#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1q s VAL 41 N 0.00 3.05 0.65 4.08 1.01 -1.26 -5.10 120.40 122.83 3n1q s VAL 41 Ca 0.00 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.61 3n1q s VAL 41 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3n1q s VAL 41 CO 0.00 0.01 0.80 -0.81 0.00 0.00 0.00 175.10 175.10 3n1q n PRO 42 N 4.66 0.61 -3.00 2.72 -0.04 -1.26 -4.79 135.00 133.91 3n1q n PRO 42 Ca -0.14 0.25 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 3n1q n PRO 42 Cb 0.45 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 3n1q n PRO 42 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3n1q s LEU 43 N -1.43 4.27 0.48 1.53 1.43 -0.69 -4.92 118.68 119.35 3n1q s LEU 43 Ca 0.72 1.53 -0.16 0.00 -1.03 0.00 0.00 54.13 55.20 3n1q s LEU 43 Cb -0.39 -3.85 -0.08 0.00 0.03 0.00 0.00 46.19 41.90 3n1q s LEU 43 CO 0.51 -0.06 0.94 -0.76 0.23 0.00 0.00 176.35 177.20 3n1q s LEU 44 N -2.24 3.70 0.25 1.79 1.43 -1.26 -4.54 118.68 117.80 3n1q s LEU 44 Ca 0.48 1.49 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 3n1q s LEU 44 Cb -0.16 -4.40 -0.14 0.00 0.03 0.00 0.00 46.19 41.52 3n1q s LEU 44 CO 0.21 -0.53 1.23 0.00 0.23 0.00 0.00 176.35 177.48 3n1q n TYR 45 N -1.43 1.73 -0.91 0.29 9.36 -1.26 -1.05 117.16 123.89 3n1q n TYR 45 Ca 0.06 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.86 3n1q n TYR 45 Cb 0.54 -2.35 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 3n1q n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1q n LYS 46 N 1.40 -0.18 -3.30 2.98 4.76 -0.86 -5.01 118.16 117.95 3n1q n LYS 46 Ca 0.11 0.04 -0.38 0.00 -2.87 0.00 0.00 58.31 55.21 3n1q n LYS 46 Cb 0.31 -3.20 -0.06 0.00 -1.84 0.00 0.00 35.03 30.24 3n1q n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1q s GLN 47 N -0.35 4.24 0.04 1.97 0.74 -0.22 -4.86 119.66 121.23 3n1q s GLN 47 Ca 0.00 0.59 0.05 0.00 0.05 0.00 0.00 55.36 56.05 3n1q s GLN 47 Cb 0.00 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 3n1q s GLN 47 CO 0.00 0.39 -0.16 -0.59 -0.55 0.00 0.00 175.29 174.38 3n1q s PHE 48 N -0.18 1.35 -0.06 1.67 -0.71 -1.26 -1.68 117.98 117.11 3n1q s PHE 48 Ca 0.28 -0.36 0.01 0.00 -1.04 0.00 0.00 56.93 55.81 3n1q s PHE 48 Cb -0.17 -0.80 0.02 0.00 -1.21 0.00 0.00 43.02 40.86 3n1q s PHE 48 CO 0.15 0.05 -0.05 0.08 -1.34 0.00 0.00 175.22 174.10 3n1q s VAL 49 N -0.86 0.66 0.75 -2.49 1.01 0.11 -2.84 120.40 116.75 3n1q s VAL 49 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 3n1q s VAL 49 Cb -0.08 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.65 3n1q s VAL 49 CO 0.01 0.27 1.10 -2.16 0.00 0.00 0.00 175.10 174.32 3n1q s PRO 50 N 1.21 2.35 -0.64 2.72 0.04 -1.26 -1.30 135.00 138.11 3n1q s PRO 50 Ca -0.06 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 3n1q s PRO 50 Cb -0.14 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3n1q s PRO 50 CO -0.02 -1.58 2.14 0.41 0.04 0.00 0.00 177.00 178.00 3n1q n GLY 51 N -1.03 2.82 3.16 0.56 0.00 -1.13 -4.76 105.19 104.80 3n1q n GLY 51 Ca 0.09 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3n1q n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n1q s VAL 52 N 2.97 0.17 0.37 1.61 -7.23 -1.26 -5.10 120.40 111.93 3n1q s VAL 52 Ca 0.39 -1.49 -0.26 0.00 -1.81 0.00 0.00 61.98 58.81 3n1q s VAL 52 Cb 0.12 -1.48 -0.12 0.00 0.56 0.00 0.00 36.38 35.46 3n1q s VAL 52 CO -0.02 -0.76 1.04 -2.65 -0.31 0.00 0.00 175.10 172.40 3n1q n PRO 53 N -0.00 1.45 0.12 4.82 -0.02 -1.26 -4.82 135.00 135.29 3n1q n PRO 53 Ca -0.14 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 3n1q n PRO 53 Cb 0.62 -2.02 0.42 0.00 -0.02 0.00 0.00 33.50 32.50 3n1q n PRO 53 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3n1q n GLU 54 N 0.38 0.10 -0.66 -0.52 2.13 -1.26 -1.72 120.64 119.08 3n1q n GLU 54 Ca 0.09 0.59 0.09 0.00 0.66 0.00 0.00 57.16 58.58 3n1q n GLU 54 Cb 0.37 -1.87 0.36 0.00 0.27 0.00 0.00 31.44 30.56 3n1q n GLU 54 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3n1q n ARG 55 N -2.04 3.96 -3.78 5.31 5.12 -1.25 -3.00 116.66 120.98 3n1q n ARG 55 Ca -0.01 -2.94 -0.23 0.00 -1.93 0.00 0.00 57.85 52.74 3n1q n ARG 55 Cb 0.07 -1.97 -0.02 0.00 -1.16 0.00 0.00 32.46 29.38 3n1q n ARG 55 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3n1q s THR 56 N -2.14 5.22 0.34 0.55 -4.23 -0.70 -4.07 115.64 110.61 3n1q s THR 56 Ca 0.51 -0.71 0.31 0.00 -1.18 0.00 0.00 61.69 60.61 3n1q s THR 56 Cb 0.35 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.70 3n1q s THR 56 CO 0.21 -0.33 2.06 -0.07 -0.54 0.00 0.00 174.62 175.95 3n1q h LEU 57 N 1.34 0.00 -0.06 4.79 3.38 -1.90 0.27 115.31 123.12 3n1q h LEU 57 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3n1q h LEU 57 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3n1q h LEU 57 CO 0.63 0.09 -0.10 0.61 0.09 0.00 0.00 178.44 179.76 3n1q n GLY 58 N -0.45 -1.27 0.00 0.83 0.00 -1.26 -4.69 105.19 98.35 3n1q n GLY 58 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3n1q n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1q n ALA 59 N -1.31 0.00 0.00 4.61 0.00 -0.04 -4.74 120.51 119.04 3n1q n ALA 59 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 3n1q n ALA 59 Cb 0.30 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.84 3n1q n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1q n SER 60 N 0.00 2.43 -0.04 0.00 7.64 -1.16 -4.61 113.62 117.87 3n1q n SER 60 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.06 3n1q n SER 60 Cb 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3n1q n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1q n GLY 61 N 0.34 -1.93 3.94 0.23 0.00 -0.47 -4.10 105.19 103.20 3n1q n GLY 61 Ca 0.08 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 3n1q n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3n1q s PRO 62 N 0.00 3.26 -0.28 1.61 0.04 -1.26 -3.82 135.00 134.55 3n1q s PRO 62 Ca 0.00 -0.31 -0.29 0.00 0.04 0.00 0.00 61.00 60.44 3n1q s PRO 62 Cb 0.00 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.99 3n1q s PRO 62 CO 0.00 -0.16 1.36 0.00 0.04 0.00 0.00 177.00 178.24 3n1q s ALA 63 N -2.54 3.35 -2.03 8.56 0.00 -1.26 -4.89 121.76 122.96 3n1q s ALA 63 Ca 0.46 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.68 3n1q s ALA 63 Cb -0.10 -3.78 0.32 0.00 0.00 0.00 0.00 23.12 19.56 3n1q s ALA 63 CO 0.39 -1.79 1.23 0.39 0.00 0.00 0.00 175.76 175.98 3n1q n GLU 64 N 7.36 1.32 0.00 0.00 1.02 -1.26 -4.99 120.64 124.09 3n1q n GLU 64 Ca 0.15 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 3n1q n GLU 64 Cb 0.46 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 3n1q n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1q n GLY 65 N 0.77 0.71 2.99 0.62 0.00 -1.26 -5.05 105.19 103.97 3n1q n GLY 65 Ca 0.07 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 3n1q n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3n1q s ARG 66 N -1.21 1.99 -0.15 1.61 3.52 -1.26 -4.67 118.95 118.77 3n1q s ARG 66 Ca 0.00 -0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 54.41 3n1q s ARG 66 Cb 0.00 -2.48 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 3n1q s ARG 66 CO 0.00 -0.46 1.09 0.08 -0.81 0.00 0.00 175.30 175.20 3n1q s VAL 67 N 1.37 4.58 0.30 7.11 1.01 0.10 -5.04 120.40 129.83 3n1q s VAL 67 Ca -0.02 1.88 0.06 0.00 0.00 0.00 0.00 61.98 63.90 3n1q s VAL 67 Cb -0.17 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3n1q s VAL 67 CO -0.08 -0.08 0.37 0.00 0.00 0.00 0.00 175.10 175.31 3n1q s ALA 68 N 2.70 3.99 0.46 5.51 0.00 -1.26 -4.85 121.76 128.31 3n1q s ALA 68 Ca 0.49 -1.43 0.18 0.00 0.00 0.00 0.00 51.96 51.20 3n1q s ALA 68 Cb -0.19 -1.54 1.17 0.00 0.00 0.00 0.00 23.12 22.56 3n1q s ALA 68 CO 0.14 0.09 2.04 -0.09 0.00 0.00 0.00 175.76 177.93 3n1q h ARG 69 N 1.12 0.00 0.00 0.00 2.43 -1.98 -2.39 114.38 113.56 3n1q h ARG 69 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3n1q h ARG 69 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3n1q h ARG 69 CO 0.57 0.15 -0.80 0.78 -1.51 0.00 0.00 179.97 179.16 3n1q h GLY 70 N 0.53 0.00 -1.02 2.80 0.00 -2.01 -3.47 103.07 99.90 3n1q h GLY 70 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 3n1q h GLY 70 CO 0.02 0.00 -0.15 -1.14 0.00 0.00 0.00 176.54 175.27 3n1q n SER 71 N -2.48 -3.31 0.00 0.19 3.41 -0.90 -4.95 113.62 105.58 3n1q n SER 71 Ca 0.01 -0.61 0.11 0.00 -0.26 0.00 0.00 58.87 58.12 3n1q n SER 71 Cb 0.51 -1.09 0.03 0.00 -0.26 0.00 0.00 64.21 63.40 3n1q n SER 71 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n1q n GLU 72 N -5.37 0.01 -0.01 4.33 -0.58 -1.26 -3.65 120.64 114.11 3n1q n GLU 72 Ca 0.09 -0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.96 3n1q n GLU 72 Cb 0.57 -1.50 0.50 0.00 -0.57 0.00 0.00 31.44 30.44 3n1q n GLU 72 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3n1q n ARG 73 N -1.51 1.68 0.04 3.49 1.74 -1.26 -3.77 116.66 117.06 3n1q n ARG 73 Ca 0.05 -0.99 -0.15 0.00 -0.77 0.00 0.00 57.85 55.98 3n1q n ARG 73 Cb 0.33 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 3n1q n ARG 73 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3n1q h PHE 74 N 2.33 0.35 0.00 -1.55 3.57 -1.78 -3.31 116.94 116.54 3n1q h PHE 74 Ca 0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3n1q h PHE 74 Cb 0.50 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3n1q h PHE 74 CO 0.02 1.35 0.00 0.54 -2.23 0.00 0.00 178.31 177.99 3n1q n ARG 75 N -3.37 0.02 0.08 1.11 1.74 -1.25 -1.30 116.66 113.69 3n1q n ARG 75 Ca -0.18 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.25 3n1q n ARG 75 Cb 1.04 -1.53 0.22 0.00 -1.02 0.00 0.00 32.46 31.17 3n1q n ARG 75 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3n1q h ASP 76 N 0.00 0.00 -3.42 0.55 3.32 -1.74 -3.45 116.42 111.68 3n1q h ASP 76 Ca 0.00 -0.14 -0.54 0.00 0.02 0.00 0.00 57.03 56.37 3n1q h ASP 76 Cb 0.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3n1q h ASP 76 CO 0.00 0.07 0.36 -0.76 -1.72 0.00 0.00 179.24 177.19 3n1q s LEU 77 N -4.44 4.38 -0.06 1.55 1.43 -0.42 -4.75 118.68 116.37 3n1q s LEU 77 Ca 0.07 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.86 3n1q s LEU 77 Cb 0.13 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 3n1q s LEU 77 CO 0.69 -0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 176.20 3n1q s VAL 78 N 0.92 3.02 0.01 -1.59 1.01 -0.90 -4.84 120.40 118.02 3n1q s VAL 78 Ca 0.51 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 3n1q s VAL 78 Cb -0.21 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3n1q s VAL 78 CO 0.28 0.58 1.25 -2.84 0.00 0.00 0.00 175.10 174.37 3n1q s PRO 79 N -0.58 4.37 -0.27 2.72 0.02 -1.26 -2.35 135.00 137.64 3n1q s PRO 79 Ca 0.08 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 62.72 3n1q s PRO 79 Cb -0.11 -3.46 -0.03 0.00 0.02 0.00 0.00 34.50 30.92 3n1q s PRO 79 CO 0.01 -0.40 0.47 1.21 -0.33 0.00 0.00 177.00 177.97 3n1q s ASN 80 N 1.38 6.36 -0.05 2.53 3.04 -0.66 -4.93 114.94 122.61 3n1q s ASN 80 Ca 0.59 0.38 0.12 0.00 0.04 0.00 0.00 52.86 53.99 3n1q s ASN 80 Cb -0.28 -2.26 0.37 0.00 -1.54 0.00 0.00 41.25 37.54 3n1q s ASN 80 CO 0.26 -0.28 1.31 -1.22 -3.04 0.00 0.00 177.10 174.13 3n1q n TYR 81 N 5.50 0.61 -1.52 0.43 4.01 -1.26 -4.73 117.16 120.20 3n1q n TYR 81 Ca -0.06 -0.60 -0.54 0.00 -0.16 0.00 0.00 57.90 56.55 3n1q n TYR 81 Cb 0.50 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 39.35 3n1q n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1q n ASN 82 N 0.28 2.13 0.28 7.72 2.85 -1.26 -4.82 115.26 122.44 3n1q n ASN 82 Ca 0.14 0.67 0.18 0.00 -0.11 0.00 0.00 54.58 55.47 3n1q n ASN 82 Cb 0.56 -1.19 0.84 0.00 1.24 0.00 0.00 39.78 41.23 3n1q n ASN 82 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3n1q h PRO 83 N 10.29 0.00 -0.02 1.20 0.11 -2.03 -1.99 132.00 139.57 3n1q h PRO 83 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3n1q h PRO 83 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3n1q h PRO 83 CO 1.01 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.55 3n1q n ASP 84 N -2.96 0.14 -4.07 -2.05 8.00 -1.26 -4.72 116.55 109.63 3n1q n ASP 84 Ca -0.01 -1.54 -0.24 0.00 0.71 0.00 0.00 54.79 53.72 3n1q n ASP 84 Cb 0.20 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.14 3n1q n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1q s ILE 85 N -1.98 1.15 -0.32 0.53 1.01 -0.75 -3.69 121.20 117.16 3n1q s ILE 85 Ca 0.24 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3n1q s ILE 85 Cb 0.11 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 3n1q s ILE 85 CO 0.18 0.34 0.41 -0.63 0.00 0.00 0.00 174.94 175.25 3n1q s ILE 86 N 0.16 5.12 -0.35 2.92 1.01 -0.05 -4.88 121.20 125.14 3n1q s ILE 86 Ca -0.05 0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 3n1q s ILE 86 Cb -0.11 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3n1q s ILE 86 CO 0.02 -0.05 0.28 -0.36 0.00 0.00 0.00 174.94 174.83 3n1q s PHE 87 N 2.15 3.23 0.14 3.97 0.08 -1.26 0.73 117.98 127.01 3n1q s PHE 87 Ca 0.15 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.70 3n1q s PHE 87 Cb -0.16 -2.54 -0.02 0.00 -0.57 0.00 0.00 43.02 39.73 3n1q s PHE 87 CO 0.12 -0.41 1.58 -0.22 -0.10 0.00 0.00 175.22 176.19 3n1q h LYS 88 N 8.51 -0.38 -6.54 0.44 3.64 -0.70 -3.46 116.57 118.09 3n1q h LYS 88 Ca -0.30 0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.59 3n1q h LYS 88 Cb 1.15 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 3n1q h LYS 88 CO 0.66 -0.25 -0.87 -3.47 -2.27 0.00 0.00 179.45 173.25 3n1q n ASP 89 N -5.42 -1.08 0.04 4.20 2.03 -1.26 -4.80 116.55 110.26 3n1q n ASP 89 Ca -0.02 -1.00 0.08 0.00 0.52 0.00 0.00 54.79 54.37 3n1q n ASP 89 Cb 0.35 -3.02 0.34 0.00 -0.72 0.00 0.00 41.12 38.07 3n1q n ASP 89 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3n1q n GLU 90 N -4.41 0.05 0.22 -0.67 0.00 -1.26 -0.66 120.64 113.91 3n1q n GLU 90 Ca -0.22 0.33 0.15 0.00 0.00 0.00 0.00 57.16 57.41 3n1q n GLU 90 Cb 0.64 -1.61 0.50 0.00 0.00 0.00 0.00 31.44 30.97 3n1q n GLU 90 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3n1q h GLU 91 N 0.00 0.00 -6.17 3.44 3.07 -1.99 -3.47 114.58 109.46 3n1q h GLU 91 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 3n1q h GLU 91 Cb 0.25 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3n1q h GLU 91 CO 0.00 0.00 -0.76 0.09 -1.40 0.00 0.00 179.01 176.94 3n1q n ASN 92 N -2.85 -4.20 0.00 1.42 3.02 0.17 -4.84 115.26 107.98 3n1q n ASN 92 Ca 0.02 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 3n1q n ASN 92 Cb 0.36 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 3n1q n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3n1q n SER 93 N -2.92 0.01 -0.93 6.41 3.41 -1.26 -5.02 113.62 113.32 3n1q n SER 93 Ca -0.05 -0.45 -0.12 0.00 -0.26 0.00 0.00 58.87 58.00 3n1q n SER 93 Cb 0.57 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 3n1q n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n1q n GLY 94 N 0.01 1.24 0.27 5.00 0.00 -1.26 -4.88 105.19 105.58 3n1q n GLY 94 Ca 0.00 -0.47 0.15 0.00 0.00 0.00 0.00 46.02 45.70 3n1q n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1q h ALA 95 N 0.02 1.14 -0.04 4.61 0.00 -1.96 -2.55 119.26 120.48 3n1q h ALA 95 Ca -0.25 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3n1q h ALA 95 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3n1q h ALA 95 CO 0.36 0.11 -0.51 -0.44 0.00 0.00 0.00 179.25 178.76 3n1q h ASP 96 N 0.00 0.12 0.11 0.00 3.32 -1.90 -2.90 116.42 115.18 3n1q h ASP 96 Ca -0.00 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 3n1q h ASP 96 Cb 0.37 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3n1q h ASP 96 CO 0.01 0.61 -0.41 0.03 -1.72 0.00 0.00 179.24 177.77 3n1q h ARG 97 N 0.09 0.38 -6.64 3.56 3.08 -1.74 -3.36 114.38 109.74 3n1q h ARG 97 Ca 0.00 -0.19 -0.52 0.00 0.07 0.00 0.00 59.98 59.34 3n1q h ARG 97 Cb 0.94 -0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.04 3n1q h ARG 97 CO 0.07 0.73 0.94 -0.51 -1.07 0.00 0.00 179.97 180.13 3n1q s LEU 98 N -8.37 4.37 0.27 3.04 1.43 -1.15 -1.65 118.68 116.62 3n1q s LEU 98 Ca -0.06 2.75 -0.20 0.00 -1.03 0.00 0.00 54.13 55.60 3n1q s LEU 98 Cb 0.13 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.81 3n1q s LEU 98 CO 0.79 -0.90 0.92 0.00 0.23 0.00 0.00 176.35 177.39 3n1q s MET 99 N 1.03 1.71 0.47 1.70 0.23 -0.99 -3.08 119.30 120.38 3n1q s MET 99 Ca 0.72 -1.09 -0.08 0.00 -1.03 0.00 0.00 55.69 54.21 3n1q s MET 99 Cb -0.47 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.27 3n1q s MET 99 CO 0.33 -0.80 0.81 0.95 -2.03 0.00 0.00 175.02 174.28 3n1q s THR 100 N -2.37 4.83 0.33 3.16 -4.23 -0.94 -2.13 115.64 114.30 3n1q s THR 100 Ca 0.18 0.45 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 3n1q s THR 100 Cb -0.04 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.27 3n1q s THR 100 CO 0.08 -0.76 1.94 -0.08 -0.54 0.00 0.00 174.62 175.26 3n1q h GLU 101 N 0.57 0.89 -0.07 3.99 4.57 -1.93 -1.44 114.58 121.16 3n1q h GLU 101 Ca -0.47 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3n1q h GLU 101 Cb 1.20 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3n1q h GLU 101 CO 0.62 0.59 0.02 -0.09 -1.18 0.00 0.00 179.01 178.98 3n1q h ARG 102 N 0.92 0.10 -0.14 1.92 2.43 -1.93 -3.13 114.38 114.55 3n1q h ARG 102 Ca 0.34 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.54 3n1q h ARG 102 Cb 0.18 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3n1q h ARG 102 CO -0.12 0.25 -0.27 0.00 -1.51 0.00 0.00 179.97 178.33 3n1q h LYS 104 N -0.33 -0.31 -0.88 0.00 1.57 -1.30 -0.29 116.57 115.03 3n1q h LYS 104 Ca 0.10 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.08 3n1q h LYS 104 Cb 0.49 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.70 3n1q h LYS 104 CO -0.33 -0.20 -0.23 0.93 -0.57 0.00 0.00 179.45 179.04 3n1q h GLU 105 N -0.32 -0.01 -0.02 3.15 5.08 -1.46 0.22 114.58 121.23 3n1q h GLU 105 Ca 0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.31 3n1q h GLU 105 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3n1q h GLU 105 CO -0.60 -0.00 -0.80 0.00 -1.00 0.00 0.00 179.01 176.61 3n1q h ARG 106 N -0.01 0.23 0.43 2.33 3.08 -1.34 -1.44 114.38 117.67 3n1q h ARG 106 Ca 0.42 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3n1q h ARG 106 Cb 0.64 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3n1q h ARG 106 CO -0.91 0.92 -0.21 0.28 -1.07 0.00 0.00 179.97 178.98 3n1q h VAL 107 N 0.14 0.58 -1.00 2.04 2.07 0.10 0.18 116.25 120.36 3n1q h VAL 107 Ca -0.04 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3n1q h VAL 107 Cb 1.40 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 3n1q h VAL 107 CO 0.12 0.01 0.65 0.78 0.02 0.00 0.00 177.57 179.16 3n1q h ASN 108 N -0.61 1.09 0.20 0.57 2.35 -0.76 0.25 115.58 118.67 3n1q h ASN 108 Ca -0.06 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3n1q h ASN 108 Cb 0.46 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3n1q h ASN 108 CO 0.10 0.74 -0.13 0.00 -1.65 0.00 0.00 177.43 176.49 3n1q h ALA 109 N 1.41 -0.31 -0.55 -0.83 0.00 -0.98 -1.72 119.26 116.27 3n1q h ALA 109 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3n1q h ALA 109 Cb 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3n1q h ALA 109 CO -0.13 -0.69 0.36 1.25 0.00 0.00 0.00 179.25 180.04 3n1q h LEU 110 N -0.33 0.64 -1.37 0.00 5.85 -0.20 -1.37 115.31 118.54 3n1q h LEU 110 Ca -0.02 -0.03 0.22 0.00 0.84 0.00 0.00 57.88 58.89 3n1q h LEU 110 Cb 0.28 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3n1q h LEU 110 CO 0.01 0.48 0.62 0.00 -0.34 0.00 0.00 178.44 179.21 3n1q h ALA 111 N 1.19 2.10 -0.02 1.25 0.00 -0.21 0.36 119.26 123.93 3n1q h ALA 111 Ca 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3n1q h ALA 111 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3n1q h ALA 111 CO -0.04 -0.43 -0.14 0.82 0.00 0.00 0.00 179.25 179.46 3n1q h ILE 112 N 0.48 1.52 -0.86 0.00 2.04 -0.57 -3.06 117.51 117.06 3n1q h ILE 112 Ca 0.52 -1.72 0.03 0.00 1.00 0.00 0.00 64.86 64.70 3n1q h ILE 112 Cb 1.19 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 39.81 3n1q h ILE 112 CO -0.25 0.46 0.57 0.00 0.00 0.00 0.00 178.15 178.93 3n1q h ALA 113 N 0.33 1.46 0.71 1.87 0.00 -0.06 -1.63 119.26 121.94 3n1q h ALA 113 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3n1q h ALA 113 Cb 0.83 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3n1q h ALA 113 CO 0.03 0.46 -0.34 0.28 0.00 0.00 0.00 179.25 179.68 3n1q h VAL 114 N 1.08 0.22 -0.93 0.00 2.07 -0.45 0.11 116.25 118.34 3n1q h VAL 114 Ca 0.34 -0.18 0.17 0.00 0.82 0.00 0.00 66.70 67.85 3n1q h VAL 114 Cb 0.02 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 29.97 3n1q h VAL 114 CO -0.10 0.02 0.60 0.24 0.02 0.00 0.00 177.57 178.34 3n1q h MET 115 N -1.09 0.66 -0.27 1.57 2.86 -1.41 0.38 114.93 117.63 3n1q h MET 115 Ca -0.10 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 3n1q h MET 115 Cb 0.75 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3n1q h MET 115 CO 0.16 0.43 -0.08 -0.97 1.06 0.00 0.00 176.91 177.51 3n1q h ASN 116 N 0.67 0.54 -0.05 1.22 -0.00 -1.10 -3.09 115.58 113.78 3n1q h ASN 116 Ca 0.49 -0.37 -0.00 0.00 -0.00 0.00 0.00 56.30 56.41 3n1q h ASN 116 Cb 0.84 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 39.01 3n1q h ASN 116 CO -0.24 0.79 0.01 -0.03 -0.00 0.00 0.00 177.43 177.96 3n1q h MET 117 N 0.29 0.07 -4.67 6.67 4.05 0.96 -3.40 114.93 118.89 3n1q h MET 117 Ca 0.07 -0.02 -0.64 0.00 -0.28 0.00 0.00 59.70 58.83 3n1q h MET 117 Cb 0.56 -0.01 -0.37 0.00 -0.80 0.00 0.00 31.60 30.98 3n1q h MET 117 CO 0.03 0.29 -0.81 -1.58 0.23 0.00 0.00 176.91 175.07 3n1q s TRP 118 N -5.24 2.70 0.36 1.39 0.51 0.12 -5.09 118.94 113.69 3n1q s TRP 118 Ca -0.14 -1.84 -0.27 0.00 -2.12 0.00 0.00 56.10 51.72 3n1q s TRP 118 Cb 0.05 -1.74 -0.09 0.00 -0.81 0.00 0.00 33.47 30.87 3n1q s TRP 118 CO 0.68 -0.80 1.26 -2.14 -0.51 0.00 0.00 176.95 175.44 3n1q s PRO 119 N 1.30 4.20 -0.99 4.98 0.02 -1.17 -2.85 135.00 140.49 3n1q s PRO 119 Ca -0.04 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3n1q s PRO 119 Cb -0.17 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3n1q s PRO 119 CO -0.07 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 3n1q n GLY 120 N 0.76 1.04 2.66 0.52 0.00 -1.26 -4.99 105.19 103.92 3n1q n GLY 120 Ca 0.02 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 3n1q n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1q s VAL 121 N -2.36 -0.14 0.32 1.61 1.01 -1.13 -4.97 120.40 114.75 3n1q s VAL 121 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3n1q s VAL 121 Cb 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3n1q s VAL 121 CO 0.00 -0.11 0.29 0.00 0.00 0.00 0.00 175.10 175.28 3n1q s ARG 122 N 2.18 2.79 0.32 2.72 1.70 -1.26 -3.41 118.95 123.99 3n1q s ARG 122 Ca 0.03 -1.23 -0.29 0.00 -0.47 0.00 0.00 55.73 53.78 3n1q s ARG 122 Cb -0.14 -2.52 -0.10 0.00 -0.57 0.00 0.00 34.95 31.62 3n1q s ARG 122 CO -0.07 0.15 1.23 -1.17 -1.08 0.00 0.00 175.30 174.36 3n1q s LEU 123 N -3.98 4.45 -0.11 -1.89 2.96 -1.24 -1.92 118.68 116.95 3n1q s LEU 123 Ca 0.40 2.53 0.03 0.00 -0.22 0.00 0.00 54.13 56.87 3n1q s LEU 123 Cb -0.06 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3n1q s LEU 123 CO 0.27 -0.43 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.04 3n1q s ARG 124 N -1.73 2.98 -0.21 1.98 3.52 -0.16 -0.87 118.95 124.45 3n1q s ARG 124 Ca 0.48 -0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 55.15 3n1q s ARG 124 Cb -0.37 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 3n1q s ARG 124 CO 0.48 0.11 0.08 0.08 -0.81 0.00 0.00 175.30 175.24 3n1q s VAL 125 N 0.51 4.76 -0.89 7.11 1.01 0.22 -0.41 120.40 132.72 3n1q s VAL 125 Ca -0.15 -0.03 0.13 0.00 0.00 0.00 0.00 61.98 61.93 3n1q s VAL 125 Cb -0.17 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 3n1q s VAL 125 CO 0.05 0.40 0.65 0.35 0.00 0.00 0.00 175.10 176.55 3n1q n THR 126 N 4.11 0.00 -3.20 3.92 -2.24 0.14 0.07 114.28 117.08 3n1q n THR 126 Ca -0.16 -0.25 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 3n1q n THR 126 Cb 0.52 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 3n1q n THR 126 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3n1q s GLU 127 N -2.03 0.38 0.00 -0.78 0.41 -1.18 -4.81 118.70 110.70 3n1q s GLU 127 Ca 0.08 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 3n1q s GLU 127 Cb 0.10 0.41 0.00 0.00 -1.78 0.00 0.00 34.13 32.86 3n1q s GLU 127 CO 0.47 -0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 3n1q n GLY 128 N 5.41 0.53 3.69 -1.39 0.00 -1.26 -0.91 105.19 111.26 3n1q n GLY 128 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3n1q n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1q s TRP 129 N 2.91 2.85 0.01 1.61 -0.00 -1.10 -4.76 118.94 120.45 3n1q s TRP 129 Ca 0.00 0.83 0.02 0.00 -0.00 0.00 0.00 56.10 56.95 3n1q s TRP 129 Cb 0.00 -3.65 -0.04 0.00 -0.00 0.00 0.00 33.47 29.78 3n1q s TRP 129 CO 0.00 -2.40 -0.02 0.34 -0.00 0.00 0.00 176.95 174.88 3n1q s ASP 130 N 1.89 4.99 0.00 5.86 2.15 -0.62 -4.19 116.67 126.76 3n1q s ASP 130 Ca 0.63 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.55 3n1q s ASP 130 Cb -0.31 -1.26 0.00 0.00 -0.30 0.00 0.00 42.92 41.06 3n1q s ASP 130 CO 0.26 0.27 0.38 -1.84 -0.17 0.00 0.00 175.17 174.07 3n1q n GLU 131 N 1.35 0.23 0.09 4.34 0.28 -1.26 -4.60 120.64 121.06 3n1q n GLU 131 Ca -0.14 -0.46 -0.05 0.00 -0.16 0.00 0.00 57.16 56.35 3n1q n GLU 131 Cb 0.53 -0.68 0.00 0.00 1.43 0.00 0.00 31.44 32.72 3n1q n GLU 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1q h ASP 132 N 0.00 0.01 0.00 -1.84 3.32 -2.00 -3.48 116.42 112.42 3n1q h ASP 132 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3n1q h ASP 132 Cb 0.53 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3n1q h ASP 132 CO 0.00 0.84 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 3n1q n GLY 133 N 0.88 0.38 0.43 2.75 0.00 -1.26 -4.94 105.19 103.43 3n1q n GLY 133 Ca -0.01 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.19 3n1q n GLY 133 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n1q n HIS 134 N -3.65 0.00 -2.16 1.61 1.44 -1.26 -4.92 115.22 106.27 3n1q n HIS 134 Ca 0.00 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.44 3n1q n HIS 134 Cb 0.33 -0.05 0.05 0.00 0.12 0.00 0.00 29.99 30.44 3n1q n HIS 134 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3n1q s HIS 135 N -2.30 3.13 1.43 -1.40 3.76 -1.26 -5.07 115.29 113.58 3n1q s HIS 135 Ca 0.28 0.69 -0.22 0.00 -0.15 0.00 0.00 55.06 55.65 3n1q s HIS 135 Cb 0.20 -3.04 0.37 0.00 1.11 0.00 0.00 32.58 31.22 3n1q s HIS 135 CO 0.45 -1.19 0.91 0.00 -0.85 0.00 0.00 174.74 174.06 3n1q s ALA 136 N -3.22 -0.93 0.11 -1.40 0.00 -1.26 -4.91 121.76 110.15 3n1q s ALA 136 Ca 0.58 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 51.51 3n1q s ALA 136 Cb -0.11 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 3n1q s ALA 136 CO 0.47 -4.69 1.26 -0.65 0.00 0.00 0.00 175.76 172.16 3n1q s GLN 137 N -4.96 4.40 0.00 0.00 -0.21 -1.26 -2.97 119.66 114.67 3n1q s GLN 137 Ca 0.68 1.90 0.00 0.00 0.02 0.00 0.00 55.36 57.96 3n1q s GLN 137 Cb -0.15 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.57 3n1q s GLN 137 CO 0.59 -0.29 0.00 -0.25 -2.12 0.00 0.00 175.29 173.22 3n1q n ASP 138 N 3.63 -1.96 -4.43 5.90 8.00 -1.26 -4.92 116.55 121.50 3n1q n ASP 138 Ca 0.09 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 55.12 3n1q n ASP 138 Cb 0.45 -1.91 -0.02 0.00 -0.02 0.00 0.00 41.12 39.61 3n1q n ASP 138 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3n1q n SER 139 N -0.25 -0.89 0.24 -2.24 2.88 -1.16 -4.75 113.62 107.45 3n1q n SER 139 Ca 0.00 1.11 0.16 0.00 -1.33 0.00 0.00 58.87 58.81 3n1q n SER 139 Cb 0.13 -1.01 0.79 0.00 -0.75 0.00 0.00 64.21 63.36 3n1q n SER 139 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3n1q h LEU 140 N 1.12 0.00 -2.44 2.46 3.38 -1.92 -1.62 115.31 116.29 3n1q h LEU 140 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3n1q h LEU 140 Cb 1.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 3n1q h LEU 140 CO 0.57 0.00 -0.03 0.45 0.09 0.00 0.00 178.44 179.52 3n1q h HIS 141 N 0.00 0.00 -0.14 1.13 3.86 -1.86 -1.02 115.15 117.12 3n1q h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3n1q h HIS 141 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3n1q h HIS 141 CO 0.00 0.03 0.00 0.66 0.86 0.00 0.00 177.93 179.48 3n1q n TYR 142 N -3.49 0.24 -0.86 2.45 4.01 -0.61 -1.58 117.16 117.32 3n1q n TYR 142 Ca -0.02 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3n1q n TYR 142 Cb 0.13 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3n1q n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3n1q n GLU 143 N -0.03 0.36 -1.69 -0.72 1.02 -0.42 -0.72 120.64 118.45 3n1q n GLU 143 Ca 0.05 -0.59 -0.17 0.00 -0.02 0.00 0.00 57.16 56.43 3n1q n GLU 143 Cb 0.19 -0.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.98 3n1q n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1q n GLY 144 N -0.06 1.21 1.03 0.62 0.00 -1.18 -4.68 105.19 102.14 3n1q n GLY 144 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.90 3n1q n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1q n ARG 145 N -2.54 3.20 -3.78 1.61 1.74 -0.99 -2.20 116.66 113.69 3n1q n ARG 145 Ca -0.18 -2.60 -0.13 0.00 -0.77 0.00 0.00 57.85 54.18 3n1q n ARG 145 Cb 0.58 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 30.24 3n1q n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1q s ALA 146 N -1.91 -0.68 -0.04 7.54 0.00 -1.24 -1.61 121.76 123.82 3n1q s ALA 146 Ca 0.39 0.74 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3n1q s ALA 146 Cb 0.26 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3n1q s ALA 146 CO 0.16 -0.14 -0.08 -0.51 0.00 0.00 0.00 175.76 175.19 3n1q s LEU 147 N 0.02 1.65 -0.36 0.00 1.43 0.20 -4.43 118.68 117.20 3n1q s LEU 147 Ca -0.01 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 3n1q s LEU 147 Cb -0.02 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.64 3n1q s LEU 147 CO 0.01 0.03 0.58 -1.81 0.23 0.00 0.00 176.35 175.39 3n1q s ASP 148 N 0.44 6.37 0.17 2.29 1.01 -0.08 -1.56 116.67 125.31 3n1q s ASP 148 Ca -0.07 0.03 0.11 0.00 0.71 0.00 0.00 52.55 53.32 3n1q s ASP 148 Cb -0.11 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3n1q s ASP 148 CO 0.01 -0.56 -0.23 0.27 0.21 0.00 0.00 175.17 174.87 3n1q s ILE 149 N 2.58 2.45 0.00 0.77 -4.36 0.20 0.26 121.20 123.11 3n1q s ILE 149 Ca 0.22 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3n1q s ILE 149 Cb -0.15 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.41 3n1q s ILE 149 CO 0.14 -0.04 0.00 0.35 0.24 0.00 0.00 174.94 175.63 3n1q n THR 150 N 0.45 0.00 -3.48 8.37 -2.24 0.45 -1.19 114.28 116.65 3n1q n THR 150 Ca -0.14 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 3n1q n THR 150 Cb 0.55 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3n1q n THR 150 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3n1q s THR 151 N -2.16 4.16 0.24 4.28 -4.23 -1.26 -0.99 115.64 115.68 3n1q s THR 151 Ca 0.00 -0.97 0.30 0.00 -1.18 0.00 0.00 61.69 59.84 3n1q s THR 151 Cb 0.00 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.71 3n1q s THR 151 CO 0.00 -0.18 1.98 0.77 -0.54 0.00 0.00 174.62 176.66 3n1q h SER 152 N 0.89 0.00 -0.67 3.99 4.64 -1.70 -2.43 113.55 118.27 3n1q h SER 152 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3n1q h SER 152 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3n1q h SER 152 CO 0.53 0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 3n1q n ASP 153 N -3.33 4.40 -4.36 4.97 5.68 -1.26 -4.96 116.55 117.70 3n1q n ASP 153 Ca -0.00 -2.27 -0.38 0.00 -0.50 0.00 0.00 54.79 51.64 3n1q n ASP 153 Cb 0.31 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 39.70 3n1q n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n1q n ARG 154 N 1.28 -1.86 -2.92 0.11 3.00 -0.91 -4.89 116.66 110.47 3n1q n ARG 154 Ca 0.25 0.24 -0.42 0.00 -0.01 0.00 0.00 57.85 57.91 3n1q n ARG 154 Cb 0.78 -4.72 -0.05 0.00 0.00 0.00 0.00 32.46 28.47 3n1q n ARG 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1q s ASP 155 N -3.48 6.54 0.28 0.55 2.15 -1.26 -4.93 116.67 116.52 3n1q s ASP 155 Ca 0.65 0.27 -0.01 0.00 0.43 0.00 0.00 52.55 53.89 3n1q s ASP 155 Cb -0.37 -2.41 0.41 0.00 -0.30 0.00 0.00 42.92 40.25 3n1q s ASP 155 CO 0.98 -0.82 1.83 0.03 -0.17 0.00 0.00 175.17 177.02 3n1q h ARG 156 N 8.65 0.83 0.00 4.34 2.47 -1.91 -2.48 114.38 126.29 3n1q h ARG 156 Ca -0.24 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 3n1q h ARG 156 Cb 1.09 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3n1q h ARG 156 CO 0.95 0.74 -0.07 -0.91 0.56 0.00 0.00 179.97 181.24 3n1q h ASN 157 N 0.80 0.00 1.18 7.04 2.35 -1.95 -2.26 115.58 122.75 3n1q h ASN 157 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3n1q h ASN 157 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3n1q h ASN 157 CO -0.00 0.07 -0.17 0.29 -1.65 0.00 0.00 177.43 175.96 3n1q n LYS 158 N -3.60 0.20 -0.10 0.81 5.02 -0.93 -3.88 118.16 115.67 3n1q n LYS 158 Ca -0.02 0.13 -0.04 0.00 -2.02 0.00 0.00 58.31 56.36 3n1q n LYS 158 Cb 0.18 -1.70 0.17 0.00 -0.02 0.00 0.00 35.03 33.65 3n1q n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1q h TYR 159 N 0.00 0.83 -0.14 2.13 0.05 -1.48 -0.15 116.97 118.21 3n1q h TYR 159 Ca 0.00 -0.12 0.05 0.00 0.05 0.00 0.00 58.73 58.71 3n1q h TYR 159 Cb 0.68 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 3n1q h TYR 159 CO 0.00 0.77 -0.29 0.78 -1.05 0.00 0.00 178.16 178.37 3n1q h GLY 160 N 0.97 -0.37 1.00 3.88 0.00 -1.75 0.02 103.07 106.82 3n1q h GLY 160 Ca 0.14 0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 3n1q h GLY 160 CO 0.02 -0.21 0.14 1.41 0.00 0.00 0.00 176.54 177.89 3n1q h LEU 161 N -0.36 0.85 -0.66 3.11 3.38 -1.73 -1.82 115.31 118.08 3n1q h LEU 161 Ca 0.10 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 57.95 3n1q h LEU 161 Cb 0.52 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3n1q h LEU 161 CO -0.34 0.86 0.24 0.25 0.09 0.00 0.00 178.44 179.54 3n1q h LEU 162 N 0.80 0.22 -0.12 1.67 5.85 -0.34 0.19 115.31 123.58 3n1q h LEU 162 Ca 0.18 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.02 3n1q h LEU 162 Cb 0.34 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3n1q h LEU 162 CO 0.00 0.11 -0.13 0.00 -0.34 0.00 0.00 178.44 178.08 3n1q h ALA 163 N 1.47 -0.06 -0.42 1.25 0.00 -0.93 0.16 119.26 120.74 3n1q h ALA 163 Ca 0.34 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.35 3n1q h ALA 163 Cb 0.46 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3n1q h ALA 163 CO -0.35 -0.59 0.13 -0.09 0.00 0.00 0.00 179.25 178.35 3n1q h ARG 164 N -0.17 0.27 0.00 0.00 9.65 -1.08 0.29 114.38 123.35 3n1q h ARG 164 Ca 0.09 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3n1q h ARG 164 Cb 0.29 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3n1q h ARG 164 CO -0.22 0.18 -0.05 -0.07 2.80 0.00 0.00 179.97 182.62 3n1q h LEU 165 N 0.28 0.00 -0.66 3.80 3.38 -0.10 0.29 115.31 122.30 3n1q h LEU 165 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3n1q h LEU 165 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3n1q h LEU 165 CO -0.22 0.05 -0.67 0.00 0.09 0.00 0.00 178.44 177.69 3n1q h ALA 166 N 1.95 0.88 -0.21 1.53 0.00 0.13 -1.37 119.26 122.17 3n1q h ALA 166 Ca -0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3n1q h ALA 166 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3n1q h ALA 166 CO 0.01 0.83 -0.35 0.28 0.00 0.00 0.00 179.25 180.01 3n1q h VAL 167 N 0.02 1.33 0.00 0.00 2.07 0.32 -3.04 116.25 116.94 3n1q h VAL 167 Ca -0.01 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 3n1q h VAL 167 Cb 1.18 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3n1q h VAL 167 CO 0.09 0.49 -0.31 -0.33 0.02 0.00 0.00 177.57 177.52 3n1q h GLU 168 N 0.30 0.00 -0.81 1.57 4.39 -1.24 -2.88 114.58 115.90 3n1q h GLU 168 Ca 0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3n1q h GLU 168 Cb 0.95 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 3n1q h GLU 168 CO 0.08 0.31 0.42 0.00 -1.16 0.00 0.00 179.01 178.66 3n1q h ALA 169 N 1.69 1.21 0.00 3.43 0.00 -1.14 -3.47 119.26 120.98 3n1q h ALA 169 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n1q h ALA 169 Cb 0.63 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3n1q h ALA 169 CO 0.04 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3n1q n GLY 170 N -1.11 0.95 3.56 0.00 0.00 -1.09 -4.78 105.19 102.72 3n1q n GLY 170 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 3n1q n GLY 170 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3n1q n PHE 171 N 0.00 1.11 0.91 1.61 3.72 -1.18 -4.83 117.46 118.80 3n1q n PHE 171 Ca 0.00 0.73 0.13 0.00 -0.05 0.00 0.00 57.45 58.25 3n1q n PHE 171 Cb 0.00 -2.24 0.56 0.00 -0.94 0.00 0.00 39.48 36.86 3n1q n PHE 171 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3n1q n ASP 172 N 1.90 0.00 -3.60 4.37 8.00 -0.98 -4.70 116.55 121.55 3n1q n ASP 172 Ca 0.15 0.49 -0.02 0.00 0.71 0.00 0.00 54.79 56.12 3n1q n ASP 172 Cb 0.24 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 3n1q n ASP 172 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3n1q s TRP 173 N -2.99 -1.01 -0.04 1.24 -0.00 -1.14 -4.18 118.94 110.81 3n1q s TRP 173 Ca 0.13 1.85 0.05 0.00 -0.00 0.00 0.00 56.10 58.13 3n1q s TRP 173 Cb 0.17 0.61 -0.01 0.00 -0.00 0.00 0.00 33.47 34.24 3n1q s TRP 173 CO 0.48 -0.50 -0.18 0.08 -0.00 0.00 0.00 176.95 176.83 3n1q s VAL 174 N 2.22 1.48 -0.05 5.86 1.01 -0.42 -1.21 120.40 129.30 3n1q s VAL 174 Ca -0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3n1q s VAL 174 Cb -0.08 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3n1q s VAL 174 CO -0.18 0.43 0.07 -0.47 0.00 0.00 0.00 175.10 174.95 3n1q s TYR 175 N -0.04 0.04 -0.91 5.22 5.04 0.58 -0.72 117.35 126.56 3n1q s TYR 175 Ca -0.02 0.28 -0.18 0.00 -2.44 0.00 0.00 57.07 54.70 3n1q s TYR 175 Cb -0.11 -0.46 -0.11 0.00 0.35 0.00 0.00 41.96 41.62 3n1q s TYR 175 CO 0.02 -0.21 2.02 0.98 -1.34 0.00 0.00 175.55 177.01 3n1q n TYR 176 N 5.30 2.06 0.18 4.97 4.19 -0.68 -0.40 117.16 132.78 3n1q n TYR 176 Ca -0.03 -2.03 -0.09 0.00 3.31 0.00 0.00 57.90 59.06 3n1q n TYR 176 Cb 0.50 -1.84 -0.05 0.00 0.49 0.00 0.00 39.34 38.44 3n1q n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3n1q h GLU 177 N 7.33 -0.51 -6.27 2.98 4.81 -1.88 -2.29 114.58 118.76 3n1q h GLU 177 Ca 0.46 0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 59.15 3n1q h GLU 177 Cb 0.59 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.98 3n1q h GLU 177 CO 1.88 -0.34 -0.64 0.45 -0.73 0.00 0.00 179.01 179.62 3n1q s SER 178 N -3.11 4.70 0.00 1.04 0.15 -1.13 -4.66 113.70 110.68 3n1q s SER 178 Ca -0.09 -0.51 0.14 0.00 0.70 0.00 0.00 55.95 56.19 3n1q s SER 178 Cb 0.02 -0.95 0.80 0.00 -1.71 0.00 0.00 66.02 64.18 3n1q s SER 178 CO 0.28 0.04 1.31 0.54 1.20 0.00 0.00 173.24 176.60 3n1q n ARG 179 N -0.56 0.36 0.00 5.44 1.74 -1.26 -2.45 116.66 119.92 3n1q n ARG 179 Ca -0.08 0.06 0.04 0.00 -0.77 0.00 0.00 57.85 57.09 3n1q n ARG 179 Cb 0.57 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 3n1q n ARG 179 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3n1q n ASN 180 N -1.10 0.87 -3.73 0.55 3.02 -1.26 -4.91 115.26 108.70 3n1q n ASN 180 Ca 0.09 -0.94 -0.03 0.00 -0.03 0.00 0.00 54.58 53.67 3n1q n ASN 180 Cb 0.07 0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.82 3n1q n ASN 180 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3n1q s HIS 181 N -1.27 -0.13 0.18 3.10 -3.43 -1.03 -4.90 115.29 107.82 3n1q s HIS 181 Ca 0.05 -0.15 0.11 0.00 -0.80 0.00 0.00 55.06 54.28 3n1q s HIS 181 Cb 0.06 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 3n1q s HIS 181 CO 0.21 -0.75 -0.24 0.08 -2.00 0.00 0.00 174.74 172.04 3n1q s VAL 182 N -3.18 2.36 -0.13 -5.38 1.01 -0.33 -2.84 120.40 111.91 3n1q s VAL 182 Ca 0.12 -1.97 0.01 0.00 0.00 0.00 0.00 61.98 60.14 3n1q s VAL 182 Cb -0.01 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3n1q s VAL 182 CO 0.01 -0.08 -0.18 -2.28 0.00 0.00 0.00 175.10 172.58 3n1q s HIS 183 N -1.56 2.71 -0.04 5.22 2.46 0.46 -0.63 115.29 123.92 3n1q s HIS 183 Ca 0.20 -0.90 0.02 0.00 0.47 0.00 0.00 55.06 54.85 3n1q s HIS 183 Cb -0.08 -1.81 0.01 0.00 -0.13 0.00 0.00 32.58 30.57 3n1q s HIS 183 CO 0.09 -0.36 -0.09 0.14 -2.47 0.00 0.00 174.74 172.05 3n1q s VAL 184 N 0.46 0.86 0.17 0.89 -7.23 -0.60 -0.31 120.40 114.65 3n1q s VAL 184 Ca -0.12 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 3n1q s VAL 184 Cb -0.16 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 3n1q s VAL 184 CO 0.05 0.28 -0.05 -0.94 -0.31 0.00 0.00 175.10 174.13 3n1q s SER 185 N 0.45 1.63 0.15 4.85 1.04 -0.35 -0.63 113.70 120.84 3n1q s SER 185 Ca -0.08 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.30 3n1q s SER 185 Cb -0.12 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 3n1q s SER 185 CO 0.01 -0.44 -0.09 0.68 0.98 0.00 0.00 173.24 174.38 3n1q s VAL 186 N -3.44 1.13 0.87 5.02 -7.23 -0.63 -2.32 120.40 113.79 3n1q s VAL 186 Ca 0.21 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 3n1q s VAL 186 Cb 0.04 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 35.24 3n1q s VAL 186 CO 0.03 -0.74 1.09 -0.54 -0.31 0.00 0.00 175.10 174.63 3n1q s LYS 187 N -3.76 1.50 0.34 4.82 1.02 -1.26 -4.83 119.74 117.57 3n1q s LYS 187 Ca 0.17 0.85 -0.26 0.00 0.02 0.00 0.00 55.97 56.75 3n1q s LYS 187 Cb 0.03 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 3n1q s LYS 187 CO 0.00 -2.08 1.02 0.00 -0.92 0.00 0.00 175.35 173.38 3n1q s ALA 188 N -2.95 3.22 -2.00 5.17 0.00 -1.26 -4.89 121.76 119.04 3n1q s ALA 188 Ca 0.63 0.69 0.07 0.00 0.00 0.00 0.00 51.96 53.35 3n1q s ALA 188 Cb -0.17 -3.26 0.40 0.00 0.00 0.00 0.00 23.12 20.08 3n1q s ALA 188 CO 0.56 -0.06 0.86 -0.25 0.00 0.00 0.00 175.76 176.87