Cb -0.05 -2.55 0.03 0.00 0.35 0.00 0.00 41.96 39.74 1n7y s TYR 96 CO 0.04 0.30 -0.17 0.08 -1.34 0.00 0.00 175.55 174.45 1n7y s VAL 97 N 0.10 2.01 -0.04 3.14 1.01 0.13 -0.89 120.40 125.87 1n7y s VAL 97 Ca 0.28 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1n7y s VAL 97 Cb -0.17 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1n7y s VAL 97 CO 0.13 0.38 0.95 -0.83 0.00 0.00 0.00 175.10 175.74 1n7y s GLY 98 N 1.27 2.73 0.00 4.51 0.00 -1.26 -0.76 107.32 113.81 1n7y s GLY 98 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1n7y s GLY 98 CO -0.11 1.69 0.00 0.61 0.00 0.00 0.00 173.10 175.30 1n7y n GLY 99 N 2.98 1.88 0.12 0.20 0.00 -1.26 -4.94 105.19 104.17 1n7y n GLY 99 Ca 0.06 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 1n7y n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7y h ALA 100 N 2.00 0.24 -2.59 4.61 0.00 -2.06 -3.30 119.26 118.16 1n7y h ALA 100 Ca 0.00 0.04 -0.73 0.00 0.00 0.00 0.00 54.91 54.22 1n7y h ALA 100 Cb 0.00 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 17.57 1n7y h ALA 100 CO 0.00 -0.37 -0.40 -2.00 0.00 0.00 0.00 179.25 176.48 1n7y s GLU 101 N -6.18 2.70 0.20 0.00 2.12 -1.26 -5.07 118.70 111.21 1n7y s GLU 101 Ca -0.13 -1.52 -0.31 0.00 0.36 0.00 0.00 54.97 53.37 1n7y s GLU 101 Cb 0.10 -3.93 -0.11 0.00 0.26 0.00 0.00 34.13 30.45 1n7y s GLU 101 CO 0.69 -1.05 1.61 0.00 -0.54 0.00 0.00 175.26 175.97 1n7y s ALA 102 N 1.48 3.82 0.09 6.30 0.00 -1.25 -4.86 121.76 127.34 1n7y s ALA 102 Ca 0.04 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1n7y s ALA 102 Cb -0.25 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1n7y s ALA 102 CO 0.03 -0.84 -0.08 1.03 0.00 0.00 0.00 175.76 175.90 1n7y s ARG 103 N 0.87 0.78 -0.23 0.00 0.52 0.06 -4.23 118.95 116.71 1n7y s ARG 103 Ca 0.70 -1.17 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1n7y s ARG 103 Cb -0.46 -0.31 0.04 0.00 0.52 0.00 0.00 34.95 34.74 1n7y s ARG 103 CO 0.34 0.02 -0.12 0.42 0.02 0.00 0.00 175.30 175.98 1n7y s ILE 104 N -2.86 2.41 -0.23 1.52 1.01 -0.23 0.21 121.20 123.03 1n7y s ILE 104 Ca 0.06 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.35 1n7y s ILE 104 Cb 0.00 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1n7y s ILE 104 CO -0.02 0.23 0.40 0.20 0.00 0.00 0.00 174.94 175.74 1n7y s ASN 105 N 1.24 6.38 0.16 3.58 0.01 -0.95 -0.46 114.94 124.90 1n7y s ASN 105 Ca -0.01 0.45 0.05 0.00 -0.71 0.00 0.00 52.86 52.64 1n7y s ASN 105 Cb -0.17 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 1n7y s ASN 105 CO -0.07 -0.13 -0.11 0.42 -1.51 0.00 0.00 177.10 175.69 1n7y s THR 106 N 1.64 1.32 0.10 1.60 -4.23 0.54 -2.27 115.64 114.34 1n7y s THR 106 Ca 0.18 -2.10 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1n7y s THR 106 Cb -0.15 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1n7y s THR 106 CO 0.09 -0.71 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.24 1n7y s GLN 107 N -3.71 2.04 0.07 3.99 -0.21 -0.77 -0.98 119.66 120.09 1n7y s GLN 107 Ca 0.18 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.51 1n7y s GLN 107 Cb 0.02 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 1n7y s GLN 107 CO 0.02 0.50 -0.05 1.67 -2.12 0.00 0.00 175.29 175.31 1n7y s TRP 108 N -1.18 0.68 -0.09 0.91 1.48 0.55 -2.02 118.94 119.26 1n7y s TRP 108 Ca 0.20 -0.84 0.01 0.00 -1.06 0.00 0.00 56.10 54.41 1n7y s TRP 108 Cb -0.11 -0.42 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1n7y s TRP 108 CO 0.12 -0.20 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.21 1n7y s LEU 109 N -2.56 1.35 -0.26 -4.66 1.43 -0.02 -1.75 118.68 112.21 1n7y s LEU 109 Ca 0.03 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1n7y s LEU 109 Cb 0.01 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 1n7y s LEU 109 CO -0.05 -0.06 0.03 -0.22 0.23 0.00 0.00 176.35 176.28 1n7y s LEU 110 N 1.31 3.42 -0.15 1.79 2.96 -0.72 -0.09 118.68 127.18 1n7y s LEU 110 Ca -0.03 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1n7y s LEU 110 Cb -0.14 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1n7y s LEU 110 CO -0.04 -0.10 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.95 1n7y s THR 111 N 1.51 3.66 -0.02 3.68 2.01 0.16 -0.17 115.64 126.48 1n7y s THR 111 Ca 0.04 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1n7y s THR 111 Cb -0.16 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1n7y s THR 111 CO 0.01 0.49 0.02 -0.44 -0.69 0.00 0.00 174.62 174.02 1n7y s SER 112 N 0.44 5.30 0.06 3.53 0.01 -0.53 -0.15 113.70 122.36 1n7y s SER 112 Ca -0.05 0.06 -0.31 0.00 1.31 0.00 0.00 55.95 56.96 1n7y s SER 112 Cb -0.15 -1.44 -0.06 0.00 0.21 0.00 0.00 66.02 64.58 1n7y s SER 112 CO 0.03 0.29 1.20 -0.83 0.41 0.00 0.00 173.24 174.34 1n7y s GLY 113 N -1.50 2.41 0.01 3.44 0.00 -0.38 -4.82 107.32 106.47 1n7y s GLY 113 Ca 0.19 0.84 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 1n7y s GLY 113 CO 0.10 2.04 0.02 -0.51 0.00 0.00 0.00 173.10 174.75 1n7y s THR 114 N 1.10 0.08 0.98 0.90 -4.23 -1.26 -4.97 115.64 108.24 1n7y s THR 114 Ca 0.59 -0.67 -0.13 0.00 -1.18 0.00 0.00 61.69 60.30 1n7y s THR 114 Cb -0.29 -0.26 0.18 0.00 1.34 0.00 0.00 72.50 73.47 1n7y s THR 114 CO 0.29 -0.37 1.11 0.42 -0.54 0.00 0.00 174.62 175.53 1n7y s THR 115 N -1.12 1.99 0.25 3.99 -4.23 -1.26 -4.89 115.64 110.37 1n7y s THR 115 Ca -0.12 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.34 1n7y s THR 115 Cb -0.07 -2.57 0.17 0.00 1.34 0.00 0.00 72.50 71.36 1n7y s THR 115 CO -0.00 0.00 1.82 -0.33 -0.54 0.00 0.00 174.62 175.57 1n7y h GLU 116 N -1.81 1.05 0.00 3.99 5.08 -2.03 -2.60 114.58 118.27 1n7y h GLU 116 Ca -0.53 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 57.59 1n7y h GLU 116 Cb 1.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1n7y h GLU 116 CO 0.59 0.86 -0.25 0.00 -1.00 0.00 0.00 179.01 179.21 1n7y h ALA 117 N 1.27 1.32 -0.71 3.43 0.00 -2.07 -1.95 119.26 120.56 1n7y h ALA 117 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n7y h ALA 117 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1n7y h ALA 117 CO -0.02 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.63 1n7y n ASN 118 N -3.85 3.90 0.21 0.00 4.13 -1.00 -4.42 115.26 114.22 1n7y n ASN 118 Ca -0.02 -2.04 0.05 0.00 1.68 0.00 0.00 54.58 54.25 1n7y n ASN 118 Cb 0.34 -0.49 0.51 0.00 -1.54 0.00 0.00 39.78 38.60 1n7y n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n7y h ALA 119 N 4.29 1.74 -0.23 5.41 0.00 -1.06 -1.85 119.26 127.57 1n7y h ALA 119 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1n7y h ALA 119 Cb 1.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1n7y h ALA 119 CO 0.02 0.20 0.16 0.11 0.00 0.00 0.00 179.25 179.74 1n7y h TRP 120 N 0.05 0.01 -0.81 0.00 5.08 -1.80 0.56 115.95 119.04 1n7y h TRP 120 Ca 0.01 0.00 -0.44 0.00 1.08 0.00 0.00 58.89 59.54 1n7y h TRP 120 Cb 0.25 -0.00 -0.25 0.00 -3.00 0.00 0.00 29.16 26.15 1n7y h TRP 120 CO 0.00 0.00 0.42 0.36 -1.28 0.00 0.00 178.44 177.94 1n7y n LYS 121 N -4.47 2.23 0.12 0.12 2.85 -0.70 -4.64 118.16 113.68 1n7y n LYS 121 Ca 0.02 -3.14 0.08 0.00 -1.05 0.00 0.00 58.31 54.22 1n7y n LYS 121 Cb 0.31 -2.09 0.02 0.00 -0.65 0.00 0.00 35.03 32.62 1n7y n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n7y h SER 122 N 1.17 0.00 -3.26 -5.58 4.64 -0.90 -3.47 113.55 106.15 1n7y h SER 122 Ca 0.51 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 61.21 1n7y h SER 122 Cb 2.22 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.97 1n7y h SER 122 CO 0.95 0.18 -0.85 -0.89 -0.87 0.00 0.00 176.83 175.35 1n7y s THR 123 N -3.19 1.71 0.24 2.95 2.01 -1.26 -1.45 115.64 116.65 1n7y s THR 123 Ca 0.01 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 1n7y s THR 123 Cb 0.08 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.00 1n7y s THR 123 CO 0.76 0.48 0.50 -0.76 -0.69 0.00 0.00 174.62 174.92 1n7y s LEU 124 N 0.86 4.13 -0.02 4.42 1.43 0.77 -4.94 118.68 125.34 1n7y s LEU 124 Ca -0.08 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1n7y s LEU 124 Cb -0.15 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1n7y s LEU 124 CO -0.01 -0.11 -0.11 0.54 0.23 0.00 0.00 176.35 176.89 1n7y s VAL 125 N -1.94 0.88 0.00 -1.59 0.11 -1.26 -1.76 120.40 114.84 1n7y s VAL 125 Ca 0.43 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1n7y s VAL 125 Cb -0.11 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1n7y s VAL 125 CO 0.27 0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1n7y n GLY 126 N 2.96 2.76 3.33 6.54 0.00 -0.72 -4.98 105.19 115.09 1n7y n GLY 126 Ca -0.15 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1n7y n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n7y s HIS 127 N -4.93 0.22 0.08 1.61 -3.43 -1.26 -0.33 115.29 107.25 1n7y s HIS 127 Ca 0.00 -0.59 -0.26 0.00 -0.80 0.00 0.00 55.06 53.41 1n7y s HIS 127 Cb 0.00 0.03 0.07 0.00 -1.43 0.00 0.00 32.58 31.25 1n7y s HIS 127 CO 0.00 -0.70 0.64 0.34 -2.00 0.00 0.00 174.74 173.01 1n7y s ASP 128 N -2.92 -0.59 -0.07 7.38 -1.08 -0.15 -4.92 116.67 114.31 1n7y s ASP 128 Ca 0.12 0.25 0.04 0.00 -0.52 0.00 0.00 52.55 52.44 1n7y s ASP 128 Cb 0.03 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.06 1n7y s ASP 128 CO -0.04 -0.83 -0.19 -0.89 0.52 0.00 0.00 175.17 173.73 1n7y s THR 129 N -2.84 1.65 0.05 1.71 2.01 -1.26 -0.34 115.64 116.63 1n7y s THR 129 Ca -0.03 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1n7y s THR 129 Cb -0.01 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1n7y s THR 129 CO -0.05 0.47 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.91 1n7y s PHE 130 N 0.30 2.83 0.06 4.92 0.08 0.39 -2.50 117.98 124.05 1n7y s PHE 130 Ca -0.12 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1n7y s PHE 130 Cb -0.15 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1n7y s PHE 130 CO 0.05 0.40 -0.05 0.95 -0.10 0.00 0.00 175.22 176.47 1n7y s THR 131 N -1.11 0.39 -0.31 0.64 -4.23 -0.95 -1.07 115.64 109.00 1n7y s THR 131 Ca 0.19 -1.57 0.21 0.00 -1.18 0.00 0.00 61.69 59.35 1n7y s THR 131 Cb -0.11 -1.20 0.17 0.00 1.34 0.00 0.00 72.50 72.70 1n7y s THR 131 CO 0.11 -0.78 1.38 0.11 -0.54 0.00 0.00 174.62 174.90 1n7y h LYS 132 N 3.58 0.00 -7.22 3.99 1.57 -1.78 -0.90 116.57 115.80 1n7y h LYS 132 Ca -0.34 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.95 1n7y h LYS 132 Cb 1.17 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.54 1n7y h LYS 132 CO 0.57 0.11 0.27 0.08 -0.57 0.00 0.00 179.45 179.91 1n7y s VAL 133 N -3.18 3.99 0.00 0.50 1.01 -1.26 -4.85 120.40 116.61 1n7y s VAL 133 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1n7y s VAL 133 Cb 0.07 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1n7y s VAL 133 CO 0.72 -0.69 0.00 0.29 0.00 0.00 0.00 175.10 175.43