#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6s n ALA 2 N 0.00 0.00 -3.64 3.04 0.00 -1.26 -2.85 120.51 115.80 3h6s n ALA 2 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3h6s n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3h6s n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h6s s SER 3 N -4.00 -0.95 0.02 0.00 0.01 -1.26 -4.95 113.70 102.57 3h6s s SER 3 Ca 0.00 1.52 -0.09 0.00 1.31 0.00 0.00 55.95 58.69 3h6s s SER 3 Cb 0.00 1.39 -0.05 0.00 0.21 0.00 0.00 66.02 67.57 3h6s s SER 3 CO 0.00 -0.24 0.32 -0.76 0.41 0.00 0.00 173.24 172.97 3h6s s LEU 4 N 1.62 4.38 0.05 2.44 1.02 -1.26 -5.07 118.68 121.86 3h6s s LEU 4 Ca -0.10 0.68 -0.25 0.00 0.02 0.00 0.00 54.13 54.48 3h6s s LEU 4 Cb -0.05 -2.72 -0.05 0.00 0.02 0.00 0.00 46.19 43.39 3h6s s LEU 4 CO -0.20 0.25 0.78 -0.70 0.02 0.00 0.00 176.35 176.50 3h6s s GLU 5 N -1.66 4.51 0.46 1.70 2.12 -1.26 -4.93 118.70 119.63 3h6s s GLU 5 Ca 0.28 1.09 -0.21 0.00 0.36 0.00 0.00 54.97 56.48 3h6s s GLU 5 Cb -0.14 -3.37 -0.12 0.00 0.26 0.00 0.00 34.13 30.77 3h6s s GLU 5 CO 0.15 0.27 0.56 -0.25 -0.54 0.00 0.00 175.26 175.45 3h6s n ASP 6 N 2.83 -0.83 0.00 -1.70 10.43 -1.26 -4.77 116.55 121.24 3h6s n ASP 6 Ca -0.02 0.87 0.00 0.00 2.57 0.00 0.00 54.79 58.21 3h6s n ASP 6 Cb 0.50 -1.14 0.00 0.00 1.84 0.00 0.00 41.12 42.32 3h6s n ASP 6 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h6s n GLY 7 N 1.76 -0.97 3.74 0.44 0.00 -1.26 -4.87 105.19 104.03 3h6s n GLY 7 Ca 0.11 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 3h6s n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h6s s THR 8 N -2.04 4.38 0.19 2.61 -4.23 -1.26 -1.23 115.64 114.06 3h6s s THR 8 Ca 0.00 -0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 3h6s s THR 8 Cb 0.00 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 3h6s s THR 8 CO 0.00 0.19 0.23 -0.31 -0.54 0.00 0.00 174.62 174.20 3h6s s TYR 9 N -1.30 0.73 0.04 3.99 1.51 0.44 -0.06 117.35 122.71 3h6s s TYR 9 Ca 0.26 -1.05 0.09 0.00 -1.01 0.00 0.00 57.07 55.36 3h6s s TYR 9 Cb -0.12 -0.25 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 3h6s s TYR 9 CO 0.18 -0.72 -0.26 1.03 -1.11 0.00 0.00 175.55 174.67 3h6s s ARG 10 N -4.06 1.80 -0.18 -0.62 0.52 -1.04 -0.28 118.95 115.08 3h6s s ARG 10 Ca 0.27 -1.09 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3h6s s ARG 10 Cb 0.04 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.59 3h6s s ARG 10 CO 0.06 0.51 -0.14 -0.51 0.02 0.00 0.00 175.30 175.24 3h6s s LEU 11 N -1.19 2.17 -0.16 2.53 1.02 -1.26 -2.18 118.68 119.60 3h6s s LEU 11 Ca 0.11 -0.75 -0.05 0.00 0.02 0.00 0.00 54.13 53.46 3h6s s LEU 11 Cb -0.10 -1.31 -0.03 0.00 0.02 0.00 0.00 46.19 44.77 3h6s s LEU 11 CO 0.02 -0.08 -0.00 -0.60 0.02 0.00 0.00 176.35 175.70 3h6s s ARG 12 N 1.37 3.77 -0.05 1.70 3.52 0.22 -1.08 118.95 128.41 3h6s s ARG 12 Ca 0.02 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 3h6s s ARG 12 Cb -0.15 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 3h6s s ARG 12 CO -0.10 0.25 1.45 0.00 -0.81 0.00 0.00 175.30 176.09 3h6s s ALA 13 N 0.36 3.61 0.00 6.12 0.00 0.63 -0.72 121.76 131.76 3h6s s ALA 13 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3h6s s ALA 13 Cb -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3h6s s ALA 13 CO 0.02 -1.11 0.00 1.55 0.00 0.00 0.00 175.76 176.22 3h6s n VAL 14 N 5.06 0.00 -3.84 0.00 3.14 0.48 -4.62 118.33 118.54 3h6s n VAL 14 Ca 0.15 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.43 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 -1.61 0.07 0.13 1.55 2.01 -1.21 -1.94 115.64 114.65 3h6s s THR 15 Ca 0.00 -1.09 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 3h6s s THR 15 Cb 0.00 -1.60 -0.12 0.00 0.01 0.00 0.00 72.50 70.79 3h6s s THR 15 CO 0.00 -0.31 1.38 0.00 -0.69 0.00 0.00 174.62 174.99 3h6s h THR 16 N 2.47 1.30 0.00 -0.82 1.03 -1.47 -1.46 112.91 113.96 3h6s h THR 16 Ca -0.32 -1.93 0.00 0.00 -0.01 0.00 0.00 66.41 64.15 3h6s h THR 16 Cb 1.24 1.91 0.00 0.00 -1.07 0.00 0.00 68.15 70.22 3h6s h THR 16 CO 0.47 0.61 0.00 0.28 -0.01 0.00 0.00 175.52 176.87 3h6s h SER 17 N 0.50 0.00 -0.94 0.00 0.02 -1.95 -3.38 113.55 107.80 3h6s h SER 17 Ca -0.03 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.55 3h6s h SER 17 Cb 1.30 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.58 3h6s h SER 17 CO 0.14 0.00 -0.78 -3.20 -1.14 0.00 0.00 176.83 171.84 3h6s n ASN 18 N -2.61 -1.37 0.27 3.07 2.85 -1.05 -4.96 115.26 111.46 3h6s n ASN 18 Ca 0.03 -3.07 0.18 0.00 -0.11 0.00 0.00 54.58 51.61 3h6s n ASN 18 Cb 0.36 0.68 0.98 0.00 1.24 0.00 0.00 39.78 43.04 3h6s n ASN 18 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3h6s h PRO 19 N 3.85 0.00 -2.12 1.20 0.13 -1.47 -3.21 132.00 130.38 3h6s h PRO 19 Ca -0.04 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.64 3h6s h PRO 19 Cb 0.97 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.77 3h6s h PRO 19 CO 0.38 0.00 -0.77 0.34 -0.23 0.00 0.00 178.00 177.71 3h6s s ASP 20 N -4.74 1.48 0.27 1.44 3.68 -1.26 -4.85 116.67 112.69 3h6s s ASP 20 Ca -0.04 -2.06 0.23 0.00 2.13 0.00 0.00 52.55 52.82 3h6s s ASP 20 Cb 0.10 0.21 1.02 0.00 -1.45 0.00 0.00 42.92 42.80 3h6s s ASP 20 CO 0.33 -0.24 1.71 -2.65 0.13 0.00 0.00 175.17 174.46 3h6s n PRO 21 N 3.80 0.19 0.00 4.34 -0.02 -1.26 -5.00 135.00 137.05 3h6s n PRO 21 Ca 0.16 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3h6s n PRO 21 Cb 0.44 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3h6s n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h6s n GLY 22 N -0.20 0.03 3.81 -1.23 0.00 -1.26 -5.05 105.19 101.29 3h6s n GLY 22 Ca 0.02 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 3.75 0.00 1.61 -7.23 -1.26 -4.81 120.40 112.46 3h6s s VAL 23 Ca 0.00 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 3h6s s VAL 23 Cb 0.00 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.63 3h6s s VAL 23 CO 0.00 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 3h6s n GLY 24 N -2.02 0.53 0.70 2.32 0.00 -1.26 -5.06 105.19 100.40 3h6s n GLY 24 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.12 3.30 -0.02 0.00 -1.26 -4.96 105.19 99.13 3h6s n GLY 25 Ca 0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.67 1.18 0.08 1.61 2.02 -1.26 -4.19 118.70 117.46 3h6s s GLU 26 Ca 0.00 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 53.76 3h6s s GLU 26 Cb 0.00 -1.35 -0.03 0.00 0.10 0.00 0.00 34.13 32.84 3h6s s GLU 26 CO 0.00 0.30 -0.09 0.71 0.02 0.00 0.00 175.26 176.20 3h6s s TYR 27 N -1.52 0.93 -0.03 1.61 2.02 0.11 -0.27 117.35 120.20 3h6s s TYR 27 Ca 0.10 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 55.86 3h6s s TYR 27 Cb -0.08 -0.52 -0.07 0.00 -0.40 0.00 0.00 41.96 40.88 3h6s s TYR 27 CO 0.05 -0.05 1.84 0.00 -1.57 0.00 0.00 175.55 175.82 3h6s s ALA 28 N -2.24 3.54 -0.07 3.71 0.00 -0.24 -0.64 121.76 125.82 3h6s s ALA 28 Ca 0.01 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3h6s s ALA 28 Cb -0.04 -3.82 0.02 0.00 0.00 0.00 0.00 23.12 19.28 3h6s s ALA 28 CO -0.01 -1.58 -0.06 0.99 0.00 0.00 0.00 175.76 175.10 3h6s s THR 29 N 4.53 0.76 0.17 0.00 2.01 0.14 -4.39 115.64 118.86 3h6s s THR 29 Ca 0.82 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 3h6s s THR 29 Cb -0.37 -0.78 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 3h6s s THR 29 CO 0.36 0.29 1.06 0.54 -0.69 0.00 0.00 174.62 176.18 3h6s s VAL 30 N 1.19 4.01 -0.22 3.82 0.11 -0.92 -0.36 120.40 128.03 3h6s s VAL 30 Ca -0.06 1.74 0.12 0.00 -2.93 0.00 0.00 61.98 60.85 3h6s s VAL 30 Cb -0.14 -4.11 0.44 0.00 -1.53 0.00 0.00 36.38 31.04 3h6s s VAL 30 CO -0.02 0.30 1.20 -0.62 -3.33 0.00 0.00 175.10 172.63 3h6s n GLU 31 N 2.39 2.13 0.00 1.54 -0.58 -1.26 -4.88 120.64 119.98 3h6s n GLU 31 Ca 0.02 -3.49 0.00 0.00 -0.42 0.00 0.00 57.16 53.27 3h6s n GLU 31 Cb 0.47 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 -0.80 2.35 3.64 0.62 0.00 -1.26 -4.70 105.19 105.04 3h6s n GLY 32 Ca 0.25 -1.67 -0.49 0.00 0.00 0.00 0.00 46.02 44.11 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 1.61 0.37 -1.34 4.61 0.00 -1.26 -1.58 120.51 122.92 3h6s n ALA 33 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 53.44 53.79 3h6s n ALA 33 Cb 0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.16 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 3.23 -1.09 -4.11 0.00 1.74 0.06 -4.98 116.66 111.52 3h6s n ARG 34 Ca 0.18 0.88 -0.22 0.00 -0.77 0.00 0.00 57.85 57.91 3h6s n ARG 34 Cb 0.24 -4.98 -0.05 0.00 -1.02 0.00 0.00 32.46 26.66 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 -2.85 2.64 0.43 5.56 -1.52 -0.61 -4.80 119.66 118.50 3h6s s GLN 35 Ca 0.00 -1.27 -0.26 0.00 -1.95 0.00 0.00 55.36 51.88 3h6s s GLN 35 Cb 0.00 -2.38 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 3h6s s GLN 35 CO 0.00 0.29 1.43 -2.30 -0.25 0.00 0.00 175.29 174.46 3h6s n PRO 36 N -1.13 2.33 -2.99 2.91 -0.02 -1.26 -1.53 135.00 133.30 3h6s n PRO 36 Ca -0.06 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 3h6s n PRO 36 Cb 0.59 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.17 4.62 0.31 -1.45 1.01 -0.25 -4.37 120.40 119.10 3h6s s VAL 37 Ca 0.59 1.64 0.07 0.00 0.00 0.00 0.00 61.98 64.28 3h6s s VAL 37 Cb -0.46 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 3h6s s VAL 37 CO 0.59 0.42 0.29 -0.54 0.00 0.00 0.00 175.10 175.86 3h6s s LYS 38 N -0.44 2.82 -0.27 2.72 -0.14 0.51 -1.68 119.74 123.27 3h6s s LYS 38 Ca 0.37 -1.20 -0.05 0.00 -1.36 0.00 0.00 55.97 53.73 3h6s s LYS 38 Cb -0.21 -2.54 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 3h6s s LYS 38 CO 0.24 0.17 0.03 0.00 -0.76 0.00 0.00 175.35 175.03 3h6s s ALA 39 N -2.25 2.94 0.01 5.17 0.00 0.13 0.29 121.76 128.06 3h6s s ALA 39 Ca 0.39 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 3h6s s ALA 39 Cb -0.07 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3h6s s ALA 39 CO 0.27 -0.81 0.04 -1.21 0.00 0.00 0.00 175.76 174.05 3h6s s GLU 40 N 1.46 0.38 0.77 0.00 2.02 0.19 -4.73 118.70 118.79 3h6s s GLU 40 Ca 0.03 -0.53 -0.13 0.00 0.02 0.00 0.00 54.97 54.35 3h6s s GLU 40 Cb -0.17 0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.27 3h6s s GLU 40 CO -0.00 -0.08 1.16 -1.25 0.02 0.00 0.00 175.26 175.11 3h6s s PRO 41 N -1.45 2.00 -1.47 0.39 0.04 -1.26 0.08 135.00 133.33 3h6s s PRO 41 Ca -0.15 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 3h6s s PRO 41 Cb -0.09 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.64 3h6s s PRO 41 CO -0.00 -1.90 2.30 0.45 0.04 0.00 0.00 177.00 177.90 3h6s n SER 42 N -3.14 4.51 -4.46 6.66 2.88 -1.26 -4.64 113.62 114.17 3h6s n SER 42 Ca 0.12 -2.82 -0.22 0.00 -1.33 0.00 0.00 58.87 54.62 3h6s n SER 42 Cb 0.51 -1.64 -0.11 0.00 -0.75 0.00 0.00 64.21 62.23 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 2.95 1.45 0.22 2.46 -4.23 -1.26 -4.94 115.64 112.29 3h6s s THR 43 Ca 0.49 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.81 3h6s s THR 43 Cb 0.14 -2.68 0.25 0.00 1.34 0.00 0.00 72.50 71.55 3h6s s THR 43 CO -0.08 -0.12 1.59 -0.65 -0.54 0.00 0.00 174.62 174.81 3h6s h PRO 44 N 2.14 -0.05 0.00 3.99 0.11 -2.00 0.14 132.00 136.33 3h6s h PRO 44 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3h6s h PRO 44 Cb 1.24 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h6s h PRO 44 CO 0.70 -0.04 0.00 -2.30 -0.21 0.00 0.00 178.00 176.15 3h6s n PRO 45 N -5.48 0.08 0.00 1.05 -0.02 -1.26 -3.38 135.00 125.99 3h6s n PRO 45 Ca 0.09 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3h6s n PRO 45 Cb 0.39 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.89 0.00 -0.32 6.00 3.01 -0.10 -4.87 117.46 119.30 3h6s n PHE 46 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 3h6s n PHE 46 Cb 0.07 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 39.86 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 0.76 0.00 1.38 3.04 -0.82 -1.76 116.94 119.54 3h6s h PHE 47 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3h6s h PHE 47 Cb 0.07 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.39 3h6s h PHE 47 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 178.31 177.22 3h6s h GLU 48 N 0.47 0.00 -0.43 1.11 5.08 -1.87 -3.00 114.58 115.93 3h6s h GLU 48 Ca 0.58 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.88 3h6s h GLU 48 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3h6s h GLU 48 CO -0.50 0.00 0.04 0.54 -1.00 0.00 0.00 179.01 178.09 3h6s n ARG 49 N -2.57 3.45 -0.13 2.33 1.74 -0.66 -4.54 116.66 116.28 3h6s n ARG 49 Ca -0.01 -3.00 0.09 0.00 -0.77 0.00 0.00 57.85 54.17 3h6s n ARG 49 Cb 0.13 -2.02 0.14 0.00 -1.02 0.00 0.00 32.46 29.70 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 -0.24 1.24 -4.17 5.56 6.02 -1.14 -2.16 117.38 122.50 3h6s n GLN 50 Ca 0.28 -2.56 -0.35 0.00 -0.01 0.00 0.00 57.00 54.36 3h6s n GLN 50 Cb 1.07 -1.46 -0.12 0.00 1.02 0.00 0.00 30.24 30.75 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 -2.77 3.93 -0.01 5.09 -1.09 -1.26 -4.11 121.20 120.97 3h6s s ILE 51 Ca 0.31 -0.33 0.07 0.00 -2.23 0.00 0.00 60.65 58.47 3h6s s ILE 51 Cb 0.27 -2.76 -0.02 0.00 -1.58 0.00 0.00 42.46 38.38 3h6s s ILE 51 CO 0.02 0.45 -0.23 0.26 -1.23 0.00 0.00 174.94 174.21 3h6s s TRP 52 N 0.81 2.02 -0.06 3.97 0.52 0.61 -4.15 118.94 122.66 3h6s s TRP 52 Ca -0.00 -0.38 -0.19 0.00 0.02 0.00 0.00 56.10 55.55 3h6s s TRP 52 Cb -0.14 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 30.84 3h6s s TRP 52 CO 0.02 -0.01 0.53 -1.14 0.02 0.00 0.00 176.95 176.37 3h6s s GLN 53 N -0.64 4.30 -0.08 4.98 2.00 0.11 -0.42 119.66 129.91 3h6s s GLN 53 Ca 0.09 0.58 -0.08 0.00 -2.00 0.00 0.00 55.36 53.95 3h6s s GLN 53 Cb -0.09 -3.38 -0.03 0.00 0.80 0.00 0.00 33.01 30.31 3h6s s GLN 53 CO -0.00 0.27 -0.15 0.28 -0.50 0.00 0.00 175.29 175.19 3h6s n VAL 54 N 3.17 0.71 -1.78 1.34 0.31 -0.37 -0.46 118.33 121.26 3h6s n VAL 54 Ca -0.07 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 3h6s n VAL 54 Cb 0.51 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 3h6s n VAL 54 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3h6s n THR 55 N -3.43 -8.71 -3.98 2.52 -1.04 -1.26 -3.55 114.28 94.83 3h6s n THR 55 Ca -0.06 1.86 -0.35 0.00 -2.04 0.00 0.00 64.05 63.45 3h6s n THR 55 Cb 0.23 -4.81 -0.08 0.00 -1.82 0.00 0.00 70.33 63.85 3h6s n THR 55 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3h6s s ARG 56 N -1.21 3.66 0.34 -2.82 3.52 -1.26 -2.14 118.95 119.04 3h6s s ARG 56 Ca 0.00 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.40 3h6s s ARG 56 Cb 0.00 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 3h6s s ARG 56 CO 0.00 0.52 0.48 -0.80 -0.81 0.00 0.00 175.30 174.69 3h6s s ASN 57 N -0.32 5.97 0.35 -2.12 0.02 0.53 -4.94 114.94 114.43 3h6s s ASN 57 Ca 0.10 -0.15 0.13 0.00 -1.02 0.00 0.00 52.86 51.92 3h6s s ASN 57 Cb -0.12 -1.27 0.72 0.00 0.02 0.00 0.00 41.25 40.61 3h6s s ASN 57 CO 0.01 -0.44 1.30 -1.28 0.02 0.00 0.00 177.10 176.72 3h6s h SER 58 N 0.87 0.00 -2.40 -1.22 0.87 -1.98 -3.38 113.55 106.31 3h6s h SER 58 Ca -0.46 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.99 3h6s h SER 58 Cb 1.26 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.26 3h6s h SER 58 CO 0.53 0.00 0.10 0.47 -0.53 0.00 0.00 176.83 177.40 3h6s n ASP 59 N -2.09 -0.21 -0.72 6.23 10.43 -1.26 -4.91 116.55 124.01 3h6s n ASP 59 Ca -0.01 -1.05 0.07 0.00 2.57 0.00 0.00 54.79 56.38 3h6s n ASP 59 Cb 0.35 -0.27 0.20 0.00 1.84 0.00 0.00 41.12 43.25 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 2.32 0.82 3.89 0.44 0.00 -1.26 -4.92 105.19 106.47 3h6s n GLY 60 Ca 0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.51 3.71 0.08 1.61 -0.21 -1.26 -4.76 119.66 117.32 3h6s s GLN 61 Ca 0.28 0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.96 3h6s s GLN 61 Cb 0.15 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.59 3h6s s GLN 61 CO 0.20 0.12 -0.20 -1.12 -2.12 0.00 0.00 175.29 172.16 3h6s s SER 62 N -3.09 2.44 0.29 5.90 0.01 -0.19 -0.35 113.70 118.73 3h6s s SER 62 Ca 0.47 -0.61 0.06 0.00 1.31 0.00 0.00 55.95 57.18 3h6s s SER 62 Cb -0.11 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 3h6s s SER 62 CO 0.30 0.09 0.41 0.42 0.41 0.00 0.00 173.24 174.86 3h6s s THR 63 N -1.01 4.59 -0.23 1.44 -4.23 -0.91 -0.76 115.64 114.53 3h6s s THR 63 Ca 0.06 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3h6s s THR 63 Cb -0.09 -3.60 0.08 0.00 1.34 0.00 0.00 72.50 70.23 3h6s s THR 63 CO 0.03 -0.24 0.10 -0.63 -0.54 0.00 0.00 174.62 173.34 3h6s s ILE 64 N -2.09 0.13 0.16 2.99 1.01 -1.26 -4.22 121.20 117.91 3h6s s ILE 64 Ca 0.40 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.55 3h6s s ILE 64 Cb -0.09 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 3h6s s ILE 64 CO 0.30 -0.48 -0.14 -0.54 0.00 0.00 0.00 174.94 174.09 3h6s s LYS 65 N 2.02 1.93 0.16 2.79 1.02 0.40 -1.00 119.74 127.06 3h6s s LYS 65 Ca 0.05 -1.25 -0.11 0.00 0.02 0.00 0.00 55.97 54.69 3h6s s LYS 65 Cb -0.16 -2.13 -0.07 0.00 -0.52 0.00 0.00 37.83 34.95 3h6s s LYS 65 CO -0.21 0.45 0.50 -0.47 -0.92 0.00 0.00 175.35 174.70 3h6s s TYR 66 N -1.49 3.52 0.00 3.18 5.04 -0.11 0.05 117.35 127.55 3h6s s TYR 66 Ca 0.22 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 3h6s s TYR 66 Cb -0.09 -2.25 0.00 0.00 0.35 0.00 0.00 41.96 39.97 3h6s s TYR 66 CO 0.13 0.39 0.02 1.04 -1.34 0.00 0.00 175.55 175.79 3h6s n GLN 67 N 0.41 4.09 0.00 4.97 6.02 -1.26 -4.41 117.38 127.20 3h6s n GLN 67 Ca -0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3h6s n GLN 67 Cb 0.52 -0.33 0.00 0.00 1.02 0.00 0.00 30.24 31.45 3h6s n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h6s n GLY 68 N 0.59 0.00 5.77 1.08 0.00 -1.26 -4.40 105.19 106.96 3h6s n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h6s n GLY 68 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h6s n LEU 69 N 0.00 0.00 -0.01 0.99 0.00 -1.26 -3.08 117.00 113.64 3h6s n LEU 69 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 56.01 3h6s n LEU 69 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.42 3h6s n LEU 69 CO 0.00 0.00 -0.03 0.78 0.00 0.00 0.00 177.39 178.14 3h6s h ASN 70 N 0.00 0.00 -4.12 1.96 4.21 -2.04 -3.52 115.58 112.08 3h6s h ASN 70 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3h6s h ASN 70 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3h6s h ASN 70 CO 0.00 0.08 -0.78 0.00 -1.29 0.00 0.00 177.43 175.44 3h6s n ALA 71 N -2.37 -1.78 -0.05 -0.83 0.00 -1.18 -4.88 120.51 109.43 3h6s n ALA 71 Ca -0.01 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.86 3h6s n ALA 71 Cb 0.02 -1.28 0.40 0.00 0.00 0.00 0.00 19.45 18.59 3h6s n ALA 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h6s h PRO 72 N 3.79 0.61 0.00 0.00 0.13 -1.99 -3.40 132.00 131.14 3h6s h PRO 72 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3h6s h PRO 72 Cb 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 30.99 3h6s h PRO 72 CO 0.00 0.40 0.00 1.97 -0.23 0.00 0.00 178.00 180.14 3h6s n PHE 73 N -4.47 0.00 -2.45 1.56 1.16 -1.26 -5.10 117.46 106.90 3h6s n PHE 73 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.62 3h6s n PHE 73 Cb 0.08 0.10 -0.01 0.00 -1.61 0.00 0.00 39.48 38.05 3h6s n PHE 73 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 3h6s n GLU 74 N 0.00 -3.01 -4.56 3.97 0.00 -1.26 -5.06 120.64 110.72 3h6s n GLU 74 Ca 0.00 2.46 -0.26 0.00 0.00 0.00 0.00 57.16 59.37 3h6s n GLU 74 Cb 0.45 -4.46 -0.11 0.00 0.00 0.00 0.00 31.44 27.32 3h6s n GLU 74 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 3h6s s TYR 75 N -1.14 2.32 0.00 4.31 -0.85 -1.26 -4.73 117.35 116.00 3h6s s TYR 75 Ca -0.05 -0.77 0.00 0.00 -0.52 0.00 0.00 57.07 55.72 3h6s s TYR 75 Cb 0.00 -1.60 0.00 0.00 0.38 0.00 0.00 41.96 40.75 3h6s s TYR 75 CO 0.63 0.29 0.00 0.41 -1.52 0.00 0.00 175.55 175.36 3h6s n GLY 76 N -0.87 2.38 3.73 5.49 0.00 0.66 -0.93 105.19 115.65 3h6s n GLY 76 Ca -0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3h6s n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h6s s PHE 77 N -2.71 2.94 0.31 1.61 2.99 -0.17 -1.36 117.98 121.59 3h6s s PHE 77 Ca 0.00 0.63 -0.16 0.00 0.00 0.00 0.00 56.93 57.40 3h6s s PHE 77 Cb 0.00 -4.01 0.02 0.00 0.00 0.00 0.00 43.02 39.03 3h6s s PHE 77 CO 0.00 -3.64 0.67 0.45 -0.00 0.00 0.00 175.22 172.70 3h6s s SER 78 N 0.90 -0.03 -0.23 1.36 0.15 -1.26 -1.17 113.70 113.41 3h6s s SER 78 Ca 0.69 -0.92 -0.19 0.00 0.70 0.00 0.00 55.95 56.23 3h6s s SER 78 Cb -0.46 0.73 0.06 0.00 -1.71 0.00 0.00 66.02 64.65 3h6s s SER 78 CO 0.37 -1.41 0.61 -0.72 1.20 0.00 0.00 173.24 173.29 3h6s s TYR 79 N -3.36 -0.75 0.00 3.44 1.13 -1.26 -4.49 117.35 112.07 3h6s s TYR 79 Ca 0.16 1.71 0.00 0.00 -1.41 0.00 0.00 57.07 57.54 3h6s s TYR 79 Cb -0.04 0.32 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 3h6s s TYR 79 CO 0.10 -0.37 0.00 -3.47 -2.51 0.00 0.00 175.55 169.30 3h6s n ASP 80 N 3.24 0.00 -2.75 -0.18 -0.08 -1.26 -5.01 116.55 110.50 3h6s n ASP 80 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 3h6s n ASP 80 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 3h6s n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h6s n GLN 81 N -0.92 1.37 0.00 -0.67 1.13 -1.26 -5.21 117.38 111.81 3h6s n GLN 81 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3h6s n GLN 81 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 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 0.00 0.00 -1.66 -1.09 0.28 -1.26 -4.89 120.64 112.02 3h6s n GLU 83 Ca 0.00 0.00 -0.50 0.00 -0.16 0.00 0.00 57.16 56.50 3h6s n GLU 83 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 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 -1.21 1.72 -0.95 3.44 -0.06 -1.26 -1.09 117.38 117.96 3h6s n GLN 84 Ca 0.00 0.63 0.00 0.00 -2.00 0.00 0.00 57.00 55.63 3h6s n GLN 84 Cb 0.00 -2.37 0.00 0.00 -4.06 0.00 0.00 30.24 23.81 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 4.47 -3.82 -4.71 1.69 3.02 0.15 -4.99 115.26 111.07 3h6s n ASN 85 Ca 0.21 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.40 3h6s n ASN 85 Cb 0.24 -1.97 0.09 0.00 -0.61 0.00 0.00 39.78 37.53 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 0.65 -2.20 5.41 0.00 -0.25 -4.67 120.51 120.46 3h6s n ALA 86 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 3h6s n ALA 86 Cb 0.22 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 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 -3.65 4.18 1.03 0.00 0.04 -1.26 -0.69 135.00 134.65 3h6s s PRO 87 Ca 0.79 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 3h6s s PRO 87 Cb -0.35 -2.99 0.21 0.00 0.04 0.00 0.00 34.50 31.41 3h6s s PRO 87 CO 0.45 0.48 1.11 0.08 0.04 0.00 0.00 177.00 179.15 3h6s s VAL 88 N -1.40 1.92 -0.54 -0.36 1.01 -0.53 -4.81 120.40 115.70 3h6s s VAL 88 Ca 0.38 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.43 3h6s s VAL 88 Cb -0.17 -2.55 0.25 0.00 0.00 0.00 0.00 36.38 33.91 3h6s s VAL 88 CO 0.20 0.00 0.65 0.00 0.00 0.00 0.00 175.10 175.96 3h6s n ALA 90 N -4.24 3.40 -2.66 5.51 0.00 -0.58 -1.09 120.51 120.84 3h6s n ALA 90 Ca 0.07 -4.21 0.00 0.00 0.00 0.00 0.00 53.44 49.30 3h6s n ALA 90 Cb 0.58 -0.86 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 1.08 4.80 3.67 0.00 0.00 -0.47 -0.76 105.19 113.52 3h6s n GLY 91 Ca 0.26 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3h6s n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h6s s ASP 92 N 0.32 6.52 -0.39 1.61 -1.08 -1.26 -0.24 116.67 122.15 3h6s s ASP 92 Ca 0.00 2.56 -0.41 0.00 -0.52 0.00 0.00 52.55 54.18 3h6s s ASP 92 Cb 0.00 -2.55 -0.16 0.00 -1.46 0.00 0.00 42.92 38.75 3h6s s ASP 92 CO 0.00 -0.98 1.94 -2.65 0.52 0.00 0.00 175.17 174.00 3h6s n PRO 93 N 6.55 0.65 -2.37 4.34 -0.02 -1.26 -4.66 135.00 138.23 3h6s n PRO 93 Ca 0.18 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 3h6s n PRO 93 Cb 0.41 -1.94 0.10 0.00 -0.02 0.00 0.00 33.50 32.04 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 4.79 1.79 -0.09 -0.52 -0.14 -0.32 -5.01 119.74 120.23 3h6s s LYS 94 Ca 1.08 -0.69 -0.05 0.00 -1.36 0.00 0.00 55.97 54.94 3h6s s LYS 94 Cb -1.20 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 3h6s s LYS 94 CO 0.64 -1.44 0.13 -1.21 -0.76 0.00 0.00 175.35 172.72 3h6s s GLU 95 N -5.24 3.37 0.07 1.68 2.02 -1.26 -4.33 118.70 115.01 3h6s s GLU 95 Ca 0.64 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.45 3h6s s GLU 95 Cb -0.07 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 3h6s s GLU 95 CO 0.45 0.75 -0.08 0.71 0.02 0.00 0.00 175.26 177.10 3h6s s TYR 96 N -1.08 0.84 -0.29 1.61 1.51 0.06 -4.40 117.35 115.61 3h6s s TYR 96 Ca 0.17 -0.63 -0.14 0.00 -1.01 0.00 0.00 57.07 55.47 3h6s s TYR 96 Cb -0.12 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 3h6s s TYR 96 CO 0.07 -0.08 0.30 0.42 -1.11 0.00 0.00 175.55 175.16 3h6s s ILE 97 N -2.14 5.22 -0.55 2.71 1.01 0.99 -1.02 121.20 127.42 3h6s s ILE 97 Ca -0.01 0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.77 3h6s s ILE 97 Cb -0.05 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.84 3h6s s ILE 97 CO -0.01 0.14 0.68 -0.76 0.00 0.00 0.00 174.94 175.00 3h6s s LEU 98 N 1.94 5.06 -0.26 2.97 1.02 -1.26 -1.03 118.68 127.12 3h6s s LEU 98 Ca 0.11 -1.09 -0.10 0.00 0.02 0.00 0.00 54.13 53.08 3h6s s LEU 98 Cb -0.16 -2.40 -0.04 0.00 0.02 0.00 0.00 46.19 43.60 3h6s s LEU 98 CO 0.11 -1.01 0.14 -1.58 0.02 0.00 0.00 176.35 174.02 3h6s s GLN 99 N 2.77 3.85 0.20 1.70 0.74 -0.89 -3.59 119.66 124.45 3h6s s GLN 99 Ca 0.15 -0.38 -0.32 0.00 0.05 0.00 0.00 55.36 54.86 3h6s s GLN 99 Cb -0.21 -3.52 -0.12 0.00 1.10 0.00 0.00 33.01 30.27 3h6s s GLN 99 CO 0.10 -0.16 1.73 -0.11 -0.55 0.00 0.00 175.29 176.30 3h6s n LEU 100 N 4.92 3.99 -4.68 3.68 7.94 -1.13 -0.13 117.00 131.60 3h6s n LEU 100 Ca -0.15 1.06 -0.41 0.00 -1.11 0.00 0.00 56.01 55.40 3h6s n LEU 100 Cb 0.52 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.85 3h6s n LEU 100 CO 0.32 0.18 0.57 0.68 -1.11 0.00 0.00 177.39 178.04 3h6s s VAL 101 N 1.26 4.91 0.34 1.96 -7.23 0.12 -4.45 120.40 117.32 3h6s s VAL 101 Ca 0.76 1.61 -0.27 0.00 -1.81 0.00 0.00 61.98 62.26 3h6s s VAL 101 Cb -0.51 -4.12 -0.12 0.00 0.56 0.00 0.00 36.38 32.18 3h6s s VAL 101 CO 0.33 0.07 1.12 -0.81 -0.31 0.00 0.00 175.10 175.50 3h6s n PRO 102 N 4.92 1.66 -2.54 4.82 -0.04 -1.26 -2.82 135.00 139.74 3h6s n PRO 102 Ca 0.03 0.58 -0.08 0.00 -0.04 0.00 0.00 63.50 64.00 3h6s n PRO 102 Cb 0.49 -2.08 0.01 0.00 -0.04 0.00 0.00 33.50 31.89 3h6s n PRO 102 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3h6s n SER 103 N 0.87 -3.15 -3.76 3.54 7.64 -1.26 -5.01 113.62 112.50 3h6s n SER 103 Ca 0.08 -0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.72 3h6s n SER 103 Cb 0.35 -2.05 -0.09 0.00 -1.01 0.00 0.00 64.21 61.41 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 -2.77 0.04 -0.08 0.44 2.01 -1.13 -5.07 115.64 109.08 3h6s s THR 104 Ca 0.11 -0.34 0.21 0.00 0.31 0.00 0.00 61.69 61.98 3h6s s THR 104 Cb -0.05 -0.58 -0.29 0.00 0.01 0.00 0.00 72.50 71.59 3h6s s THR 104 CO 0.14 -0.19 0.43 0.35 -0.69 0.00 0.00 174.62 174.66 3h6s n THR 105 N 1.72 0.40 -2.01 -0.82 -2.24 -1.26 -4.76 114.28 105.30 3h6s n THR 105 Ca -0.19 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 3h6s n THR 105 Cb 0.56 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -2.42 0.02 -4.50 3.42 3.85 -1.26 -4.99 116.55 110.66 3h6s n ASP 106 Ca -0.11 -1.76 -0.38 0.00 -0.71 0.00 0.00 54.79 51.84 3h6s n ASP 106 Cb 0.71 -0.15 -0.12 0.00 -1.35 0.00 0.00 41.12 40.22 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 0.00 4.81 0.21 2.12 1.01 -1.26 -1.13 120.40 126.16 3h6s s VAL 107 Ca 0.01 -0.12 0.11 0.00 0.00 0.00 0.00 61.98 61.98 3h6s s VAL 107 Cb 0.01 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3h6s s VAL 107 CO -0.00 0.21 -0.18 -0.31 0.00 0.00 0.00 175.10 174.82 3h6s s TYR 108 N 1.67 2.41 -0.17 5.22 1.51 0.81 0.16 117.35 128.97 3h6s s TYR 108 Ca 0.06 -0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 3h6s s TYR 108 Cb -0.16 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.49 3h6s s TYR 108 CO 0.07 0.55 0.21 0.42 -1.11 0.00 0.00 175.55 175.70 3h6s s ILE 109 N -1.88 5.36 -0.45 2.71 1.01 0.82 -0.24 121.20 128.53 3h6s s ILE 109 Ca 0.24 0.37 -0.17 0.00 0.00 0.00 0.00 60.65 61.09 3h6s s ILE 109 Cb -0.07 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.89 3h6s s ILE 109 CO 0.13 0.44 0.44 -0.63 0.00 0.00 0.00 174.94 175.31 3h6s s ILE 110 N 0.22 5.12 -0.16 2.92 1.01 -1.26 -2.09 121.20 126.96 3h6s s ILE 110 Ca 0.13 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 3h6s s ILE 110 Cb -0.12 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 3h6s s ILE 110 CO 0.02 -0.51 0.10 -0.13 0.00 0.00 0.00 174.94 174.42 3h6s s ARG 111 N 2.02 3.80 0.18 2.79 0.52 -0.20 -0.73 118.95 127.33 3h6s s ARG 111 Ca 0.09 -0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 3h6s s ARG 111 Cb -0.20 -3.23 -0.08 0.00 0.52 0.00 0.00 34.95 31.97 3h6s s ARG 111 CO 0.11 0.46 1.16 0.00 0.02 0.00 0.00 175.30 177.05 3h6s s ALA 112 N -0.14 3.41 -1.47 2.13 0.00 -0.58 -0.01 121.76 125.10 3h6s s ALA 112 Ca 0.09 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 3h6s s ALA 112 Cb -0.12 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3h6s s ALA 112 CO 0.01 -0.31 2.49 -0.35 0.00 0.00 0.00 175.76 177.60 3h6s n PRO 113 N 2.51 3.08 -0.61 0.00 -0.04 -1.26 -4.42 135.00 134.25 3h6s n PRO 113 Ca 0.04 -2.36 0.05 0.00 -0.04 0.00 0.00 63.50 61.20 3h6s n PRO 113 Cb 0.45 -3.04 0.10 0.00 -0.04 0.00 0.00 33.50 30.97 3h6s n PRO 113 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3h6s n ILE 114 N 4.52 1.12 -0.01 0.52 0.13 -1.26 -4.88 119.36 119.50 3h6s n ILE 114 Ca 0.62 -1.70 -0.00 0.00 -1.10 0.00 0.00 62.75 60.56 3h6s n ILE 114 Cb 0.32 0.20 0.30 0.00 -0.84 0.00 0.00 39.64 39.61 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 0.47 0.54 0.00 9.51 7.50 -1.77 -2.10 115.11 129.26 3h6s h GLN 115 Ca -0.05 -0.11 0.00 0.00 0.50 0.00 0.00 58.65 58.99 3h6s h GLN 115 Cb 1.29 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.74 3h6s h GLN 115 CO 0.02 0.56 0.02 0.54 -1.50 0.00 0.00 178.83 178.46 3h6s n ARG 116 N -4.29 0.05 0.05 1.46 1.74 -1.26 0.01 116.66 114.42 3h6s n ARG 116 Ca 0.02 0.54 0.12 0.00 -0.77 0.00 0.00 57.85 57.75 3h6s n ARG 116 Cb 0.24 -1.67 0.48 0.00 -1.02 0.00 0.00 32.46 30.49 3h6s n ARG 116 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3h6s n VAL 117 N -1.74 0.47 -0.34 1.55 0.31 -0.79 -4.92 118.33 112.87 3h6s n VAL 117 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3h6s n VAL 117 Cb 0.03 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 3h6s n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h6s n GLY 118 N 0.98 0.83 3.17 2.92 0.00 0.10 -5.09 105.19 108.10 3h6s n GLY 118 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 0.42 -0.22 1.61 -7.23 -1.25 -4.33 120.40 107.39 3h6s s VAL 119 Ca 0.00 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 3h6s s VAL 119 Cb 0.00 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 3h6s s VAL 119 CO 0.00 -0.62 0.18 -1.81 -0.31 0.00 0.00 175.10 172.54 3h6s s ASP 120 N -3.07 6.19 -0.19 4.85 -0.00 0.46 -4.23 116.67 120.69 3h6s s ASP 120 Ca 0.19 0.20 -0.00 0.00 -0.00 0.00 0.00 52.55 52.94 3h6s s ASP 120 Cb 0.07 -2.12 0.01 0.00 -0.00 0.00 0.00 42.92 40.88 3h6s s ASP 120 CO -0.00 0.08 -0.17 -0.69 -0.00 0.00 0.00 175.17 174.39 3h6s s VAL 121 N 0.88 2.35 0.03 -1.27 1.01 -1.26 -0.67 120.40 121.47 3h6s s VAL 121 Ca 0.09 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3h6s s VAL 121 Cb -0.13 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3h6s s VAL 121 CO 0.03 0.51 -0.18 -1.61 0.00 0.00 0.00 175.10 173.85 3h6s s GLU 122 N 1.32 1.30 -0.26 2.72 2.02 0.12 -1.53 118.70 124.39 3h6s s GLU 122 Ca 0.05 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 3h6s s GLU 122 Cb -0.13 -1.34 -0.01 0.00 0.10 0.00 0.00 34.13 32.74 3h6s s GLU 122 CO -0.11 0.35 1.41 0.08 0.02 0.00 0.00 175.26 177.01 3h6s s VAL 123 N -0.70 4.00 0.00 2.63 1.01 0.09 -0.48 120.40 126.94 3h6s s VAL 123 Ca 0.06 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3h6s s VAL 123 Cb -0.08 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3h6s s VAL 123 CO 0.01 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.34 3h6s n GLY 124 N 4.36 6.62 2.95 4.51 0.00 0.73 -4.58 105.19 119.79 3h6s n GLY 124 Ca 0.16 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 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 0.26 0.53 -0.21 1.61 1.01 -1.26 -1.35 120.40 120.99 3h6s s VAL 125 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3h6s s VAL 125 Cb 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.95 3h6s s VAL 125 CO 0.00 0.17 -0.07 -1.58 0.00 0.00 0.00 175.10 173.62 3h6s s GLN 126 N 0.18 1.73 7.94 2.72 0.74 0.87 -4.89 119.66 128.94 3h6s s GLN 126 Ca -0.02 -0.88 0.00 0.00 0.05 0.00 0.00 55.36 54.51 3h6s s GLN 126 Cb -0.06 -2.45 0.00 0.00 1.10 0.00 0.00 33.01 31.59 3h6s s GLN 126 CO -0.00 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 3h6s n GLY 127 N 4.70 3.10 0.51 2.59 0.00 -1.26 -1.62 105.19 113.21 3h6s n GLY 127 Ca -0.13 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 9.06 3.01 -4.52 1.61 4.13 -1.26 -4.95 115.26 122.33 3h6s n ASN 128 Ca 0.00 -3.13 -0.34 0.00 1.68 0.00 0.00 54.58 52.80 3h6s n ASN 128 Cb 0.00 -0.50 -0.12 0.00 -1.54 0.00 0.00 39.78 37.63 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 -2.46 4.81 0.03 6.41 -0.87 -0.64 0.20 114.94 122.42 3h6s s ASN 129 Ca 0.37 -0.10 -0.30 0.00 -1.57 0.00 0.00 52.86 51.26 3h6s s ASN 129 Cb 0.32 -1.71 -0.05 0.00 -0.02 0.00 0.00 41.25 39.79 3h6s s ASN 129 CO 0.05 0.20 1.15 -0.76 -2.57 0.00 0.00 177.10 175.17 3h6s s LEU 130 N 0.18 4.35 0.07 0.60 1.02 -0.67 -0.09 118.68 124.14 3h6s s LEU 130 Ca -0.02 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.04 3h6s s LEU 130 Cb -0.14 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 3h6s s LEU 130 CO 0.03 -0.45 -0.05 0.68 0.02 0.00 0.00 176.35 176.58 3h6s s VAL 131 N 1.27 0.44 -0.18 -1.59 -7.23 -0.45 -1.45 120.40 111.21 3h6s s VAL 131 Ca 0.57 -1.84 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 3h6s s VAL 131 Cb -0.27 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 3h6s s VAL 131 CO 0.28 -0.92 0.93 -0.31 -0.31 0.00 0.00 175.10 174.76 3h6s s TYR 132 N -3.70 3.41 -0.14 2.82 1.51 0.14 -0.19 117.35 121.20 3h6s s TYR 132 Ca 0.08 1.38 -0.04 0.00 -1.01 0.00 0.00 57.07 57.49 3h6s s TYR 132 Cb 0.06 -3.13 -0.03 0.00 -0.11 0.00 0.00 41.96 38.75 3h6s s TYR 132 CO -0.07 -0.31 -0.00 0.15 -1.11 0.00 0.00 175.55 174.20 3h6s s LYS 133 N 2.45 3.53 -0.21 -0.62 -0.14 0.37 -0.67 119.74 124.44 3h6s s LYS 133 Ca 0.42 -0.44 -0.13 0.00 -1.36 0.00 0.00 55.97 54.45 3h6s s LYS 133 Cb -0.16 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 3h6s s LYS 133 CO 0.12 0.40 0.29 -0.06 -0.76 0.00 0.00 175.35 175.33 3h6s s PHE 134 N -0.03 3.36 0.01 3.18 0.40 -1.26 -0.70 117.98 122.94 3h6s s PHE 134 Ca 0.03 0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.86 3h6s s PHE 134 Cb -0.13 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 3h6s s PHE 134 CO 0.02 0.05 -0.16 -0.06 0.70 0.00 0.00 175.22 175.76 3h6s s PHE 135 N 1.12 1.46 0.44 0.36 0.40 0.16 -4.98 117.98 116.92 3h6s s PHE 135 Ca 0.14 -0.31 -0.25 0.00 -0.60 0.00 0.00 56.93 55.91 3h6s s PHE 135 Cb -0.14 -0.90 -0.08 0.00 0.51 0.00 0.00 43.02 42.41 3h6s s PHE 135 CO 0.06 0.02 1.32 -1.25 0.70 0.00 0.00 175.22 176.07 3h6s s PRO 136 N -0.74 3.78 -1.34 0.24 0.04 -1.26 -0.40 135.00 135.31 3h6s s PRO 136 Ca 0.05 2.19 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 3h6s s PRO 136 Cb -0.07 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 3h6s s PRO 136 CO 0.00 -0.66 2.31 0.28 0.04 0.00 0.00 177.00 178.97 3h6s n VAL 137 N -0.15 3.28 -3.30 -0.36 0.31 -1.26 -4.71 118.33 112.13 3h6s n VAL 137 Ca 0.05 -2.59 -0.38 0.00 -0.01 0.00 0.00 64.34 61.40 3h6s n VAL 137 Cb 0.44 -2.53 -0.07 0.00 -0.91 0.00 0.00 33.84 30.77 3h6s n VAL 137 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3h6s s ASP 138 N 3.33 6.59 -0.77 4.52 1.01 -1.26 -4.99 116.67 125.09 3h6s s ASP 138 Ca 0.53 0.71 -0.15 0.00 0.71 0.00 0.00 52.55 54.34 3h6s s ASP 138 Cb 0.15 -2.28 -0.12 0.00 1.01 0.00 0.00 42.92 41.68 3h6s s ASP 138 CO -0.05 -0.08 1.95 0.61 0.21 0.00 0.00 175.17 177.81 3h6s n GLY 139 N 3.61 2.69 0.00 0.21 0.00 -1.26 -3.54 105.19 106.90 3h6s n GLY 139 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3h6s n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h6s n SER 140 N 6.21 0.00 -0.26 1.61 7.64 -1.26 -5.16 113.62 122.40 3h6s n SER 140 Ca 0.46 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.34 3h6s n SER 140 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3h6s n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h6s n GLY 141 N 0.00 -1.33 0.00 0.23 0.00 -1.23 -5.02 105.19 97.84 3h6s n GLY 141 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 -0.64 2.79 -0.02 0.00 -1.26 -5.04 105.19 101.02 3h6s n GLY 142 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -7.80 -4.71 1.61 2.03 -1.26 -5.06 116.55 101.36 3h6s n ASP 143 Ca 0.00 0.62 -0.24 0.00 0.52 0.00 0.00 54.79 55.69 3h6s n ASP 143 Cb 0.00 -5.27 -0.06 0.00 -0.72 0.00 0.00 41.12 35.07 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 -2.45 2.55 0.38 -0.67 1.81 -1.26 -4.94 118.95 114.36 3h6s s ARG 144 Ca 0.22 -1.17 -0.23 0.00 -1.72 0.00 0.00 55.73 52.83 3h6s s ARG 144 Cb -0.06 -2.37 -0.10 0.00 -0.45 0.00 0.00 34.95 31.96 3h6s s ARG 144 CO 0.75 0.41 0.94 -1.25 -0.68 0.00 0.00 175.30 175.47 3h6s s PRO 145 N -3.43 4.36 0.23 3.54 0.04 -1.26 -1.20 135.00 137.29 3h6s s PRO 145 Ca 0.30 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.44 3h6s s PRO 145 Cb -0.08 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 3h6s s PRO 145 CO 0.21 0.10 0.36 0.00 0.04 0.00 0.00 177.00 177.71 3h6s s ALA 146 N -1.94 0.25 -0.05 8.56 0.00 -0.82 -4.70 121.76 123.07 3h6s s ALA 146 Ca 0.57 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3h6s s ALA 146 Cb -0.13 1.18 0.02 0.00 0.00 0.00 0.00 23.12 24.20 3h6s s ALA 146 CO 0.17 -0.76 -0.03 -1.58 0.00 0.00 0.00 175.76 173.57 3h6s s TRP 147 N -4.06 0.67 -0.19 0.00 0.52 0.66 -0.39 118.94 116.15 3h6s s TRP 147 Ca 0.28 -0.17 -0.23 0.00 0.02 0.00 0.00 56.10 56.00 3h6s s TRP 147 Cb 0.02 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.65 3h6s s TRP 147 CO 0.10 -0.23 0.74 0.50 0.02 0.00 0.00 176.95 178.09 3h6s s ARG 148 N 1.25 4.25 -0.35 4.98 3.52 0.10 -0.13 118.95 132.56 3h6s s ARG 148 Ca -0.06 0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 56.27 3h6s s ARG 148 Cb -0.14 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 3h6s s ARG 148 CO -0.02 -0.31 0.19 -0.06 -0.81 0.00 0.00 175.30 174.29 3h6s s PHE 149 N 2.13 3.22 -0.26 5.12 0.40 -0.29 -0.61 117.98 127.69 3h6s s PHE 149 Ca 0.34 -0.77 -0.04 0.00 -0.60 0.00 0.00 56.93 55.85 3h6s s PHE 149 Cb -0.16 -2.41 0.01 0.00 0.51 0.00 0.00 43.02 40.97 3h6s s PHE 149 CO 0.11 -0.56 -0.01 0.95 0.70 0.00 0.00 175.22 176.41 3h6s s THR 150 N 1.58 3.38 0.32 0.64 -4.23 -0.93 -4.86 115.64 111.55 3h6s s THR 150 Ca 0.03 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.48 3h6s s THR 150 Cb -0.18 -2.68 -0.12 0.00 1.34 0.00 0.00 72.50 70.85 3h6s s THR 150 CO 0.07 0.21 1.31 0.54 -0.54 0.00 0.00 174.62 176.21 3h6s n ARG 151 N 4.77 2.13 0.00 3.99 5.12 -1.26 -2.48 116.66 128.92 3h6s n ARG 151 Ca -0.16 0.75 0.14 0.00 -1.93 0.00 0.00 57.85 56.65 3h6s n ARG 151 Cb 0.48 -2.35 0.59 0.00 -1.16 0.00 0.00 32.46 30.03 3h6s n ARG 151 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09