#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 n PRO 2 N 0.00 3.47 0.00 0.03 -0.04 -1.26 -4.71 135.00 132.50 1i16 n PRO 2 Ca 0.00 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1i16 n PRO 2 Cb 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1i16 n PRO 2 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i16 n ASP 3 N 3.51 0.00 -3.04 3.54 -0.08 -1.26 -4.92 116.55 114.30 1i16 n ASP 3 Ca 0.74 0.75 -0.17 0.00 -1.51 0.00 0.00 54.79 54.59 1i16 n ASP 3 Cb 0.29 -0.39 0.07 0.00 2.34 0.00 0.00 41.12 43.42 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1i16 n LEU 4 N -1.68 -3.42 0.08 -2.67 7.94 -1.26 -4.91 117.00 111.08 1i16 n LEU 4 Ca 0.00 -0.48 -0.10 0.00 -1.11 0.00 0.00 56.01 54.32 1i16 n LEU 4 Cb 0.00 -2.64 -0.05 0.00 0.53 0.00 0.00 43.42 41.26 1i16 n LEU 4 CO 0.00 0.43 0.17 -0.55 -1.11 0.00 0.00 177.39 176.33 1i16 h ASN 5 N -1.93 0.27 -5.82 1.96 -1.07 -2.00 -3.48 115.58 103.51 1i16 h ASN 5 Ca -0.48 -0.24 -0.14 0.00 0.07 0.00 0.00 56.30 55.51 1i16 h ASN 5 Cb 1.29 -0.08 0.01 0.00 -2.07 0.00 0.00 38.32 37.47 1i16 h ASN 5 CO 0.44 1.09 -0.86 -0.24 0.07 0.00 0.00 177.43 177.93 1i16 n SER 6 N -3.59 -6.97 -2.64 6.14 2.88 -1.26 -4.98 113.62 103.19 1i16 n SER 6 Ca -0.04 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1i16 n SER 6 Cb 0.87 -3.71 0.00 0.00 -0.75 0.00 0.00 64.21 60.62 1i16 n SER 6 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1i16 n SER 7 N 0.01 -0.25 -1.65 -3.46 3.41 -1.26 -4.91 113.62 105.51 1i16 n SER 7 Ca 0.02 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1i16 n SER 7 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1i16 n SER 7 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1i16 n THR 8 N -1.38 -5.49 -5.29 6.66 -1.04 -1.26 -4.96 114.28 101.52 1i16 n THR 8 Ca 0.00 2.50 -0.31 0.00 -2.04 0.00 0.00 64.05 64.19 1i16 n THR 8 Cb 0.00 -3.43 -0.16 0.00 -1.82 0.00 0.00 70.33 64.91 1i16 n THR 8 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1i16 s ASP 9 N -3.45 3.05 -0.12 8.00 1.47 -1.26 -5.11 116.67 119.25 1i16 s ASP 9 Ca 0.00 -0.49 -0.17 0.00 1.18 0.00 0.00 52.55 53.06 1i16 s ASP 9 Cb 0.00 -0.60 -0.04 0.00 -0.34 0.00 0.00 42.92 41.94 1i16 s ASP 9 CO 0.00 0.28 0.45 -0.44 0.68 0.00 0.00 175.17 176.14 1i16 s SER 10 N -0.38 6.65 -0.07 2.11 0.01 -1.26 -5.07 113.70 115.70 1i16 s SER 10 Ca 0.03 0.78 -0.04 0.00 1.31 0.00 0.00 55.95 58.03 1i16 s SER 10 Cb -0.12 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1i16 s SER 10 CO 0.01 0.03 0.11 0.00 0.41 0.00 0.00 173.24 173.80 1i16 s ALA 11 N 0.53 3.72 -0.40 1.44 0.00 -1.26 -5.07 121.76 120.72 1i16 s ALA 11 Ca 0.24 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1i16 s ALA 11 Cb -0.15 -1.77 0.14 0.00 0.00 0.00 0.00 23.12 21.34 1i16 s ALA 11 CO 0.09 0.66 0.23 0.00 0.00 0.00 0.00 175.76 176.74 1i16 s ALA 12 N -1.10 1.61 -0.01 0.00 0.00 -1.26 -5.10 121.76 115.90 1i16 s ALA 12 Ca 0.19 -2.28 0.04 0.00 0.00 0.00 0.00 51.96 49.91 1i16 s ALA 12 Cb -0.12 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 1i16 s ALA 12 CO 0.09 -2.08 -0.12 -1.12 0.00 0.00 0.00 175.76 172.53 1i16 s SER 13 N 0.65 1.38 -0.39 0.00 0.01 -1.26 -5.10 113.70 108.99 1i16 s SER 13 Ca 0.18 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1i16 s SER 13 Cb -0.23 -0.15 0.15 0.00 0.21 0.00 0.00 66.02 66.00 1i16 s SER 13 CO -0.00 0.14 0.25 0.00 0.41 0.00 0.00 173.24 174.04 1i16 s ALA 14 N -0.30 1.30 -1.47 1.44 0.00 -1.26 -5.01 121.76 116.46 1i16 s ALA 14 Ca 0.04 -2.16 -0.09 0.00 0.00 0.00 0.00 51.96 49.75 1i16 s ALA 14 Cb -0.05 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.43 1i16 s ALA 14 CO -0.00 -2.07 2.57 0.45 0.00 0.00 0.00 175.76 176.71 1i16 n SER 15 N 3.64 7.56 -3.96 0.00 2.88 -1.26 -4.94 113.62 117.54 1i16 n SER 15 Ca 0.16 -2.85 -0.23 0.00 -1.33 0.00 0.00 58.87 54.62 1i16 n SER 15 Cb 0.39 -1.50 0.14 0.00 -0.75 0.00 0.00 64.21 62.49 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 16 N 3.30 -0.58 -1.44 -1.46 0.00 -1.26 -4.87 120.51 114.20 1i16 n ALA 16 Ca 0.66 -1.63 -0.48 0.00 0.00 0.00 0.00 53.44 51.99 1i16 n ALA 16 Cb 0.27 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 17 N -3.33 0.69 -0.35 0.00 0.00 -1.26 -4.71 120.51 111.55 1i16 n ALA 17 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1i16 n ALA 17 Cb 0.52 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1i16 n ALA 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i16 n SER 18 N 10.48 0.00 -4.15 0.00 3.41 -1.26 -4.86 113.62 117.24 1i16 n SER 18 Ca 0.49 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.77 1i16 n SER 18 Cb 0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1i16 n SER 18 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1i16 n ASP 19 N -1.98 2.47 -4.81 4.04 5.68 -1.26 -4.90 116.55 115.79 1i16 n ASP 19 Ca 0.00 -2.65 -0.38 0.00 -0.50 0.00 0.00 54.79 51.26 1i16 n ASP 19 Cb 0.00 -1.40 -0.06 0.00 -1.14 0.00 0.00 41.12 38.52 1i16 n ASP 19 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1i16 s VAL 20 N 9.36 4.82 -0.41 2.12 -7.23 -1.26 -4.53 120.40 123.27 1i16 s VAL 20 Ca 0.66 1.14 -0.19 0.00 -1.81 0.00 0.00 61.98 61.78 1i16 s VAL 20 Cb 0.06 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 33.16 1i16 s VAL 20 CO 0.16 0.54 0.54 -0.24 -0.31 0.00 0.00 175.10 175.80 1i16 n SER 21 N 1.87 -7.37 -4.54 4.85 2.88 -1.26 -4.64 113.62 105.41 1i16 n SER 21 Ca -0.11 0.46 -0.34 0.00 -1.33 0.00 0.00 58.87 57.55 1i16 n SER 21 Cb 0.51 -4.44 -0.07 0.00 -0.75 0.00 0.00 64.21 59.46 1i16 n SER 21 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1i16 n VAL 22 N -0.14 -0.05 -1.24 2.46 0.31 -1.26 -4.49 118.33 113.91 1i16 n VAL 22 Ca 0.06 -0.56 0.07 0.00 -0.01 0.00 0.00 64.34 63.90 1i16 n VAL 22 Cb 0.47 -2.04 -0.04 0.00 -0.91 0.00 0.00 33.84 31.32 1i16 n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i16 n GLU 23 N 8.71 -3.07 -2.71 5.55 1.02 -1.26 -4.96 120.64 123.91 1i16 n GLU 23 Ca 0.47 2.45 -0.08 0.00 -0.02 0.00 0.00 57.16 59.98 1i16 n GLU 23 Cb 0.39 -3.27 0.10 0.00 -0.02 0.00 0.00 31.44 28.64 1i16 n GLU 23 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1i16 n SER 24 N -3.21 -2.11 -4.79 1.62 7.64 -1.26 -5.14 113.62 106.37 1i16 n SER 24 Ca -0.04 -3.12 -0.31 0.00 1.01 0.00 0.00 58.87 56.41 1i16 n SER 24 Cb 0.49 1.54 -0.06 0.00 -1.01 0.00 0.00 64.21 65.16 1i16 n SER 24 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1i16 s THR 25 N 0.23 4.67 0.04 0.44 2.01 -1.26 -5.00 115.64 116.77 1i16 s THR 25 Ca 0.21 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1i16 s THR 25 Cb 0.33 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1i16 s THR 25 CO -0.07 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.03 1i16 n ALA 26 N 0.56 -0.86 -2.30 7.40 0.00 -1.26 -4.95 120.51 119.11 1i16 n ALA 26 Ca -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 1i16 n ALA 26 Cb 0.52 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 1i16 n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i16 n GLU 27 N -1.04 -3.07 0.00 0.00 1.02 -1.26 -4.95 120.64 111.34 1i16 n GLU 27 Ca 0.00 2.49 0.00 0.00 -0.02 0.00 0.00 57.16 59.63 1i16 n GLU 27 Cb 0.07 -3.96 0.00 0.00 -0.02 0.00 0.00 31.44 27.53 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 n ALA 28 N 1.02 -0.94 -2.77 0.62 0.00 -1.26 -5.05 120.51 112.13 1i16 n ALA 28 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1i16 n ALA 28 Cb 0.34 -0.49 -0.11 0.00 0.00 0.00 0.00 19.45 19.20 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -3.02 0.32 0.05 0.00 -4.23 0.19 -4.98 115.64 103.96 1i16 s THR 29 Ca 0.00 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1i16 s THR 29 Cb 0.00 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 1i16 s THR 29 CO 0.00 -0.55 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.75 1i16 s VAL 30 N -1.91 0.60 -0.38 2.29 1.01 -1.26 -0.32 120.40 120.43 1i16 s VAL 30 Ca -0.09 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.80 1i16 s VAL 30 Cb -0.07 -0.67 0.16 0.00 0.00 0.00 0.00 36.38 35.80 1i16 s VAL 30 CO -0.02 -0.37 0.37 0.00 0.00 0.00 0.00 175.10 175.08 1i16 s THR 32 N 1.21 3.87 0.06 0.00 2.01 -1.26 -3.42 115.64 118.11 1i16 s THR 32 Ca 0.19 1.34 -0.09 0.00 0.31 0.00 0.00 61.69 63.44 1i16 s THR 32 Cb -0.14 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1i16 s THR 32 CO -0.03 0.10 0.19 0.68 -0.69 0.00 0.00 174.62 174.87 1i16 s VAL 33 N 1.10 0.12 -0.17 3.82 -7.23 -0.46 -4.98 120.40 112.60 1i16 s VAL 33 Ca 0.60 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1i16 s VAL 33 Cb -0.31 -1.10 0.01 0.00 0.56 0.00 0.00 36.38 35.54 1i16 s VAL 33 CO 0.29 -0.56 -0.17 0.42 -0.31 0.00 0.00 175.10 174.77 1i16 s THR 34 N -3.12 2.38 0.60 5.32 -4.23 -1.25 0.22 115.64 115.55 1i16 s THR 34 Ca -0.01 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 1i16 s THR 34 Cb 0.02 -2.00 0.12 0.00 1.34 0.00 0.00 72.50 71.97 1i16 s THR 34 CO -0.07 0.52 0.82 0.18 -0.54 0.00 0.00 174.62 175.53 1i16 n LEU 35 N 4.39 0.00 -4.27 4.79 4.77 0.74 -4.03 117.00 123.40 1i16 n LEU 35 Ca -0.20 -1.85 -0.34 0.00 -0.03 0.00 0.00 56.01 53.59 1i16 n LEU 35 Cb 0.51 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1i16 n LEU 35 CO 0.27 -0.87 -0.44 -1.83 -1.33 0.00 0.00 177.39 173.19 1i16 s GLU 36 N -4.61 3.27 -1.28 3.23 -1.05 -1.26 0.22 118.70 117.21 1i16 s GLU 36 Ca 0.55 -0.69 -0.13 0.00 -0.15 0.00 0.00 54.97 54.55 1i16 s GLU 36 Cb -0.03 -2.82 0.13 0.00 -0.44 0.00 0.00 34.13 30.97 1i16 s GLU 36 CO 0.36 -0.13 1.72 1.17 0.95 0.00 0.00 175.26 179.34 1i16 n LYS 37 N 4.52 3.34 -1.57 -4.83 3.00 0.22 -4.39 118.16 118.45 1i16 n LYS 37 Ca -0.19 -3.49 -0.02 0.00 -0.00 0.00 0.00 58.31 54.61 1i16 n LYS 37 Cb 0.51 -3.13 -0.00 0.00 0.00 0.00 0.00 35.03 32.40 1i16 n LYS 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1i16 n MET 38 N 5.77 0.35 0.00 1.64 1.56 -1.26 -3.62 117.12 121.55 1i16 n MET 38 Ca 0.42 -1.63 0.00 0.00 -0.27 0.00 0.00 57.70 56.22 1i16 n MET 38 Cb 0.41 0.10 0.00 0.00 2.15 0.00 0.00 33.22 35.89 1i16 n MET 38 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1i16 n SER 39 N -0.08 0.00 -1.04 6.12 2.88 -1.26 -5.00 113.62 115.23 1i16 n SER 39 Ca -0.11 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.47 1i16 n SER 39 Cb 0.89 0.04 0.08 0.00 -0.75 0.00 0.00 64.21 64.47 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 40 N -1.24 2.72 -2.31 -1.46 0.00 -1.26 -5.02 120.51 111.94 1i16 n ALA 40 Ca 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 53.44 50.91 1i16 n ALA 40 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1i16 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 41 N -0.16 -0.84 3.99 0.00 0.00 -1.26 -3.29 105.19 103.63 1i16 n GLY 41 Ca 0.10 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1i16 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 42 N -1.22 0.63 -0.74 0.99 4.77 -1.26 -3.28 117.00 116.90 1i16 n LEU 42 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 1i16 n LEU 42 Cb 0.45 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 1i16 n LEU 42 CO 0.28 -0.32 -0.07 0.61 -1.33 0.00 0.00 177.39 176.56 1i16 n GLY 43 N -2.00 0.70 3.05 -0.72 0.00 -1.21 -4.65 105.19 100.36 1i16 n GLY 43 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1i16 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i16 s PHE 44 N -1.46 0.68 0.02 1.61 -0.12 -1.20 0.26 117.98 117.76 1i16 s PHE 44 Ca 0.00 -0.43 0.06 0.00 -0.05 0.00 0.00 56.93 56.51 1i16 s PHE 44 Cb 0.00 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 41.95 1i16 s PHE 44 CO 0.00 -0.06 -0.18 -1.54 -0.05 0.00 0.00 175.22 173.39 1i16 s SER 45 N -1.35 3.78 -0.09 1.98 1.04 -0.92 -5.00 113.70 113.15 1i16 s SER 45 Ca -0.07 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 1i16 s SER 45 Cb -0.09 -0.63 -0.05 0.00 0.10 0.00 0.00 66.02 65.35 1i16 s SER 45 CO 0.00 0.28 0.24 -0.76 0.98 0.00 0.00 173.24 173.98 1i16 s LEU 46 N -1.23 4.40 0.04 2.42 1.02 -1.26 -1.15 118.68 122.92 1i16 s LEU 46 Ca 0.14 0.63 -0.04 0.00 0.02 0.00 0.00 54.13 54.88 1i16 s LEU 46 Cb -0.10 -2.27 -0.02 0.00 0.02 0.00 0.00 46.19 43.82 1i16 s LEU 46 CO 0.04 0.35 0.05 -1.61 0.02 0.00 0.00 176.35 175.19 1i16 s GLU 47 N -0.87 0.56 0.00 1.70 2.02 0.66 -4.82 118.70 117.95 1i16 s GLU 47 Ca 0.18 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1i16 s GLU 47 Cb -0.14 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.31 1i16 s GLU 47 CO 0.07 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1i16 n GLY 48 N 0.69 -1.44 0.00 -1.39 0.00 -1.26 0.35 105.19 102.13 1i16 n GLY 48 Ca -0.18 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N 0.00 0.04 3.11 -0.02 0.00 -1.26 -5.00 105.19 102.06 1i16 n GLY 49 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 1i16 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i16 n LYS 50 N 0.00 -1.27 0.00 1.61 2.85 -1.26 -4.15 118.16 115.94 1i16 n LYS 50 Ca 0.00 -0.36 0.00 0.00 -1.05 0.00 0.00 58.31 56.90 1i16 n LYS 50 Cb 0.00 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i16 n GLY 51 N 2.58 3.20 0.87 2.58 0.00 -1.26 -4.76 105.19 108.40 1i16 n GLY 51 Ca 0.01 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 1i16 n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i16 n SER 52 N 0.00 1.41 0.00 1.61 7.64 -1.26 -1.50 113.62 121.52 1i16 n SER 52 Ca 0.00 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.33 1i16 n SER 52 Cb 0.00 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1i16 n SER 52 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1i16 n LEU 53 N 0.00 0.00 -1.46 -3.43 0.00 -1.26 -4.45 117.00 106.40 1i16 n LEU 53 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.01 1i16 n LEU 53 Cb 0.16 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.64 1i16 n LEU 53 CO 0.08 0.00 0.13 0.00 0.00 0.00 0.00 177.39 177.60 1i16 n HIS 54 N 0.00 0.24 0.00 1.96 1.44 -1.26 -4.90 115.22 112.70 1i16 n HIS 54 Ca 0.00 -0.97 0.00 0.00 -2.01 0.00 0.00 57.72 54.74 1i16 n HIS 54 Cb 0.00 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 29.92 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1i16 n GLY 55 N -0.03 0.21 1.30 -1.39 0.00 -1.26 -5.14 105.19 98.89 1i16 n GLY 55 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 1i16 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i16 n ASP 56 N 0.00 -7.63 -4.06 1.61 9.92 -0.57 -4.48 116.55 111.35 1i16 n ASP 56 Ca 0.00 0.64 -0.35 0.00 -0.53 0.00 0.00 54.79 54.55 1i16 n ASP 56 Cb 0.00 -4.06 -0.09 0.00 -0.64 0.00 0.00 41.12 36.33 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1i16 s LYS 57 N -2.45 2.82 -1.37 -1.24 -2.85 -1.14 -4.59 119.74 108.92 1i16 s LYS 57 Ca 0.00 -2.97 -0.09 0.00 -1.00 0.00 0.00 55.97 51.90 1i16 s LYS 57 Cb 0.00 -3.76 -0.12 0.00 -2.06 0.00 0.00 37.83 31.89 1i16 s LYS 57 CO 0.00 -1.23 3.07 -0.35 0.10 0.00 0.00 175.35 176.94 1i16 n PRO 58 N 2.76 3.45 -1.54 1.78 -0.04 -1.26 -4.49 135.00 135.65 1i16 n PRO 58 Ca 0.15 -2.03 -0.59 0.00 -0.04 0.00 0.00 63.50 61.00 1i16 n PRO 58 Cb 0.37 -2.67 -0.08 0.00 -0.04 0.00 0.00 33.50 31.07 1i16 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i16 n LEU 59 N 3.40 0.46 -4.36 1.53 4.32 -1.26 -4.74 117.00 116.34 1i16 n LEU 59 Ca 0.73 1.15 -0.22 0.00 -0.02 0.00 0.00 56.01 57.66 1i16 n LEU 59 Cb 0.34 -0.97 -0.11 0.00 -1.62 0.00 0.00 43.42 41.06 1i16 n LEU 59 CO 0.74 -1.62 -0.48 0.42 -1.22 0.00 0.00 177.39 175.24 1i16 s THR 60 N 0.46 1.95 -0.12 -5.08 -4.23 1.07 -3.08 115.64 106.61 1i16 s THR 60 Ca 0.91 -2.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.07 1i16 s THR 60 Cb -1.23 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1i16 s THR 60 CO 0.58 -0.36 1.32 -0.63 -0.54 0.00 0.00 174.62 174.98 1i16 s ILE 61 N -2.27 4.13 -0.27 2.99 1.01 -1.13 0.24 121.20 125.91 1i16 s ILE 61 Ca 0.20 1.40 -0.10 0.00 0.00 0.00 0.00 60.65 62.14 1i16 s ILE 61 Cb -0.05 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 1i16 s ILE 61 CO 0.08 -0.10 -0.30 -0.46 0.00 0.00 0.00 174.94 174.16 1i16 n ASN 62 N 6.41 1.96 -4.05 3.58 6.94 -0.30 0.66 115.26 130.47 1i16 n ASN 62 Ca 0.14 0.23 -0.32 0.00 -0.02 0.00 0.00 54.58 54.61 1i16 n ASN 62 Cb 0.45 -0.73 -0.15 0.00 -2.36 0.00 0.00 39.78 36.99 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1i16 s ARG 63 N -2.51 1.88 -0.03 -3.83 3.52 -1.25 -4.83 118.95 111.90 1i16 s ARG 63 Ca -0.38 -1.60 -0.05 0.00 -0.13 0.00 0.00 55.73 53.57 1i16 s ARG 63 Cb 0.13 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1i16 s ARG 63 CO 0.52 -0.75 0.20 0.42 -0.81 0.00 0.00 175.30 174.88 1i16 s ILE 64 N 1.01 5.41 -0.04 4.11 1.01 -1.26 -2.16 121.20 129.27 1i16 s ILE 64 Ca 0.01 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.74 1i16 s ILE 64 Cb -0.20 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 1i16 s ILE 64 CO -0.06 0.40 0.09 0.49 0.00 0.00 0.00 174.94 175.85 1i16 n PHE 65 N 1.20 0.00 -3.30 3.97 3.72 0.74 -4.96 117.46 118.83 1i16 n PHE 65 Ca -0.13 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 1i16 n PHE 65 Cb 0.53 -0.27 0.01 0.00 -0.94 0.00 0.00 39.48 38.81 1i16 n PHE 65 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1i16 n LYS 66 N -2.04 -1.85 0.00 -1.08 4.81 -1.22 -4.92 118.16 111.86 1i16 n LYS 66 Ca -0.07 1.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.86 1i16 n LYS 66 Cb 0.49 -3.83 0.00 0.00 0.02 0.00 0.00 35.03 31.71 1i16 n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i16 n GLY 67 N -0.85 -0.18 3.64 3.14 0.00 -1.26 -5.06 105.19 104.62 1i16 n GLY 67 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 s ALA 68 N -0.24 -2.13 -0.27 4.61 0.00 -1.26 -4.94 121.76 117.53 1i16 s ALA 68 Ca 0.00 1.89 -0.27 0.00 0.00 0.00 0.00 51.96 53.58 1i16 s ALA 68 Cb 0.00 -1.61 0.18 0.00 0.00 0.00 0.00 23.12 21.69 1i16 s ALA 68 CO 0.00 -0.22 1.31 0.00 0.00 0.00 0.00 175.76 176.84 1i16 s ALA 69 N 0.42 -2.12 -1.61 0.00 0.00 -1.26 -4.43 121.76 112.75 1i16 s ALA 69 Ca 0.02 1.76 0.20 0.00 0.00 0.00 0.00 51.96 53.94 1i16 s ALA 69 Cb -0.05 -1.52 0.59 0.00 0.00 0.00 0.00 23.12 22.14 1i16 s ALA 69 CO -0.10 -0.19 1.49 -1.13 0.00 0.00 0.00 175.76 175.83 1i16 n SER 70 N 1.19 3.87 -3.32 0.00 3.41 -1.26 -4.82 113.62 112.69 1i16 n SER 70 Ca -0.07 -2.08 -0.10 0.00 -0.26 0.00 0.00 58.87 56.36 1i16 n SER 70 Cb 0.58 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1i16 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i16 n GLU 71 N 1.32 0.92 -0.58 4.33 4.71 -1.26 -4.93 120.64 125.14 1i16 n GLU 71 Ca 0.22 -1.46 -0.16 0.00 -0.01 0.00 0.00 57.16 55.74 1i16 n GLU 71 Cb 0.63 -0.02 -0.02 0.00 -1.01 0.00 0.00 31.44 31.01 1i16 n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i16 n GLN 72 N -1.42 1.61 -2.10 3.49 10.64 -1.26 -4.41 117.38 123.92 1i16 n GLN 72 Ca 0.05 -1.19 -0.03 0.00 -1.83 0.00 0.00 57.00 54.00 1i16 n GLN 72 Cb 0.28 -2.30 -0.00 0.00 -0.86 0.00 0.00 30.24 27.35 1i16 n GLN 72 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1i16 n SER 73 N 4.19 -1.37 -2.99 2.61 7.64 -1.26 -4.72 113.62 117.71 1i16 n SER 73 Ca 0.34 0.33 -0.14 0.00 1.01 0.00 0.00 58.87 60.41 1i16 n SER 73 Cb 0.14 -1.37 0.01 0.00 -1.01 0.00 0.00 64.21 61.97 1i16 n SER 73 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1i16 n GLU 74 N -2.19 1.02 -2.09 1.43 2.13 -1.26 -4.93 120.64 114.75 1i16 n GLU 74 Ca -0.03 -3.00 -0.24 0.00 0.66 0.00 0.00 57.16 54.55 1i16 n GLU 74 Cb 0.41 -1.42 0.02 0.00 0.27 0.00 0.00 31.44 30.71 1i16 n GLU 74 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1i16 n THR 75 N 0.20 2.47 -3.61 6.31 5.66 -1.26 -5.02 114.28 119.03 1i16 n THR 75 Ca 0.17 -4.25 -0.16 0.00 -3.05 0.00 0.00 64.05 56.76 1i16 n THR 75 Cb 0.70 -1.07 -0.07 0.00 -1.55 0.00 0.00 70.33 68.34 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1i16 s VAL 76 N -4.67 0.02 0.00 1.08 -7.23 -1.26 -4.86 120.40 103.49 1i16 s VAL 76 Ca 0.50 -0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.44 1i16 s VAL 76 Cb 0.41 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1i16 s VAL 76 CO 0.01 -0.08 0.15 0.00 -0.31 0.00 0.00 175.10 174.88 1i16 s GLN 77 N -1.11 0.51 -0.20 4.82 0.00 -1.26 -5.11 119.66 117.31 1i16 s GLN 77 Ca -0.11 -0.39 -0.29 0.00 -0.00 0.00 0.00 55.36 54.57 1i16 s GLN 77 Cb -0.02 0.21 0.00 0.00 0.00 0.00 0.00 33.01 33.21 1i16 s GLN 77 CO 0.07 -0.12 1.03 -1.25 0.00 0.00 0.00 175.29 175.02 1i16 s PRO 78 N -1.41 4.30 0.00 9.60 0.04 -1.26 -3.49 135.00 142.78 1i16 s PRO 78 Ca -0.15 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1i16 s PRO 78 Cb -0.07 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1i16 s PRO 78 CO 0.02 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1i16 n GLY 79 N 3.26 0.44 3.71 0.56 0.00 0.21 -4.93 105.19 108.44 1i16 n GLY 79 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1i16 n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 80 N -0.20 2.93 -3.31 1.61 5.68 -1.23 -4.59 116.55 117.44 1i16 n ASP 80 Ca 0.00 1.20 -0.38 0.00 -0.50 0.00 0.00 54.79 55.11 1i16 n ASP 80 Cb 0.10 -1.50 -0.02 0.00 -1.14 0.00 0.00 41.12 38.55 1i16 n ASP 80 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1i16 n GLU 81 N 0.72 4.00 -1.69 0.11 2.13 -1.26 -2.82 120.64 121.83 1i16 n GLU 81 Ca 0.05 -2.70 -0.42 0.00 0.66 0.00 0.00 57.16 54.75 1i16 n GLU 81 Cb 0.36 -2.68 -0.03 0.00 0.27 0.00 0.00 31.44 29.36 1i16 n GLU 81 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1i16 s ILE 82 N 0.57 2.77 -0.18 6.31 1.01 -1.18 -4.00 121.20 126.51 1i16 s ILE 82 Ca 0.63 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 61.07 1i16 s ILE 82 Cb 0.19 -3.02 -0.21 0.00 0.01 0.00 0.00 42.46 39.44 1i16 s ILE 82 CO -0.08 -0.00 0.40 -0.07 0.00 0.00 0.00 174.94 175.19 1i16 h LEU 83 N 9.65 0.00 -8.55 2.97 -0.00 -1.76 -3.40 115.31 114.22 1i16 h LEU 83 Ca -0.48 -0.66 -0.48 0.00 -0.00 0.00 0.00 57.88 56.26 1i16 h LEU 83 Cb 1.23 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.67 1i16 h LEU 83 CO 0.94 1.25 -0.80 0.00 -0.00 0.00 0.00 178.44 179.84 1i16 s GLN 84 N -2.28 0.98 0.53 1.13 0.00 -1.26 0.29 119.66 119.04 1i16 s GLN 84 Ca -0.24 -1.07 0.04 0.00 -0.00 0.00 0.00 55.36 54.10 1i16 s GLN 84 Cb 0.02 -1.11 0.02 0.00 0.00 0.00 0.00 33.01 31.95 1i16 s GLN 84 CO 0.60 0.25 0.30 -0.51 0.00 0.00 0.00 175.29 175.93 1i16 s LEU 85 N -1.85 2.63 -0.56 2.60 1.02 0.28 -3.17 118.68 119.63 1i16 s LEU 85 Ca 0.02 -1.33 -0.04 0.00 0.02 0.00 0.00 54.13 52.80 1i16 s LEU 85 Cb -0.10 -1.10 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 1i16 s LEU 85 CO 0.03 -1.02 1.68 0.61 0.02 0.00 0.00 176.35 177.68 1i16 n GLY 86 N -1.62 2.53 0.00 -3.19 0.00 0.19 -2.20 105.19 100.91 1i16 n GLY 86 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1i16 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 87 N 3.87 -0.44 3.53 -0.02 0.00 -1.26 -4.63 105.19 106.25 1i16 n GLY 87 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1i16 n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i16 s THR 88 N 0.00 0.00 -0.29 2.61 -1.32 -0.93 -4.36 115.64 111.34 1i16 s THR 88 Ca 0.00 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1i16 s THR 88 Cb 0.00 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 1i16 s THR 88 CO 0.00 0.00 0.07 0.00 -2.21 0.00 0.00 174.62 172.48 1i16 s ALA 89 N -2.17 1.65 0.11 11.08 0.00 -1.26 0.99 121.76 132.16 1i16 s ALA 89 Ca 0.01 -1.63 -0.31 0.00 0.00 0.00 0.00 51.96 50.03 1i16 s ALA 89 Cb -0.01 -1.59 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 1i16 s ALA 89 CO -0.03 -1.58 1.58 0.52 0.00 0.00 0.00 175.76 176.25 1i16 h MET 90 N 8.05 -0.62 -1.28 0.00 2.86 -0.50 -1.81 114.93 121.62 1i16 h MET 90 Ca -0.13 0.04 0.37 0.00 -2.06 0.00 0.00 59.70 57.92 1i16 h MET 90 Cb 1.03 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 1i16 h MET 90 CO 0.46 -0.42 1.11 1.04 1.06 0.00 0.00 176.91 180.16 1i16 n GLN 91 N -5.46 0.01 -2.03 1.72 6.02 -1.25 0.26 117.38 116.64 1i16 n GLN 91 Ca -0.07 0.87 -0.30 0.00 -0.01 0.00 0.00 57.00 57.49 1i16 n GLN 91 Cb 0.38 -2.09 0.03 0.00 1.02 0.00 0.00 30.24 29.58 1i16 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i16 n GLY 92 N -1.67 5.99 0.00 1.08 0.00 -0.68 -4.95 105.19 104.96 1i16 n GLY 92 Ca 0.29 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.71 1i16 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 93 N -0.63 0.00 0.00 0.99 7.99 0.72 -4.94 117.00 121.12 1i16 n LEU 93 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 1i16 n LEU 93 Cb 0.65 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 1i16 n LEU 93 CO 0.47 0.00 0.00 0.41 -1.51 0.00 0.00 177.39 176.76 1i16 n THR 94 N 0.00 0.00 -0.03 -5.08 -1.04 -1.26 -4.87 114.28 102.00 1i16 n THR 94 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1i16 n THR 94 Cb 0.00 -0.02 -0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1i16 n THR 94 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1i16 h ARG 95 N 0.00 -0.02 0.73 -2.82 9.65 -1.95 -3.17 114.38 116.80 1i16 h ARG 95 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1i16 h ARG 95 Cb 0.00 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1i16 h ARG 95 CO 0.00 -0.02 -0.35 0.74 2.80 0.00 0.00 179.97 183.14 1i16 h PHE 96 N -0.82 -0.91 -1.36 2.20 0.04 -1.98 -2.69 116.94 111.41 1i16 h PHE 96 Ca -0.00 -0.02 0.39 0.00 2.80 0.00 0.00 57.97 61.14 1i16 h PHE 96 Cb 0.02 0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.42 1i16 h PHE 96 CO 0.00 -0.57 1.04 1.05 -0.60 0.00 0.00 178.31 179.23 1i16 h GLU 97 N -1.25 0.00 0.27 1.51 -0.00 -1.99 -1.28 114.58 111.84 1i16 h GLU 97 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.25 1i16 h GLU 97 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.51 1i16 h GLU 97 CO 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 179.01 179.05 1i16 h ALA 98 N 1.20 -0.69 0.00 1.06 0.00 -1.45 -2.72 119.26 116.66 1i16 h ALA 98 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1i16 h ALA 98 Cb 2.72 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.65 1i16 h ALA 98 CO -0.01 -0.67 0.04 1.87 0.00 0.00 0.00 179.25 180.49 1i16 n TRP 99 N -3.48 0.40 -0.00 0.00 -0.00 -0.70 -2.29 117.44 111.36 1i16 n TRP 99 Ca -0.05 0.21 -0.18 0.00 -0.00 0.00 0.00 57.50 57.48 1i16 n TRP 99 Cb 0.14 -0.80 -0.14 0.00 -0.00 0.00 0.00 31.31 30.51 1i16 n TRP 99 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1i16 h ASN 100 N 0.00 0.27 -0.89 5.87 2.35 -1.12 -3.10 115.58 118.96 1i16 h ASN 100 Ca 0.00 -0.94 0.09 0.00 -0.55 0.00 0.00 56.30 54.89 1i16 h ASN 100 Cb 0.08 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 1i16 h ASN 100 CO 0.00 1.28 0.54 0.40 -1.65 0.00 0.00 177.43 178.00 1i16 h ILE 101 N -0.62 0.97 0.82 2.81 5.03 -1.14 -2.53 117.51 122.85 1i16 h ILE 101 Ca -0.11 -0.32 -0.04 0.00 -0.12 0.00 0.00 64.86 64.27 1i16 h ILE 101 Cb 1.41 -0.04 0.01 0.00 -3.03 0.00 0.00 36.82 35.17 1i16 h ILE 101 CO 0.07 0.17 -0.39 0.40 -0.68 0.00 0.00 178.15 177.72 1i16 h ILE 102 N 0.93 0.17 -1.54 -0.67 5.03 -1.67 -1.95 117.51 117.81 1i16 h ILE 102 Ca 0.41 -0.05 0.48 0.00 -0.12 0.00 0.00 64.86 65.58 1i16 h ILE 102 Cb 0.30 0.18 -0.10 0.00 -3.03 0.00 0.00 36.82 34.17 1i16 h ILE 102 CO -0.22 0.00 1.05 0.11 -0.68 0.00 0.00 178.15 178.42 1i16 h LYS 103 N -1.14 0.04 -0.22 2.37 1.57 -1.38 2.73 116.57 120.53 1i16 h LYS 103 Ca -0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1i16 h LYS 103 Cb 0.85 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1i16 h LYS 103 CO 0.19 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 1i16 n ALA 104 N -2.68 2.49 -0.23 3.86 0.00 -0.78 -4.94 120.51 118.22 1i16 n ALA 104 Ca 0.39 -0.63 -0.31 0.00 0.00 0.00 0.00 53.44 52.89 1i16 n ALA 104 Cb 1.63 -1.03 0.30 0.00 0.00 0.00 0.00 19.45 20.34 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1i16 s LEU 105 N -1.52 -1.62 0.87 0.00 2.34 0.91 -5.01 118.68 114.65 1i16 s LEU 105 Ca 0.33 0.84 -0.12 0.00 0.06 0.00 0.00 54.13 55.24 1i16 s LEU 105 Cb 0.18 -2.17 0.14 0.00 -0.56 0.00 0.00 46.19 43.79 1i16 s LEU 105 CO 0.27 -5.70 1.22 -2.16 -1.06 0.00 0.00 176.35 168.91 1i16 s PRO 106 N -5.08 1.27 -0.83 1.48 0.04 -1.26 -5.01 135.00 125.61 1i16 s PRO 106 Ca 0.68 -0.31 -0.16 0.00 0.04 0.00 0.00 61.00 61.25 1i16 s PRO 106 Cb -0.13 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.64 1i16 s PRO 106 CO 0.57 -1.97 0.86 -0.51 0.04 0.00 0.00 177.00 175.99 1i16 s ASP 107 N -4.75 6.67 0.00 6.66 1.11 -1.26 -4.61 116.67 120.48 1i16 s ASP 107 Ca 0.68 -2.39 0.00 0.00 0.18 0.00 0.00 52.55 51.03 1i16 s ASP 107 Cb -0.07 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.65 1i16 s ASP 107 CO 0.50 -0.76 0.00 0.61 1.18 0.00 0.00 175.17 176.70 1i16 n GLY 108 N 4.55 2.18 3.58 0.21 0.00 -1.24 -4.86 105.19 109.61 1i16 n GLY 108 Ca 0.14 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 3.86 3.41 -0.39 1.61 0.04 -1.26 0.69 135.00 142.96 1i16 s PRO 109 Ca 0.00 0.49 -0.25 0.00 0.04 0.00 0.00 61.00 61.28 1i16 s PRO 109 Cb 0.00 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.48 1i16 s PRO 109 CO 0.00 -1.79 0.86 0.54 0.04 0.00 0.00 177.00 176.65 1i16 s VAL 110 N 5.63 4.62 -0.15 -0.36 0.11 0.59 -4.77 120.40 126.07 1i16 s VAL 110 Ca 0.51 0.92 -0.23 0.00 -2.93 0.00 0.00 61.98 60.25 1i16 s VAL 110 Cb -0.10 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.41 1i16 s VAL 110 CO 0.27 -0.58 0.71 -0.89 -3.33 0.00 0.00 175.10 171.28 1i16 s THR 111 N 3.38 4.98 0.20 5.04 2.01 -1.26 0.26 115.64 130.26 1i16 s THR 111 Ca 0.35 1.40 0.09 0.00 0.31 0.00 0.00 61.69 63.84 1i16 s THR 111 Cb -0.12 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1i16 s THR 111 CO 0.20 0.13 -0.06 0.27 -0.69 0.00 0.00 174.62 174.46 1i16 s ILE 112 N 1.65 3.30 -0.33 1.82 -4.36 0.61 0.56 121.20 124.44 1i16 s ILE 112 Ca 0.34 -1.71 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1i16 s ILE 112 Cb -0.17 -2.68 0.11 0.00 1.25 0.00 0.00 42.46 40.98 1i16 s ILE 112 CO 0.13 -0.18 0.15 -0.69 0.24 0.00 0.00 174.94 174.58 1i16 s VAL 113 N -1.89 0.61 -0.16 8.37 1.01 -1.19 -1.36 120.40 125.79 1i16 s VAL 113 Ca 0.27 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1i16 s VAL 113 Cb -0.08 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1i16 s VAL 113 CO 0.17 -0.78 0.16 0.27 0.00 0.00 0.00 175.10 174.92 1i16 s ILE 114 N 1.43 5.42 -0.27 2.22 -5.25 -1.22 -2.60 121.20 120.93 1i16 s ILE 114 Ca 0.12 0.25 -0.03 0.00 -0.99 0.00 0.00 60.65 60.01 1i16 s ILE 114 Cb -0.19 -3.47 0.09 0.00 2.95 0.00 0.00 42.46 41.84 1i16 s ILE 114 CO -0.19 0.50 0.10 -0.60 -1.79 0.00 0.00 174.94 172.95 1i16 s ARG 115 N -0.12 0.44 0.04 0.37 3.00 -1.26 -0.21 118.95 121.21 1i16 s ARG 115 Ca 0.12 -0.68 -0.20 0.00 -1.00 0.00 0.00 55.73 53.97 1i16 s ARG 115 Cb -0.12 -1.66 -0.06 0.00 0.00 0.00 0.00 34.95 33.11 1i16 s ARG 115 CO 0.01 -0.92 0.58 1.03 0.00 0.00 0.00 175.30 176.00 1i16 s ARG 116 N 1.89 4.26 0.30 5.12 1.81 0.56 -4.32 118.95 128.57 1i16 s ARG 116 Ca 0.07 0.74 -0.13 0.00 -1.72 0.00 0.00 55.73 54.69 1i16 s ARG 116 Cb -0.17 -3.29 0.02 0.00 -0.45 0.00 0.00 34.95 31.06 1i16 s ARG 116 CO -0.26 0.51 0.60 -1.59 -0.68 0.00 0.00 175.30 173.88 1i16 s LYS 117 N -0.67 1.83 -0.03 3.54 -2.85 -1.26 0.56 119.74 120.85 1i16 s LYS 117 Ca 0.30 -1.33 -0.02 0.00 -1.00 0.00 0.00 55.97 53.91 1i16 s LYS 117 Cb -0.19 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1i16 s LYS 117 CO 0.18 -0.80 0.04 -1.13 0.10 0.00 0.00 175.35 173.74 1i16 n SER 118 N -0.83 -3.69 -4.56 0.03 3.41 -1.26 -4.68 113.62 102.05 1i16 n SER 118 Ca -0.03 0.72 -0.16 0.00 -0.26 0.00 0.00 58.87 59.14 1i16 n SER 118 Cb 0.61 -2.82 -0.07 0.00 -0.26 0.00 0.00 64.21 61.67 1i16 n SER 118 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i16 s LEU 119 N -0.27 2.92 -0.00 1.04 2.01 -1.26 -4.50 118.68 118.61 1i16 s LEU 119 Ca -0.05 0.16 0.02 0.00 0.01 0.00 0.00 54.13 54.27 1i16 s LEU 119 Cb 0.00 -2.54 -0.02 0.00 0.01 0.00 0.00 46.19 43.64 1i16 s LEU 119 CO 0.13 -3.79 0.05 1.67 1.01 0.00 0.00 176.35 175.42 1i16 n GLN 120 N 8.84 2.35 -3.74 1.70 7.27 -1.26 -4.95 117.38 127.60 1i16 n GLN 120 Ca 0.46 -0.01 -0.27 0.00 0.07 0.00 0.00 57.00 57.24 1i16 n GLN 120 Cb 0.44 -0.87 -0.17 0.00 2.41 0.00 0.00 30.24 32.06 1i16 n GLN 120 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1i16 s SER 121 N -1.82 2.84 0.20 1.69 0.15 -1.26 -4.98 113.70 110.52 1i16 s SER 121 Ca -0.00 -0.78 0.23 0.00 0.70 0.00 0.00 55.95 56.09 1i16 s SER 121 Cb 0.01 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 1i16 s SER 121 CO 0.07 -0.30 1.06 0.50 1.20 0.00 0.00 173.24 175.76 1i16 h LYS 122 N 8.25 0.00 -4.18 5.44 3.11 -1.99 -3.50 116.57 123.70 1i16 h LYS 122 Ca -0.16 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1i16 h LYS 122 Cb 1.12 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.28 1i16 h LYS 122 CO 0.33 0.00 -0.90 -1.91 -2.81 0.00 0.00 179.45 174.17 1i16 n GLU 123 N -2.66 -2.63 -3.54 1.90 4.07 -1.26 -5.09 120.64 111.43 1i16 n GLU 123 Ca 0.00 2.20 -0.11 0.00 -0.06 0.00 0.00 57.16 59.19 1i16 n GLU 123 Cb 0.55 -3.44 -0.04 0.00 -0.06 0.00 0.00 31.44 28.44 1i16 n GLU 123 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1i16 s THR 124 N -0.49 0.00 0.00 6.31 -1.32 -1.26 -5.13 115.64 113.75 1i16 s THR 124 Ca -0.15 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1i16 s THR 124 Cb 0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1i16 s THR 124 CO 0.47 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 173.23 1i16 n THR 125 N 0.42 0.00 -2.99 5.08 -2.24 -1.26 -4.61 114.28 108.67 1i16 n THR 125 Ca -0.11 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 1i16 n THR 125 Cb 0.59 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 n ALA 126 N 0.84 0.72 -0.68 6.98 0.00 -1.26 -5.02 120.51 122.09 1i16 n ALA 126 Ca 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1i16 n ALA 126 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1i16 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 127 N 1.42 0.00 0.00 0.00 0.00 -1.26 -3.76 120.51 116.91 1i16 n ALA 127 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1i16 n ALA 127 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1i16 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 128 N 0.00 0.00 2.32 0.00 0.00 -1.26 -5.06 105.19 101.19 1i16 n GLY 128 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1i16 n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 129 N 0.00 2.66 -0.80 1.61 5.68 -1.25 -5.32 116.55 119.14 1i16 n ASP 129 Ca 0.00 -2.71 0.10 0.00 -0.50 0.00 0.00 54.79 51.68 1i16 n ASP 129 Cb 0.00 -0.42 0.08 0.00 -1.14 0.00 0.00 41.12 39.64 1i16 n ASP 129 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63